data_1i9f_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 1i9f _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 ' 201' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.427 0 CA-C-O 119.269 -0.396 . . . . 0.0 109.97 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 202' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 46.15 76.71 0.09 Allowed 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 130.561 3.544 . . . . 0.0 113.002 164.11 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 203' ' ' GLY . . . . . . . . . . . . . . . -159.25 83.57 0.13 Allowed Glycine 0 C--N 1.335 0.509 0 O-C-N 121.613 -0.68 . . . . 0.0 111.879 -178.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 2.2 m -122.75 -121.49 0.28 Allowed 'General case' 0 N--CA 1.429 -1.506 0 C-N-CA 126.504 1.922 . . . . 0.0 106.234 168.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 205' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -139.35 77.34 29.8 Favored Pre-proline 0 N--CA 1.469 0.514 0 CA-C-N 120.614 1.552 . . . . 0.0 108.464 174.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 206' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -77.73 33.55 0.45 Allowed 'Trans proline' 0 CA--C 1.545 1.061 0 C-N-CA 122.463 2.109 . . . . 0.0 111.818 174.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 207' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.07 126.72 28.95 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 126.093 1.757 . . . . 0.0 108.082 -167.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . -42.78 -64.92 1.51 Allowed Glycine 0 CA--C 1.526 0.776 0 CA-C-N 120.391 1.45 . . . . 0.0 113.371 -160.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 209' ' ' ALA . . . . . . . . . . . . . . . -63.66 -24.36 67.75 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 -177.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -83.35 -40.0 20.01 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 119.188 0.904 . . . . 0.0 110.113 178.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -36.89 79.59 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-O 117.307 -1.33 . . . . 0.0 108.403 176.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 212' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -43.11 -46.24 5.72 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 125.482 1.513 . . . . 0.0 112.371 174.017 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 213' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -65.26 -31.88 73.25 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 122.858 0.463 . . . . 0.0 112.059 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 10.6 ttm-85 -79.94 -38.1 33.12 Favored 'General case' 0 C--O 1.225 -0.19 0 C-N-CA 124.04 0.936 . . . . 0.0 111.601 173.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 215' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -57.06 -48.19 79.15 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 119.569 1.077 . . . . 0.0 108.188 175.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 216' ' ' ALA . . . . . . . . . . . . . . . -67.15 14.23 0.05 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.642 1.977 . . . . 0.0 114.741 170.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -108.62 -21.3 12.76 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 120.164 1.347 . . . . 0.0 111.882 164.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -64.98 -49.18 71.29 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 119.223 0.919 . . . . 0.0 109.951 170.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.166 0 C-N-CA 125.313 1.445 . . . . 0.0 110.21 177.958 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 201' ' ' ARG . . . . . . . . . . . . . 87.9 mtt-85 . . . . . 0 N--CA 1.467 0.418 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 202' ' ' ARG . . . . . . . . . . . . . 16.0 ttp85 56.54 30.63 17.57 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.874 1.27 . . . . 0.0 112.45 170.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 203' ' ' GLY . . . . . . . . . . . . . . . -66.69 8.36 1.18 Allowed Glycine 0 CA--C 1.536 1.346 0 C-N-CA 124.557 1.075 . . . . 0.0 114.636 178.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 8.3 t -135.59 75.41 1.56 Allowed 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 119.588 1.694 . . . . 0.0 107.286 177.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 205' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.34 126.78 93.04 Favored Pre-proline 0 C--O 1.237 0.425 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 167.109 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 206' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -73.23 164.35 35.56 Favored 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 122.076 1.85 . . . . 0.0 109.883 173.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 207' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.25 131.19 55.3 Favored 'General case' 0 N--CA 1.431 -1.412 0 N-CA-C 105.366 -2.086 . . . . 0.0 105.366 163.329 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . -53.95 -63.16 5.39 Favored Glycine 0 CA--C 1.523 0.535 0 CA-C-N 118.982 0.81 . . . . 0.0 112.942 -159.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 209' ' ' ALA . . . . . . . . . . . . . . . -74.36 -12.77 60.62 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -76.48 -24.76 53.82 Favored 'General case' 0 C--O 1.237 0.444 0 O-C-N 120.627 -1.296 . . . . 0.0 111.471 174.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -61.01 -26.55 67.69 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.73 -0.606 . . . . 0.0 111.152 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 212' ' ' ARG . . . . . . . . . . . . . 21.4 mtt180 -58.63 -31.85 68.51 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 125.092 1.357 . . . . 0.0 112.483 171.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 213' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -77.79 -28.39 50.43 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 119.461 1.028 . . . . 0.0 110.835 174.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.6 -31.6 68.21 Favored 'General case' 0 N--CA 1.463 0.199 0 O-C-N 121.48 -0.762 . . . . 0.0 110.562 173.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 215' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -58.56 -48.5 80.69 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 118.693 0.679 . . . . 0.0 109.881 177.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 216' ' ' ALA . . . . . . . . . . . . . . . -66.53 -29.5 69.6 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -75.09 -31.61 61.25 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 126.388 1.875 . . . . 0.0 111.722 178.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -73.38 -40.5 64.28 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 124.537 1.135 . . . . 0.0 110.628 169.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.257 1.456 0 C-N-CA 127.066 2.146 . . . . 0.0 112.825 -177.222 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 201' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.553 1.078 0 CA-C-O 117.86 -1.067 . . . . 0.0 110.652 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 202' ' ' ARG . . . . . . . . . . . . . 21.6 ttt-85 -157.82 79.45 0.85 Allowed 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 121.361 1.892 . . . . 0.0 112.34 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 203' ' ' GLY . . . . . . . . . . . . . . . -75.83 36.79 1.24 Allowed Glycine 0 CA--C 1.536 1.354 0 O-C-N 120.365 -1.459 . . . . 0.0 115.292 -177.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 25.3 t -72.5 36.95 0.07 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 129.051 2.941 . . . . 0.0 113.571 -171.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 205' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -67.79 123.87 88.01 Favored Pre-proline 0 C--O 1.234 0.244 0 O-C-N 120.912 -1.118 . . . . 0.0 111.384 -178.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 206' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -68.96 165.39 30.17 Favored 'Trans proline' 0 N--CA 1.452 -0.951 0 CA-C-N 119.512 0.861 . . . . 0.0 110.103 156.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 207' ' ' SER . . . . . . . . . . . . . 85.0 p -82.81 -179.18 7.36 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 126.219 1.807 . . . . 0.0 114.05 -164.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . -47.82 -58.47 6.85 Favored Glycine 0 CA--C 1.529 0.945 0 CA-C-O 119.253 -0.748 . . . . 0.0 111.392 177.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 209' ' ' ALA . . . . . . . . . . . . . . . -82.04 -27.67 32.88 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.067 0.933 . . . . 0.0 112.25 -178.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -75.18 -41.75 57.26 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 120.696 1.589 . . . . 0.0 110.158 -179.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -62.61 -30.3 71.24 Favored 'General case' 0 N--CA 1.456 -0.142 0 O-C-N 120.586 -1.321 . . . . 0.0 110.122 172.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 212' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -55.09 -52.11 64.26 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 120.914 1.688 . . . . 0.0 111.106 167.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 213' ' ' ARG . . . . . . . . . . . . . 35.6 ttm105 -58.09 -45.51 87.05 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-O 118.492 -0.766 . . . . 0.0 109.522 175.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 23.6 ttp180 -56.19 -48.15 76.93 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 119.306 0.957 . . . . 0.0 111.627 177.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 215' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -57.08 -48.38 78.74 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 125.546 1.538 . . . . 0.0 108.493 -177.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 216' ' ' ALA . . . . . . . . . . . . . . . -79.79 -1.02 36.95 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 114.611 1.338 . . . . 0.0 114.611 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -100.56 -7.42 24.09 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.436 1.094 . . . . 0.0 111.501 173.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -94.8 -17.43 22.14 Favored 'General case' 0 N--CA 1.439 -0.982 0 C-N-CA 125.973 1.709 . . . . 0.0 113.135 177.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.3 0 CA-C-O 116.722 -1.609 . . . . 0.0 112.688 -176.381 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 201' ' ' ARG . . . . . . . . . . . . . 72.4 mtt85 . . . . . 0 N--CA 1.47 0.57 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 202' ' ' ARG . . . . . . . . . . . . . 20.4 ttm180 30.83 88.26 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 129.744 3.218 . . . . 0.0 112.888 -175.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 203' ' ' GLY . . . . . . . . . . . . . . . -81.02 -124.61 0.63 Allowed Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 107.117 -2.393 . . . . 0.0 107.117 160.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 23.2 t 24.85 60.65 0.05 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 128.852 2.861 . . . . 0.0 112.708 -177.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 205' ' ' ARG . . . . . . . . . . . . . 8.6 ttp-105 -50.23 110.4 1.66 Allowed Pre-proline 0 CA--C 1.54 0.566 0 C-N-CA 126.289 1.835 . . . . 0.0 109.107 -176.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 206' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -82.76 82.25 2.24 Favored 'Trans proline' 0 N--CA 1.454 -0.821 0 C-N-CA 122.686 2.257 . . . . 0.0 110.86 -165.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 207' ' ' SER . . . . . . . . . . . . . 19.2 m -65.88 139.05 58.25 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 124.059 0.944 . . . . 0.0 109.29 -177.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . -47.69 -60.04 5.64 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 124.757 1.17 . . . . 0.0 112.776 -164.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 209' ' ' ALA . . . . . . . . . . . . . . . -69.38 -13.1 62.19 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 -178.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -86.05 -53.9 4.8 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 119.987 1.267 . . . . 0.0 108.573 172.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -57.22 -24.96 58.13 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 126.085 1.754 . . . . 0.0 111.374 178.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 212' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -44.27 -35.48 2.31 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 126.393 1.877 . . . . 0.0 112.425 168.506 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 213' ' ' ARG . . . . . . . . . . . . . 9.8 ptp85 -69.99 -22.55 63.12 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-O 117.239 -1.362 . . . . 0.0 113.051 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -57.73 -36.27 71.81 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 120.893 1.679 . . . . 0.0 110.257 -178.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 215' ' ' ARG . . . . . . . . . . . . . 54.7 mtm180 -52.64 -58.55 6.44 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 124.619 1.168 . . . . 0.0 108.218 174.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 216' ' ' ALA . . . . . . . . . . . . . . . -74.42 16.03 0.29 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.42 1.888 . . . . 0.0 113.414 177.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -121.88 -25.32 5.02 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 120.037 1.289 . . . . 0.0 111.386 178.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -75.35 -3.5 33.93 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.31 1.444 . . . . 0.0 112.229 155.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.967 0 N-CA-C 107.297 -1.371 . . . . 0.0 107.297 166.367 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 201' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 . . . . . 0 N--CA 1.473 0.718 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 202' ' ' ARG . . . . . . . . . . . . . 35.8 ptt85 24.72 63.88 0.05 Allowed 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 130.591 3.556 . . . . 0.0 116.172 174.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 203' ' ' GLY . . . . . . . . . . . . . . . -68.69 -9.4 58.88 Favored Glycine 0 CA--C 1.531 1.06 0 CA-C-N 115.677 -0.692 . . . . 0.0 114.518 176.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 28.9 t -77.57 61.84 2.39 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.455 1.502 . . . . 0.0 108.909 171.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 205' ' ' ARG . . . . . . . . . . . . . 36.2 mtp85 -44.06 112.95 1.46 Allowed Pre-proline 0 CA--C 1.535 0.402 0 C-N-CA 126.126 1.77 . . . . 0.0 110.123 171.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 206' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -80.02 -8.99 14.29 Favored 'Trans proline' 0 CA--C 1.542 0.916 0 C-N-CA 124.001 3.134 . . . . 0.0 112.945 -172.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 207' ' ' SER . . . . . . . . . . . . . 4.6 p -96.57 108.49 21.1 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 120.747 -1.221 . . . . 0.0 111.756 -121.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 100.68 38.86 3.32 Favored Glycine 0 CA--C 1.527 0.795 0 C-N-CA 124.97 1.272 . . . . 0.0 111.294 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 209' ' ' ALA . . . . . . . . . . . . . . . 59.04 12.23 2.32 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.75 1.62 . . . . 0.0 112.206 -166.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -68.6 -36.18 78.34 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 120.881 -1.137 . . . . 0.0 112.016 -165.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.88 -31.97 45.67 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.176 -0.952 . . . . 0.0 110.305 -178.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 212' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -40.72 77.86 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.396 1.078 . . . . 0.0 111.421 162.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 213' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -67.14 -22.4 65.79 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 117.822 -1.085 . . . . 0.0 111.809 172.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -57.78 -20.26 34.14 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 121.177 1.808 . . . . 0.0 112.576 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 215' ' ' ARG . . . . . . . . . . . . . 29.4 ttm-85 -50.48 -46.67 57.09 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 121.044 1.747 . . . . 0.0 110.925 168.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 216' ' ' ALA . . . . . . . . . . . . . . . -66.35 -0.49 2.67 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.147 1.379 . . . . 0.0 113.744 -176.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -73.21 -36.5 66.51 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 119.023 0.829 . . . . 0.0 111.567 167.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -147.47 50.14 1.08 Allowed 'General case' 0 N--CA 1.443 -0.825 0 C-N-CA 125.117 1.367 . . . . 0.0 110.29 -173.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 117.709 -1.139 . . . . 0.0 109.373 169.572 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 201' ' ' ARG . . . . . . . . . . . . . 20.1 ttp85 . . . . . 0 CA--C 1.553 1.084 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 202' ' ' ARG . . . . . . . . . . . . . 63.8 ttp85 -156.01 74.88 0.87 Allowed 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 120.994 1.724 . . . . 0.0 109.695 172.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 203' ' ' GLY . . . . . . . . . . . . . . . -57.67 -57.04 21.89 Favored Glycine 0 CA--C 1.53 0.992 0 CA-C-N 117.793 0.269 . . . . 0.0 112.712 -177.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 4.5 t -121.13 -95.93 0.48 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.866 -175.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 205' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? 51.35 70.06 2.18 Favored Pre-proline 0 N--CA 1.474 0.769 0 CA-C-N 120.136 1.334 . . . . 0.0 109.377 -151.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 206' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -71.84 -179.36 3.75 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 123.009 2.472 . . . . 0.0 111.661 -174.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 207' ' ' SER . . . . . . . . . . . . . 46.1 t -55.35 170.3 0.23 Allowed 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 126.41 1.884 . . . . 0.0 112.228 173.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . -68.09 -78.69 0.28 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 108.84 -1.704 . . . . 0.0 108.84 157.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 209' ' ' ALA . . . . . . . . . . . . . . . -57.83 -35.02 70.31 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -173.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -78.28 -20.19 52.07 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 120.192 1.36 . . . . 0.0 112.884 178.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 67.1 ttp85 -69.15 -38.69 78.92 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 119.869 -1.769 . . . . 0.0 108.953 172.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 212' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.13 -20.1 16.13 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 166.414 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 213' ' ' ARG . . . . . . . . . . . . . 47.8 ttt85 -76.4 -53.28 8.38 Favored 'General case' 0 C--N 1.339 0.149 0 CA-C-N 120.217 1.371 . . . . 0.0 110.079 167.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 10.6 ttp85 -57.48 -24.75 57.62 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.606 1.094 . . . . 0.0 112.651 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 215' ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -52.55 -36.13 55.06 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.716 1.207 . . . . 0.0 111.843 172.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 216' ' ' ALA . . . . . . . . . . . . . . . -84.94 2.34 43.29 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 126.302 1.841 . . . . 0.0 113.627 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -105.08 -34.7 7.87 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 125.119 1.368 . . . . 0.0 109.792 169.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -60.81 -59.42 5.42 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 167.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.145 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 176.866 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 201' ' ' ARG . . . . . . . . . . . . . 51.8 mtm180 . . . . . 0 N--CA 1.47 0.557 0 N-CA-C 106.253 -1.758 . . . . 0.0 106.253 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 202' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -174.08 104.31 0.11 Allowed 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 -167.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 203' ' ' GLY . . . . . . . . . . . . . . . -125.03 47.72 1.0 Allowed Glycine 0 CA--C 1.528 0.887 0 C-N-CA 124.376 0.989 . . . . 0.0 112.179 -176.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 5.6 t 34.64 53.41 0.61 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 129.054 2.942 . . . . 0.0 114.237 168.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 205' ' ' ARG . . . . . . . . . . . . . 18.1 mtm105 -64.02 150.12 92.44 Favored Pre-proline 0 C--O 1.235 0.339 0 C-N-CA 124.879 1.272 . . . . 0.0 108.807 177.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 206' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -66.33 154.85 72.64 Favored 'Trans proline' 0 N--CA 1.452 -0.936 0 CA-C-N 120.269 1.132 . . . . 0.0 110.596 168.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 207' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.56 147.66 51.63 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 125.612 1.565 . . . . 0.0 109.608 174.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . -45.61 -54.08 7.94 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 125.417 1.484 . . . . 0.0 114.577 -166.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 209' ' ' ALA . . . . . . . . . . . . . . . -67.32 -33.1 74.55 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.848 -0.795 . . . . 0.0 112.45 -173.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -78.33 -32.28 49.11 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.322 1.449 . . . . 0.0 110.39 171.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -26.03 67.07 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 120.312 -1.493 . . . . 0.0 110.697 176.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 212' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.37 -28.18 41.39 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.902 1.228 . . . . 0.0 111.973 164.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 213' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -84.61 -46.56 11.41 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 121.333 -0.854 . . . . 0.0 110.386 173.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.82 -37.71 69.04 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.206 0.912 . . . . 0.0 111.132 177.412 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 215' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -50.04 -63.48 1.1 Allowed 'General case' 0 CA--C 1.505 -0.75 0 C-N-CA 126.513 1.925 . . . . 0.0 106.994 175.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.89 -7.72 9.0 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 115.224 1.564 . . . . 0.0 115.224 -177.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -74.01 -38.32 64.12 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 119.37 0.986 . . . . 0.0 110.601 171.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -161.68 81.78 0.59 Allowed 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 126.604 1.961 . . . . 0.0 107.223 174.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.967 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 169.981 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . 0.45 HO2' " H5'" ' A' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.683 1 O4'-C1'-N19 114.488 6.288 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . 0.45 " H5'" HO2' ' A' ' 1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.848 3 C4'-C3'-C2' 97.744 -4.956 . 0.308 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.93 1 O4'-C1'-N19 112.564 4.364 . 0.244 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.942 0 O4'-C1'-N19 112.132 3.932 . 0.699 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.562 0 C5'-C4'-O4' 114.334 3.667 . 0.119 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.556 1 O4'-C1'-N19 112.968 4.768 . 0.58 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.222 1 C3'-C2'-C1' 105.297 4.219 . 0.093 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ' G' . . . . . 0.472 HO2' ' P ' ' A' ' 9' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.177 0 O4'-C1'-N19 111.183 2.983 . 0.034 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ' C' . . . . . 0.472 ' P ' HO2' ' A' ' 8' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.096 2 O4'-C1'-N19 114.605 6.405 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.284 0 O4'-C1'-N19 110.729 2.529 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.561 0 O4'-C1'-N19 111.731 3.531 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.5 0 C3'-C2'-C1' 104.424 3.249 . 0.112 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.441 1 O4'-C1'-N19 113.714 5.514 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.994 1 C3'-C2'-C1' 105.355 4.283 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.168 1 O4'-C1'-N19 112.753 4.553 . 0.126 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.175 1 O4'-C1'-N19 113.053 4.853 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.185 0 O4'-C1'-N19 110.858 2.658 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.371 0 C3'-C2'-C1' 104.868 3.742 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.291 1 O4'-C1'-N19 113.904 5.704 . 0.231 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.106 1 C5'-C4'-C3' 108.688 -4.541 . 0.21 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.239 1 C4'-C3'-C2' 98.581 -4.119 . 0.516 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.337 0 P-O3'-C3' 122.765 2.554 . 0.675 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.704 2 C3'-C2'-C1' 105.628 4.586 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.771 1 O4'-C1'-N19 112.737 4.537 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ' G' . . . . . 0.449 " H3'" " H2'" ' A' ' 26' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -2.027 1 O4'-C1'-N19 114.257 6.057 . 0.59 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ' G' . . . . . 0.449 " H2'" " H3'" ' A' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.136 0 C5'-C4'-O4' 114.082 3.487 . 0.023 5p . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.573 -2.858 1 O4'-C1'-N19 112.494 4.294 . 0.252 6p . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.58 0 O4'-C1'-N19 110.598 2.398 . 0.327 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.614 1 O4'-C1'-N19 112.533 4.333 . 0.334 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.359 0 O4'-C1'-N19 111.954 3.754 . 0.553 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.233 0 C5'-C4'-O4' 114.583 3.845 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.828 1 C4'-C3'-C2' 97.458 -5.242 . 0.407 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.385 1 O4'-C1'-N19 112.714 4.514 . 0.426 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.817 1 O4'-C1'-N19 113.183 4.983 . 0.519 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 201' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.427 0 CA-C-O 119.269 -0.396 . . . . 0.0 109.97 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 202' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 46.15 76.71 0.09 Allowed 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 130.561 3.544 . . . . 0.0 113.002 164.11 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 203' ' ' GLY . . . . . . . . . . . . . . . -159.25 83.57 0.13 Allowed Glycine 0 C--N 1.335 0.509 0 O-C-N 121.613 -0.68 . . . . 0.0 111.879 -178.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 2.2 m -122.75 -121.49 0.28 Allowed 'General case' 0 N--CA 1.429 -1.506 0 C-N-CA 126.504 1.922 . . . . 0.0 106.234 168.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 205' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -139.35 77.34 29.8 Favored Pre-proline 0 N--CA 1.469 0.514 0 CA-C-N 120.614 1.552 . . . . 0.0 108.464 174.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 206' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -77.73 33.55 0.45 Allowed 'Trans proline' 0 CA--C 1.545 1.061 0 C-N-CA 122.463 2.109 . . . . 0.0 111.818 174.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 207' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.07 126.72 28.95 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 126.093 1.757 . . . . 0.0 108.082 -167.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . -42.78 -64.92 1.51 Allowed Glycine 0 CA--C 1.526 0.776 0 CA-C-N 120.391 1.45 . . . . 0.0 113.371 -160.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 209' ' ' ALA . . . . . . . . . . . . . . . -63.66 -24.36 67.75 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 -177.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -83.35 -40.0 20.01 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 119.188 0.904 . . . . 0.0 110.113 178.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -36.89 79.59 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-O 117.307 -1.33 . . . . 0.0 108.403 176.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 212' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -43.11 -46.24 5.72 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 125.482 1.513 . . . . 0.0 112.371 174.017 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 213' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -65.26 -31.88 73.25 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 122.858 0.463 . . . . 0.0 112.059 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 10.6 ttm-85 -79.94 -38.1 33.12 Favored 'General case' 0 C--O 1.225 -0.19 0 C-N-CA 124.04 0.936 . . . . 0.0 111.601 173.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 215' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -57.06 -48.19 79.15 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 119.569 1.077 . . . . 0.0 108.188 175.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 216' ' ' ALA . . . . . . . . . . . . . . . -67.15 14.23 0.05 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.642 1.977 . . . . 0.0 114.741 170.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -108.62 -21.3 12.76 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 120.164 1.347 . . . . 0.0 111.882 164.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -64.98 -49.18 71.29 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 119.223 0.919 . . . . 0.0 109.951 170.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.166 0 C-N-CA 125.313 1.445 . . . . 0.0 110.21 177.958 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.774 0 O4'-C1'-N19 111.83 3.63 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.803 0 C5'-C4'-O4' 114.392 3.709 . 0.838 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.57 -3.122 0 O4'-C1'-N19 112.158 3.958 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.211 1 O4'-C1'-N19 112.614 4.414 . 0.739 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.782 0 O4'-C1'-N19 111.802 3.602 . 0.288 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.259 0 O4'-C1'-N19 112.086 3.886 . 0.855 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.921 0 C3'-C2'-O2' 106.864 -2.219 . 0.315 4a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ' G' . . . . . 0.461 HO2' ' P ' ' A' ' 9' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.428 -2.083 1 O4'-C1'-N19 112.662 4.462 . 0.514 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ' C' . . . . . 0.461 ' P ' HO2' ' A' ' 8' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.315 2 O4'-C1'-N19 113.815 5.615 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ' G' . . . . . 0.418 " H2'" ' C6 ' ' A' ' 11' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.54 2.272 1 O4'-C1'-N19 114.531 6.331 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ' C' . . . . . 0.418 ' C6 ' " H2'" ' A' ' 10' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.758 2 C3'-C2'-C1' 106.02 5.022 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ' A' . . . . . 0.425 HO2' " C5'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.568 2 O4'-C1'-N19 112.488 4.288 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ' G' . . . . . 0.425 " C5'" HO2' ' A' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.62 1 O4'-C1'-N19 112.424 4.224 . 0.021 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.1 2 C3'-C2'-C1' 105.253 4.17 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.213 1 O4'-C1'-N19 113.58 5.38 . 0.079 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.226 2 O4'-C1'-N19 113.071 4.871 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.189 0 C4'-C3'-C2' 100.37 -2.33 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.332 2 C3'-C2'-C1' 106.145 5.161 OUTLIER-DELTA 0.01 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.455 1 O4'-C1'-N19 114.892 6.692 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.05 1 O4'-C1'-N19 112.879 4.679 . 0.604 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ' U' . . . . . 0.426 " H2'" ' C8 ' ' A' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.7 0 C3'-C2'-C1' 105.024 3.915 . 0.24 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ' G' . . . . . 0.478 " H2'" ' C6 ' ' A' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.795 0 C4'-C3'-C2' 99.192 -3.508 . 0.699 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.247 1 O4'-C1'-N19 113.715 5.515 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ' C' . . . . . 0.478 ' C6 ' " H2'" ' A' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.285 1 O4'-C1'-N19 112.7 4.5 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.239 0 O4'-C1'-N19 111.394 3.194 . 0.584 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.12 0 O4'-C1'-N19 111.44 3.24 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.284 1 O4'-C1'-N19 112.228 4.028 . 0.262 6p . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.689 0 O4'-C1'-N19 110.46 2.26 . 0.147 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.744 1 O4'-C1'-N19 112.391 4.191 . 0.801 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.612 0 O4'-C1'-N19 111.469 3.269 . 0.576 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ' G' . . . . . 0.431 HO2' " C5'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.191 2 O4'-C1'-N19 112.798 4.598 . 0.761 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ' G' . . . . . 0.431 " C5'" HO2' ' A' ' 31' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.929 0 O4'-C1'-N19 111.543 3.343 . 0.326 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ' C' . . . . . 0.491 HO2' " C5'" ' A' ' 34' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.624 2 O4'-C1'-N19 113.035 4.835 . 0.606 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ' C' . . . . . 0.491 " C5'" HO2' ' A' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.702 1 O4'-C1'-N19 112.404 4.204 . 0.256 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 201' ' ' ARG . . . . . . . . . . . . . 87.9 mtt-85 . . . . . 0 N--CA 1.467 0.418 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 202' ' ' ARG . . . . . . . . . . . . . 16.0 ttp85 56.54 30.63 17.57 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.874 1.27 . . . . 0.0 112.45 170.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 203' ' ' GLY . . . . . . . . . . . . . . . -66.69 8.36 1.18 Allowed Glycine 0 CA--C 1.536 1.346 0 C-N-CA 124.557 1.075 . . . . 0.0 114.636 178.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 8.3 t -135.59 75.41 1.56 Allowed 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 119.588 1.694 . . . . 0.0 107.286 177.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 205' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.34 126.78 93.04 Favored Pre-proline 0 C--O 1.237 0.425 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 167.109 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 206' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -73.23 164.35 35.56 Favored 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 122.076 1.85 . . . . 0.0 109.883 173.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 207' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.25 131.19 55.3 Favored 'General case' 0 N--CA 1.431 -1.412 0 N-CA-C 105.366 -2.086 . . . . 0.0 105.366 163.329 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . -53.95 -63.16 5.39 Favored Glycine 0 CA--C 1.523 0.535 0 CA-C-N 118.982 0.81 . . . . 0.0 112.942 -159.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 209' ' ' ALA . . . . . . . . . . . . . . . -74.36 -12.77 60.62 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -76.48 -24.76 53.82 Favored 'General case' 0 C--O 1.237 0.444 0 O-C-N 120.627 -1.296 . . . . 0.0 111.471 174.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -61.01 -26.55 67.69 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.73 -0.606 . . . . 0.0 111.152 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 212' ' ' ARG . . . . . . . . . . . . . 21.4 mtt180 -58.63 -31.85 68.51 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 125.092 1.357 . . . . 0.0 112.483 171.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 213' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -77.79 -28.39 50.43 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 119.461 1.028 . . . . 0.0 110.835 174.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.6 -31.6 68.21 Favored 'General case' 0 N--CA 1.463 0.199 0 O-C-N 121.48 -0.762 . . . . 0.0 110.562 173.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 215' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -58.56 -48.5 80.69 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 118.693 0.679 . . . . 0.0 109.881 177.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 216' ' ' ALA . . . . . . . . . . . . . . . -66.53 -29.5 69.6 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -75.09 -31.61 61.25 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 126.388 1.875 . . . . 0.0 111.722 178.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -73.38 -40.5 64.28 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 124.537 1.135 . . . . 0.0 110.628 169.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.257 1.456 0 C-N-CA 127.066 2.146 . . . . 0.0 112.825 -177.222 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.599 0 O4'-C1'-N19 111.935 3.735 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.87 2 O4'-C1'-N19 113.683 5.483 . 0.187 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.457 1 O4'-C1'-N19 113.893 5.693 . 0.05 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.14 1 O4'-C1'-N19 114.686 6.486 . 0.581 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.604 1 O4'-C1'-N19 114.332 6.132 . 0.524 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.164 0 O4'-C1'-N19 110.888 2.688 . 0.678 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ' G' . . . . . 0.472 HO2' " C5'" ' A' ' 8' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.104 1 O4'-C1'-N19 112.422 4.222 . 0.453 4a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ' G' . . . . . 0.472 " C5'" HO2' ' A' ' 7' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.145 1 O4'-C1'-N19 114.629 6.429 . 0.24 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ' C' . . . . . 0.408 HO2' " C5'" ' A' ' 10' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.332 3 O4'-C1'-N19 116.802 8.602 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ' G' . . . . . 0.408 " C5'" HO2' ' A' ' 9' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.428 -2.043 1 O4'-C1'-N19 113.259 5.059 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.057 1 O4'-C1'-N19 114.821 6.621 . 0.102 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ' A' . . . . . 0.639 ' N6 ' ' H2 ' ' B' ' 201' ' ' ARG . . . . . . . . 0 O4'--C4' 1.423 -2.499 1 O4'-C1'-N19 113.558 5.358 . 0.0 OUTLIER '7D dist 2g wannabe' 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.606 2 O4'-C1'-N19 114.033 5.833 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.983 2 C3'-C2'-C1' 105.367 4.297 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.178 1 O4'-C1'-N19 113.989 5.789 . 0.08 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 3.001 2 O4'-C1'-N19 113.078 4.878 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.261 0 O4'-C1'-N19 110.494 2.294 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.548 2.218 1 C3'-C2'-C1' 105.472 4.413 . 0.284 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.325 1 O4'-C1'-N19 113.227 5.027 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.97 0 O4'-C1'-N19 111.879 3.679 . 0.134 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.554 0 O4'-C1'-N19 111.878 3.678 . 0.288 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ' G' . . . . . 0.421 " H2'" ' C6 ' ' A' ' 24' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.406 -2.134 1 O4'-C1'-N19 113.598 5.398 . 0.412 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.674 2 O4'-C1'-N19 114.055 5.855 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ' C' . . . . . 0.421 ' C6 ' " H2'" ' A' ' 22' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.541 2.364 1 O4'-C1'-N19 113.078 4.878 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ' G' . . . . . 0.473 " H2'" ' C8 ' ' A' ' 26' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.834 0 C5'-C4'-C3' 110.977 -3.015 . 0.604 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ' G' . . . . . 0.473 ' C8 ' " H2'" ' A' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.779 0 C5'-C4'-O4' 113.946 3.39 . 0.453 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.73 0 O4'-C1'-N19 111.253 3.053 . 0.541 6p . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.633 0 C5'-C4'-C3' 110.797 -3.136 . 0.201 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.576 -2.587 0 O4'-C1'-N19 111.97 3.77 . 0.719 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.823 0 O4'-C1'-N19 111.455 3.255 . 0.573 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ' G' . . . . . 0.537 HO2' " C5'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.457 1 O4'-C1'-N19 113.55 5.35 . 0.558 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ' G' . . . . . 0.537 " C5'" HO2' ' A' ' 31' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.898 1 O4'-C1'-N19 113.289 5.089 . 0.435 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.287 1 O4'-C1'-N19 112.409 4.209 . 0.467 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.913 0 C3'-C2'-O2' 105.443 -2.709 . 0.723 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 201' ' ' ARG . . . . . 0.639 ' H2 ' ' N6 ' ' A' ' 12' ' ' ' A' . 0.0 OUTLIER . . . . . 0 CA--C 1.553 1.078 0 CA-C-O 117.86 -1.067 . . . . 0.0 110.652 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 202' ' ' ARG . . . . . . . . . . . . . 21.6 ttt-85 -157.82 79.45 0.85 Allowed 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 121.361 1.892 . . . . 0.0 112.34 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 203' ' ' GLY . . . . . . . . . . . . . . . -75.83 36.79 1.24 Allowed Glycine 0 CA--C 1.536 1.354 0 O-C-N 120.365 -1.459 . . . . 0.0 115.292 -177.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 25.3 t -72.5 36.95 0.07 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 129.051 2.941 . . . . 0.0 113.571 -171.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 205' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -67.79 123.87 88.01 Favored Pre-proline 0 C--O 1.234 0.244 0 O-C-N 120.912 -1.118 . . . . 0.0 111.384 -178.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 206' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -68.96 165.39 30.17 Favored 'Trans proline' 0 N--CA 1.452 -0.951 0 CA-C-N 119.512 0.861 . . . . 0.0 110.103 156.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 207' ' ' SER . . . . . . . . . . . . . 85.0 p -82.81 -179.18 7.36 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 126.219 1.807 . . . . 0.0 114.05 -164.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . -47.82 -58.47 6.85 Favored Glycine 0 CA--C 1.529 0.945 0 CA-C-O 119.253 -0.748 . . . . 0.0 111.392 177.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 209' ' ' ALA . . . . . . . . . . . . . . . -82.04 -27.67 32.88 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.067 0.933 . . . . 0.0 112.25 -178.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -75.18 -41.75 57.26 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 120.696 1.589 . . . . 0.0 110.158 -179.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -62.61 -30.3 71.24 Favored 'General case' 0 N--CA 1.456 -0.142 0 O-C-N 120.586 -1.321 . . . . 0.0 110.122 172.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 212' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -55.09 -52.11 64.26 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 120.914 1.688 . . . . 0.0 111.106 167.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 213' ' ' ARG . . . . . . . . . . . . . 35.6 ttm105 -58.09 -45.51 87.05 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-O 118.492 -0.766 . . . . 0.0 109.522 175.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 23.6 ttp180 -56.19 -48.15 76.93 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 119.306 0.957 . . . . 0.0 111.627 177.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 215' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -57.08 -48.38 78.74 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 125.546 1.538 . . . . 0.0 108.493 -177.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 216' ' ' ALA . . . . . . . . . . . . . . . -79.79 -1.02 36.95 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 114.611 1.338 . . . . 0.0 114.611 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -100.56 -7.42 24.09 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.436 1.094 . . . . 0.0 111.501 173.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -94.8 -17.43 22.14 Favored 'General case' 0 N--CA 1.439 -0.982 0 C-N-CA 125.973 1.709 . . . . 0.0 113.135 177.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.3 0 CA-C-O 116.722 -1.609 . . . . 0.0 112.688 -176.381 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.631 2 O4'-C1'-N19 113.369 5.169 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . 0.607 HO2' " C5'" ' A' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.851 1 O4'-C1'-N19 114.329 6.129 . 0.11 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ' U' . . . . . 0.607 " C5'" HO2' ' A' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.741 0 O4'-C1'-N19 111.438 3.238 . 0.285 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ' C' . . . . . 0.436 ' C6 ' " H2'" ' A' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.416 -3.05 0 O4'-C1'-N19 111.569 3.369 . 0.116 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.704 0 O4'-C1'-N19 111.721 3.521 . 0.546 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.61 1 O4'-C1'-N19 113.311 5.111 . 0.538 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ' G' . . . . . 0.411 " H2'" ' C8 ' ' A' ' 8' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.927 0 C5'-C4'-O4' 112.333 2.238 . 0.155 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ' G' . . . . . 0.411 ' C8 ' " H2'" ' A' ' 7' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.248 1 O4'-C1'-N19 112.419 4.219 . 0.497 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.057 3 O4'-C1'-N19 115.179 6.979 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ' G' . . . . . 0.431 HO2' " C5'" ' A' ' 11' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.463 1 O4'-C1'-N19 113.465 5.265 . 0.128 &a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ' C' . . . . . 0.431 " C5'" HO2' ' A' ' 10' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.684 2 O4'-C1'-N19 113.679 5.479 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.343 2 O4'-C1'-N19 112.913 4.713 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.395 1 O4'-C1'-N19 114.632 6.432 . 0.027 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.155 1 C3'-C2'-C1' 105.616 4.573 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.525 1 O4'-C1'-N19 114.35 6.15 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.237 2 O4'-C1'-N19 113.899 5.699 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.411 0 O4'-C1'-N19 111.031 2.831 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.279 1 O4'-C1'-N19 113.073 4.873 . 0.098 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.059 0 N19-C1'-C2' 107.402 -3.749 . 0.15 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.284 2 C5'-C4'-C3' 105.101 -6.933 . 0.602 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.67 1 O4'-C1'-N19 113.737 5.537 . 0.175 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.262 0 P-O3'-C3' 123.03 2.775 . 0.369 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.05 1 C5'-C4'-C3' 108.814 -4.458 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.836 0 O4'-C1'-N19 112.05 3.85 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ' G' . . . . . 0.412 " H3'" " H2'" ' A' ' 26' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 C5'-C4'-C3' 110.971 -3.02 . 0.732 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ' G' . . . . . 0.412 " H2'" " H3'" ' A' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.744 0 C5'-C4'-O4' 112.813 2.581 . 0.012 5p . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.941 0 O4'-C1'-N19 111.755 3.555 . 0.571 6p . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.629 0 C4'-C3'-C2' 99.612 -3.088 . 0.413 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.604 1 O4'-C1'-N19 112.93 4.73 . 0.4 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.791 0 C4'-C3'-C2' 99.241 -3.459 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.82 2 O4'-C1'-N19 112.9 4.7 . 0.539 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.34 0 O4'-C1'-N19 111.757 3.557 . 0.313 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.467 1 O4'-C1'-N19 113.721 5.521 . 0.648 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.808 1 O4'-C1'-N19 112.363 4.163 . 0.657 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 201' ' ' ARG . . . . . . . . . . . . . 72.4 mtt85 . . . . . 0 N--CA 1.47 0.57 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 202' ' ' ARG . . . . . . . . . . . . . 20.4 ttm180 30.83 88.26 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 129.744 3.218 . . . . 0.0 112.888 -175.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 203' ' ' GLY . . . . . . . . . . . . . . . -81.02 -124.61 0.63 Allowed Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 107.117 -2.393 . . . . 0.0 107.117 160.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 23.2 t 24.85 60.65 0.05 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 128.852 2.861 . . . . 0.0 112.708 -177.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 205' ' ' ARG . . . . . . . . . . . . . 8.6 ttp-105 -50.23 110.4 1.66 Allowed Pre-proline 0 CA--C 1.54 0.566 0 C-N-CA 126.289 1.835 . . . . 0.0 109.107 -176.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 206' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -82.76 82.25 2.24 Favored 'Trans proline' 0 N--CA 1.454 -0.821 0 C-N-CA 122.686 2.257 . . . . 0.0 110.86 -165.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 207' ' ' SER . . . . . . . . . . . . . 19.2 m -65.88 139.05 58.25 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 124.059 0.944 . . . . 0.0 109.29 -177.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . -47.69 -60.04 5.64 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 124.757 1.17 . . . . 0.0 112.776 -164.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 209' ' ' ALA . . . . . . . . . . . . . . . -69.38 -13.1 62.19 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 -178.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -86.05 -53.9 4.8 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 119.987 1.267 . . . . 0.0 108.573 172.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -57.22 -24.96 58.13 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 126.085 1.754 . . . . 0.0 111.374 178.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 212' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -44.27 -35.48 2.31 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 126.393 1.877 . . . . 0.0 112.425 168.506 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 213' ' ' ARG . . . . . . . . . . . . . 9.8 ptp85 -69.99 -22.55 63.12 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-O 117.239 -1.362 . . . . 0.0 113.051 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -57.73 -36.27 71.81 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 120.893 1.679 . . . . 0.0 110.257 -178.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 215' ' ' ARG . . . . . . . . . . . . . 54.7 mtm180 -52.64 -58.55 6.44 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 124.619 1.168 . . . . 0.0 108.218 174.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 216' ' ' ALA . . . . . . . . . . . . . . . -74.42 16.03 0.29 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.42 1.888 . . . . 0.0 113.414 177.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -121.88 -25.32 5.02 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 120.037 1.289 . . . . 0.0 111.386 178.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -75.35 -3.5 33.93 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.31 1.444 . . . . 0.0 112.229 155.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.967 0 N-CA-C 107.297 -1.371 . . . . 0.0 107.297 166.367 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.684 1 O4'-C1'-N19 112.722 4.522 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.162 1 O4'-C1'-N19 112.728 4.528 . 0.089 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ' U' . . . . . 0.464 HO2' " H5'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.2 1 O4'-C1'-N19 114.307 6.107 . 0.619 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ' C' . . . . . 0.464 " H5'" HO2' ' A' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.474 1 O4'-C1'-N19 113.986 5.786 . 0.395 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.611 1 O4'-C1'-N19 113.599 5.399 . 0.645 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.582 -2.078 2 O4'-C1'-N19 113.86 5.66 . 0.723 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ' G' . . . . . 0.534 HO2' " C5'" ' A' ' 8' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.428 -2.111 1 O4'-C1'-N19 112.549 4.349 . 0.149 4g . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ' G' . . . . . 0.534 " C5'" HO2' ' A' ' 7' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -1.984 2 O4'-C1'-N19 115.054 6.854 . 0.215 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ' C' . . . . . 0.436 HO2' " C4'" ' A' ' 10' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -2.012 4 C4'-C3'-C2' 95.994 -6.706 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ' G' . . . . . 0.436 " C4'" HO2' ' A' ' 9' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.545 2.691 1 O4'-C1'-N19 114.251 6.051 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ' C' . . . . . 0.612 ' N4 ' ' H2 ' ' B' ' 201' ' ' ARG . . . . . . . . 0 O4'--C4' 1.417 -3.025 1 C3'-C2'-C1' 107.047 6.164 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.71 1 O4'-C1'-N19 112.289 4.089 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.491 2 O4'-C1'-N19 114.277 6.077 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.715 1 C3'-C2'-C1' 105.376 4.307 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.205 1 O4'-C1'-N19 112.415 4.215 . 0.294 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.099 2 O4'-C1'-N19 113.33 5.13 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.287 0 C3'-C2'-C1' 104.129 2.922 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.451 1 C4'-C3'-C2' 98.694 -4.006 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.373 0 O4'-C1'-N19 111.814 3.614 . 0.272 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.005 2 O4'-C1'-N19 113.22 5.02 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ' U' . . . . . 0.452 " H2'" ' C8 ' ' A' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.211 1 C3'-C2'-C1' 105.356 4.284 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ' G' . . . . . 0.456 " H2'" ' C6 ' ' A' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.386 0 O4'-C1'-N19 111.658 3.458 . 0.462 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.535 1 O4'-C1'-N19 113.129 4.929 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ' C' . . . . . 0.456 ' C6 ' " H2'" ' A' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.428 -2.116 1 O4'-C1'-N19 113.649 5.449 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ' G' . . . . . 0.416 " H3'" " H2'" ' A' ' 26' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.347 1 O4'-C1'-N19 112.713 4.513 . 0.594 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ' G' . . . . . 0.416 " H2'" " H3'" ' A' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.928 1 C4'-C3'-C2' 98.404 -4.296 OUTLIER-DELTA 0.01 5p . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.58 0 O4'-C1'-N19 112.124 3.924 . 0.01 6p . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.913 0 C5'-C4'-C3' 111.904 -2.398 . 0.169 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.184 1 O4'-C1'-N19 113.197 4.997 . 0.812 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.529 0 C4'-C3'-C2' 99.006 -3.694 . 0.518 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.858 0 C5'-C4'-O4' 113.349 2.963 . 0.412 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.183 0 O4'-C1'-N19 111.408 3.208 . 0.681 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.417 1 C3'-C2'-C1' 105.391 4.324 . 0.6 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.945 0 O4'-C1'-N19 111.413 3.213 . 0.32 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 201' ' ' ARG . . . . . 0.612 ' H2 ' ' N4 ' ' A' ' 11' ' ' ' C' . 15.5 mtp180 . . . . . 0 N--CA 1.473 0.718 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 202' ' ' ARG . . . . . . . . . . . . . 35.8 ptt85 24.72 63.88 0.05 Allowed 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 130.591 3.556 . . . . 0.0 116.172 174.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 203' ' ' GLY . . . . . . . . . . . . . . . -68.69 -9.4 58.88 Favored Glycine 0 CA--C 1.531 1.06 0 CA-C-N 115.677 -0.692 . . . . 0.0 114.518 176.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 28.9 t -77.57 61.84 2.39 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.455 1.502 . . . . 0.0 108.909 171.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 205' ' ' ARG . . . . . . . . . . . . . 36.2 mtp85 -44.06 112.95 1.46 Allowed Pre-proline 0 CA--C 1.535 0.402 0 C-N-CA 126.126 1.77 . . . . 0.0 110.123 171.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 206' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -80.02 -8.99 14.29 Favored 'Trans proline' 0 CA--C 1.542 0.916 0 C-N-CA 124.001 3.134 . . . . 0.0 112.945 -172.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 207' ' ' SER . . . . . . . . . . . . . 4.6 p -96.57 108.49 21.1 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 120.747 -1.221 . . . . 0.0 111.756 -121.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 100.68 38.86 3.32 Favored Glycine 0 CA--C 1.527 0.795 0 C-N-CA 124.97 1.272 . . . . 0.0 111.294 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 209' ' ' ALA . . . . . . . . . . . . . . . 59.04 12.23 2.32 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.75 1.62 . . . . 0.0 112.206 -166.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -68.6 -36.18 78.34 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 120.881 -1.137 . . . . 0.0 112.016 -165.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.88 -31.97 45.67 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.176 -0.952 . . . . 0.0 110.305 -178.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 212' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -40.72 77.86 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.396 1.078 . . . . 0.0 111.421 162.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 213' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -67.14 -22.4 65.79 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 117.822 -1.085 . . . . 0.0 111.809 172.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -57.78 -20.26 34.14 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 121.177 1.808 . . . . 0.0 112.576 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 215' ' ' ARG . . . . . . . . . . . . . 29.4 ttm-85 -50.48 -46.67 57.09 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 121.044 1.747 . . . . 0.0 110.925 168.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 216' ' ' ALA . . . . . . . . . . . . . . . -66.35 -0.49 2.67 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.147 1.379 . . . . 0.0 113.744 -176.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -73.21 -36.5 66.51 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 119.023 0.829 . . . . 0.0 111.567 167.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -147.47 50.14 1.08 Allowed 'General case' 0 N--CA 1.443 -0.825 0 C-N-CA 125.117 1.367 . . . . 0.0 110.29 -173.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 117.709 -1.139 . . . . 0.0 109.373 169.572 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.609 0 O4'-C1'-N19 112.128 3.928 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.905 0 O4'-C1'-N19 111.379 3.179 . 0.846 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.233 0 C3'-C2'-C1' 104.439 3.266 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ' C' . . . . . 0.403 HO2' " C5'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.415 -3.182 1 O4'-C1'-N19 112.842 4.642 . 0.401 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ' U' . . . . . 0.403 " C5'" HO2' ' A' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.61 1 O4'-C1'-N19 112.229 4.029 . 0.264 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.473 " C2'" ' HG ' ' B' ' 207' ' ' SER . . . . . . . . 0 P--O3' 1.585 -1.841 2 O4'-C1'-N19 114.924 6.724 . 0.581 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ' G' . . . . . 0.5 HO2' " C5'" ' A' ' 8' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.531 1 O4'-C1'-N19 112.274 4.074 . 0.198 4a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ' G' . . . . . 0.5 " C5'" HO2' ' A' ' 7' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.233 1 O4'-C1'-N19 113.333 5.133 . 0.29 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.239 2 O4'-C1'-N19 113.016 4.816 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.061 1 O4'-C1'-N19 112.98 4.78 . 0.19 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.448 1 O4'-C1'-N19 113.747 5.547 . 0.069 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.91 0 C3'-C2'-C1' 104.522 3.358 . 0.203 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.494 0 C3'-C2'-C1' 105.004 3.894 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.084 1 C3'-C2'-C1' 106.349 5.388 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ' G' . . . . . 0.454 HO2' " C5'" ' A' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.853 2 C3'-C2'-C1' 105.993 4.993 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ' C' . . . . . 0.454 " C5'" HO2' ' A' ' 15' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.551 3.139 3 O4'-C1'-N19 113.064 4.864 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.434 0 C3'-C2'-C1' 104.297 3.108 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.645 0 C3'-C2'-C1' 104.858 3.731 . 0.234 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ' G' . . . . . 0.451 HO2' " C5'" ' A' ' 20' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.406 1 O4'-C1'-N19 113.447 5.247 . 0.12 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ' C' . . . . . 0.451 " C5'" HO2' ' A' ' 19' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.428 -2.1 1 O4'-C1'-N19 114.22 6.02 . 0.285 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.939 2 C3'-C2'-C1' 106.228 5.253 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.254 1 O4'-C1'-N19 112.316 4.116 . 0.113 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.709 0 C3'-C2'-C1' 104.988 3.876 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.791 0 O4'-C1'-N19 111.798 3.598 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.141 0 O4'-C1'-N19 111.847 3.647 . 0.408 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ' G' . . . . . 0.447 ' C8 ' " H1'" ' A' ' 28' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.847 1 O4'-C1'-N19 112.41 4.21 . 0.0 OUTLIER '7D dist 5p wannabe' 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.919 0 O3'-P-O5' 110.474 3.408 . 0.01 6p . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ' A' . . . . . 0.447 " H1'" ' C8 ' ' A' ' 26' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.218 0 O4'-C1'-N19 112.107 3.907 . 0.155 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.817 1 O4'-C1'-N19 112.434 4.234 . 0.28 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.83 0 C5'-C4'-O4' 114.417 3.727 . 0.541 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.845 0 C4'-C3'-C2' 98.766 -3.934 . 0.627 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.899 0 O4'-C1'-N19 112.093 3.893 . 0.423 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.417 1 O4'-C1'-N19 114.46 6.26 . 0.612 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.885 1 O4'-C1'-N19 112.481 4.281 . 0.561 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 201' ' ' ARG . . . . . . . . . . . . . 20.1 ttp85 . . . . . 0 CA--C 1.553 1.084 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 202' ' ' ARG . . . . . . . . . . . . . 63.8 ttp85 -156.01 74.88 0.87 Allowed 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 120.994 1.724 . . . . 0.0 109.695 172.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 203' ' ' GLY . . . . . . . . . . . . . . . -57.67 -57.04 21.89 Favored Glycine 0 CA--C 1.53 0.992 0 CA-C-N 117.793 0.269 . . . . 0.0 112.712 -177.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 4.5 t -121.13 -95.93 0.48 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.866 -175.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 205' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? 51.35 70.06 2.18 Favored Pre-proline 0 N--CA 1.474 0.769 0 CA-C-N 120.136 1.334 . . . . 0.0 109.377 -151.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 206' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -71.84 -179.36 3.75 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 123.009 2.472 . . . . 0.0 111.661 -174.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 207' ' ' SER . . . . . 0.473 ' HG ' " C2'" ' A' ' 6' ' ' ' G' . 46.1 t -55.35 170.3 0.23 Allowed 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 126.41 1.884 . . . . 0.0 112.228 173.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . -68.09 -78.69 0.28 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 108.84 -1.704 . . . . 0.0 108.84 157.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 209' ' ' ALA . . . . . . . . . . . . . . . -57.83 -35.02 70.31 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -173.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -78.28 -20.19 52.07 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 120.192 1.36 . . . . 0.0 112.884 178.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 67.1 ttp85 -69.15 -38.69 78.92 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 119.869 -1.769 . . . . 0.0 108.953 172.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 212' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.13 -20.1 16.13 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 166.414 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 213' ' ' ARG . . . . . . . . . . . . . 47.8 ttt85 -76.4 -53.28 8.38 Favored 'General case' 0 C--N 1.339 0.149 0 CA-C-N 120.217 1.371 . . . . 0.0 110.079 167.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 10.6 ttp85 -57.48 -24.75 57.62 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.606 1.094 . . . . 0.0 112.651 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 215' ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -52.55 -36.13 55.06 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.716 1.207 . . . . 0.0 111.843 172.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 216' ' ' ALA . . . . . . . . . . . . . . . -84.94 2.34 43.29 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 126.302 1.841 . . . . 0.0 113.627 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -105.08 -34.7 7.87 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 125.119 1.368 . . . . 0.0 109.792 169.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -60.81 -59.42 5.42 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 167.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.145 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 176.866 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.854 0 C3'-C2'-O2' 108.395 -1.691 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.256 3 O4'-C1'-N19 114.214 6.014 . 0.493 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.563 1 C3'-C2'-C1' 105.728 4.698 . 0.014 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.099 1 O4'-C1'-N19 113.615 5.415 . 0.567 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.808 1 O4'-C1'-N19 112.523 4.323 . 0.181 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.578 -2.417 1 O4'-C1'-N19 112.8 4.6 . 0.648 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.305 0 C4'-C3'-C2' 100.287 -2.413 . 0.157 4a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ' G' . . . . . 0.43 HO2' ' P ' ' A' ' 9' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.425 -2.347 1 O4'-C1'-N19 113.727 5.527 . 0.506 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ' C' . . . . . 0.43 ' P ' HO2' ' A' ' 8' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.158 1 O4'-C1'-N19 113.695 5.495 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.547 0 O4'-C1'-N19 111.323 3.123 . 0.408 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.686 0 O4'-C1'-N19 112.129 3.929 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.475 0 C4'-C3'-C2' 99.828 -2.872 . 0.835 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.176 1 O4'-C1'-N19 112.526 4.326 . 0.447 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.648 2 C3'-C2'-C1' 105.745 4.717 . 0.038 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.474 2 C3'-C2'-C1' 106.018 5.02 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.82 0 P-O3'-C3' 124.193 3.744 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.199 1 O4'-C1'-N19 112.428 4.228 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.62 1 O4'-C1'-N19 113.123 4.923 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.703 2 C4'-C3'-C2' 97.807 -4.893 . 0.413 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.407 -2.059 1 O4'-C1'-N19 112.702 4.502 OUTLIER-DELTA 0.07 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ' U' . . . . . 0.406 " H2'" ' C8 ' ' A' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.263 0 O4'-C1'-N19 111.092 2.892 . 0.05 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ' G' . . . . . 0.406 ' C8 ' " H2'" ' A' ' 21' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.852 0 C3'-C2'-O2' 106.371 -2.389 . 0.638 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.637 0 C5'-C4'-C3' 109.618 -3.921 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.616 1 O4'-C1'-N19 113.364 5.164 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.911 0 C5'-C4'-C3' 111.699 -2.534 . 0.725 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.162 0 C3'-C2'-C1' 98.871 -2.921 . 0.0 OUTLIER '7D dist 5p wannabe' 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.932 0 O4'-C1'-N19 111.798 3.598 . 0.0 OUTLIER '7D dist 6p' 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.177 0 C3'-C2'-C1' 105.067 3.963 . 0.058 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.313 0 O4'-C1'-N19 112.099 3.899 . 0.254 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.114 0 O4'-C1'-N19 111.918 3.718 . 0.241 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.744 0 O4'-C1'-N19 111.647 3.447 . 0.231 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.466 0 O4'-C1'-N19 111.533 3.333 . 0.402 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.99 0 O4'-C1'-N19 110.497 2.297 . 0.628 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.26 0 C3'-C2'-C1' 104.337 3.152 . 0.224 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 201' ' ' ARG . . . . . . . . . . . . . 51.8 mtm180 . . . . . 0 N--CA 1.47 0.557 0 N-CA-C 106.253 -1.758 . . . . 0.0 106.253 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 202' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -174.08 104.31 0.11 Allowed 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 -167.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 203' ' ' GLY . . . . . . . . . . . . . . . -125.03 47.72 1.0 Allowed Glycine 0 CA--C 1.528 0.887 0 C-N-CA 124.376 0.989 . . . . 0.0 112.179 -176.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 5.6 t 34.64 53.41 0.61 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 129.054 2.942 . . . . 0.0 114.237 168.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 205' ' ' ARG . . . . . . . . . . . . . 18.1 mtm105 -64.02 150.12 92.44 Favored Pre-proline 0 C--O 1.235 0.339 0 C-N-CA 124.879 1.272 . . . . 0.0 108.807 177.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 206' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -66.33 154.85 72.64 Favored 'Trans proline' 0 N--CA 1.452 -0.936 0 CA-C-N 120.269 1.132 . . . . 0.0 110.596 168.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 207' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.56 147.66 51.63 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 125.612 1.565 . . . . 0.0 109.608 174.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . -45.61 -54.08 7.94 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 125.417 1.484 . . . . 0.0 114.577 -166.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 209' ' ' ALA . . . . . . . . . . . . . . . -67.32 -33.1 74.55 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.848 -0.795 . . . . 0.0 112.45 -173.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -78.33 -32.28 49.11 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.322 1.449 . . . . 0.0 110.39 171.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -26.03 67.07 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 120.312 -1.493 . . . . 0.0 110.697 176.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 212' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.37 -28.18 41.39 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.902 1.228 . . . . 0.0 111.973 164.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 213' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -84.61 -46.56 11.41 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 121.333 -0.854 . . . . 0.0 110.386 173.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.82 -37.71 69.04 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.206 0.912 . . . . 0.0 111.132 177.412 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 215' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -50.04 -63.48 1.1 Allowed 'General case' 0 CA--C 1.505 -0.75 0 C-N-CA 126.513 1.925 . . . . 0.0 106.994 175.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.89 -7.72 9.0 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 115.224 1.564 . . . . 0.0 115.224 -177.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -74.01 -38.32 64.12 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 119.37 0.986 . . . . 0.0 110.601 171.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -161.68 81.78 0.59 Allowed 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 126.604 1.961 . . . . 0.0 107.223 174.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.967 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 169.981 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 201' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.427 0 CA-C-O 119.269 -0.396 . . . . 0.0 109.97 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 202' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 46.15 76.71 0.09 Allowed 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 130.561 3.544 . . . . 0.0 113.002 164.11 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 203' ' ' GLY . . . . . . . . . . . . . . . -159.25 83.57 0.13 Allowed Glycine 0 C--N 1.335 0.509 0 O-C-N 121.613 -0.68 . . . . 0.0 111.879 -178.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 2.2 m -122.75 -121.49 0.28 Allowed 'General case' 0 N--CA 1.429 -1.506 0 C-N-CA 126.504 1.922 . . . . 0.0 106.234 168.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 205' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -139.35 77.34 29.8 Favored Pre-proline 0 N--CA 1.469 0.514 0 CA-C-N 120.614 1.552 . . . . 0.0 108.464 174.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 206' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -77.73 33.55 0.45 Allowed 'Trans proline' 0 CA--C 1.545 1.061 0 C-N-CA 122.463 2.109 . . . . 0.0 111.818 174.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 207' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.07 126.72 28.95 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 126.093 1.757 . . . . 0.0 108.082 -167.297 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . -42.78 -64.92 1.51 Allowed Glycine 0 CA--C 1.526 0.776 0 CA-C-N 120.391 1.45 . . . . 0.0 113.371 -160.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 209' ' ' ALA . . . . . . . . . . . . . . . -63.66 -24.36 67.75 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 -177.515 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -83.35 -40.0 20.01 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 119.188 0.904 . . . . 0.0 110.113 178.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -36.89 79.59 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-O 117.307 -1.33 . . . . 0.0 108.403 176.66 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 212' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -43.11 -46.24 5.72 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 125.482 1.513 . . . . 0.0 112.371 174.017 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 213' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -65.26 -31.88 73.25 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 122.858 0.463 . . . . 0.0 112.059 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 10.6 ttm-85 -79.94 -38.1 33.12 Favored 'General case' 0 C--O 1.225 -0.19 0 C-N-CA 124.04 0.936 . . . . 0.0 111.601 173.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 215' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -57.06 -48.19 79.15 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 119.569 1.077 . . . . 0.0 108.188 175.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 216' ' ' ALA . . . . . . . . . . . . . . . -67.15 14.23 0.05 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.642 1.977 . . . . 0.0 114.741 170.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -108.62 -21.3 12.76 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 120.164 1.347 . . . . 0.0 111.882 164.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -64.98 -49.18 71.29 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 119.223 0.919 . . . . 0.0 109.951 170.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.166 0 C-N-CA 125.313 1.445 . . . . 0.0 110.21 177.958 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 201' ' ' ARG . . . . . . . . . . . . . 87.9 mtt-85 . . . . . 0 N--CA 1.467 0.418 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 202' ' ' ARG . . . . . . . . . . . . . 16.0 ttp85 56.54 30.63 17.57 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.874 1.27 . . . . 0.0 112.45 170.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 203' ' ' GLY . . . . . . . . . . . . . . . -66.69 8.36 1.18 Allowed Glycine 0 CA--C 1.536 1.346 0 C-N-CA 124.557 1.075 . . . . 0.0 114.636 178.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 8.3 t -135.59 75.41 1.56 Allowed 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 119.588 1.694 . . . . 0.0 107.286 177.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 205' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.34 126.78 93.04 Favored Pre-proline 0 C--O 1.237 0.425 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 167.109 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 206' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -73.23 164.35 35.56 Favored 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 122.076 1.85 . . . . 0.0 109.883 173.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 207' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.25 131.19 55.3 Favored 'General case' 0 N--CA 1.431 -1.412 0 N-CA-C 105.366 -2.086 . . . . 0.0 105.366 163.329 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . -53.95 -63.16 5.39 Favored Glycine 0 CA--C 1.523 0.535 0 CA-C-N 118.982 0.81 . . . . 0.0 112.942 -159.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 209' ' ' ALA . . . . . . . . . . . . . . . -74.36 -12.77 60.62 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -76.48 -24.76 53.82 Favored 'General case' 0 C--O 1.237 0.444 0 O-C-N 120.627 -1.296 . . . . 0.0 111.471 174.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -61.01 -26.55 67.69 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.73 -0.606 . . . . 0.0 111.152 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 212' ' ' ARG . . . . . . . . . . . . . 21.4 mtt180 -58.63 -31.85 68.51 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 125.092 1.357 . . . . 0.0 112.483 171.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 213' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -77.79 -28.39 50.43 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 119.461 1.028 . . . . 0.0 110.835 174.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.6 -31.6 68.21 Favored 'General case' 0 N--CA 1.463 0.199 0 O-C-N 121.48 -0.762 . . . . 0.0 110.562 173.655 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 215' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -58.56 -48.5 80.69 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 118.693 0.679 . . . . 0.0 109.881 177.402 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 216' ' ' ALA . . . . . . . . . . . . . . . -66.53 -29.5 69.6 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -75.09 -31.61 61.25 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 126.388 1.875 . . . . 0.0 111.722 178.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -73.38 -40.5 64.28 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 124.537 1.135 . . . . 0.0 110.628 169.102 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.257 1.456 0 C-N-CA 127.066 2.146 . . . . 0.0 112.825 -177.222 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 201' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.553 1.078 0 CA-C-O 117.86 -1.067 . . . . 0.0 110.652 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 202' ' ' ARG . . . . . . . . . . . . . 21.6 ttt-85 -157.82 79.45 0.85 Allowed 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 121.361 1.892 . . . . 0.0 112.34 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 203' ' ' GLY . . . . . . . . . . . . . . . -75.83 36.79 1.24 Allowed Glycine 0 CA--C 1.536 1.354 0 O-C-N 120.365 -1.459 . . . . 0.0 115.292 -177.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 25.3 t -72.5 36.95 0.07 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 129.051 2.941 . . . . 0.0 113.571 -171.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 205' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -67.79 123.87 88.01 Favored Pre-proline 0 C--O 1.234 0.244 0 O-C-N 120.912 -1.118 . . . . 0.0 111.384 -178.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 206' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -68.96 165.39 30.17 Favored 'Trans proline' 0 N--CA 1.452 -0.951 0 CA-C-N 119.512 0.861 . . . . 0.0 110.103 156.284 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 207' ' ' SER . . . . . . . . . . . . . 85.0 p -82.81 -179.18 7.36 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 126.219 1.807 . . . . 0.0 114.05 -164.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . -47.82 -58.47 6.85 Favored Glycine 0 CA--C 1.529 0.945 0 CA-C-O 119.253 -0.748 . . . . 0.0 111.392 177.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 209' ' ' ALA . . . . . . . . . . . . . . . -82.04 -27.67 32.88 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.067 0.933 . . . . 0.0 112.25 -178.135 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -75.18 -41.75 57.26 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 120.696 1.589 . . . . 0.0 110.158 -179.065 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -62.61 -30.3 71.24 Favored 'General case' 0 N--CA 1.456 -0.142 0 O-C-N 120.586 -1.321 . . . . 0.0 110.122 172.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 212' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -55.09 -52.11 64.26 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 120.914 1.688 . . . . 0.0 111.106 167.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 213' ' ' ARG . . . . . . . . . . . . . 35.6 ttm105 -58.09 -45.51 87.05 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-O 118.492 -0.766 . . . . 0.0 109.522 175.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 23.6 ttp180 -56.19 -48.15 76.93 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 119.306 0.957 . . . . 0.0 111.627 177.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 215' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -57.08 -48.38 78.74 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 125.546 1.538 . . . . 0.0 108.493 -177.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 216' ' ' ALA . . . . . . . . . . . . . . . -79.79 -1.02 36.95 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 114.611 1.338 . . . . 0.0 114.611 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -100.56 -7.42 24.09 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.436 1.094 . . . . 0.0 111.501 173.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -94.8 -17.43 22.14 Favored 'General case' 0 N--CA 1.439 -0.982 0 C-N-CA 125.973 1.709 . . . . 0.0 113.135 177.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.3 0 CA-C-O 116.722 -1.609 . . . . 0.0 112.688 -176.381 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 201' ' ' ARG . . . . . . . . . . . . . 72.4 mtt85 . . . . . 0 N--CA 1.47 0.57 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 202' ' ' ARG . . . . . . . . . . . . . 20.4 ttm180 30.83 88.26 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 129.744 3.218 . . . . 0.0 112.888 -175.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 203' ' ' GLY . . . . . . . . . . . . . . . -81.02 -124.61 0.63 Allowed Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 107.117 -2.393 . . . . 0.0 107.117 160.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 23.2 t 24.85 60.65 0.05 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 128.852 2.861 . . . . 0.0 112.708 -177.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 205' ' ' ARG . . . . . . . . . . . . . 8.6 ttp-105 -50.23 110.4 1.66 Allowed Pre-proline 0 CA--C 1.54 0.566 0 C-N-CA 126.289 1.835 . . . . 0.0 109.107 -176.207 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 206' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -82.76 82.25 2.24 Favored 'Trans proline' 0 N--CA 1.454 -0.821 0 C-N-CA 122.686 2.257 . . . . 0.0 110.86 -165.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 207' ' ' SER . . . . . . . . . . . . . 19.2 m -65.88 139.05 58.25 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 124.059 0.944 . . . . 0.0 109.29 -177.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . -47.69 -60.04 5.64 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 124.757 1.17 . . . . 0.0 112.776 -164.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 209' ' ' ALA . . . . . . . . . . . . . . . -69.38 -13.1 62.19 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 -178.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -86.05 -53.9 4.8 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 119.987 1.267 . . . . 0.0 108.573 172.57 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -57.22 -24.96 58.13 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 126.085 1.754 . . . . 0.0 111.374 178.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 212' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -44.27 -35.48 2.31 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 126.393 1.877 . . . . 0.0 112.425 168.506 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 213' ' ' ARG . . . . . . . . . . . . . 9.8 ptp85 -69.99 -22.55 63.12 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-O 117.239 -1.362 . . . . 0.0 113.051 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -57.73 -36.27 71.81 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 120.893 1.679 . . . . 0.0 110.257 -178.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 215' ' ' ARG . . . . . . . . . . . . . 54.7 mtm180 -52.64 -58.55 6.44 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 124.619 1.168 . . . . 0.0 108.218 174.314 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 216' ' ' ALA . . . . . . . . . . . . . . . -74.42 16.03 0.29 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.42 1.888 . . . . 0.0 113.414 177.177 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -121.88 -25.32 5.02 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 120.037 1.289 . . . . 0.0 111.386 178.153 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -75.35 -3.5 33.93 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.31 1.444 . . . . 0.0 112.229 155.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.967 0 N-CA-C 107.297 -1.371 . . . . 0.0 107.297 166.367 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 201' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 . . . . . 0 N--CA 1.473 0.718 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 202' ' ' ARG . . . . . . . . . . . . . 35.8 ptt85 24.72 63.88 0.05 Allowed 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 130.591 3.556 . . . . 0.0 116.172 174.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 203' ' ' GLY . . . . . . . . . . . . . . . -68.69 -9.4 58.88 Favored Glycine 0 CA--C 1.531 1.06 0 CA-C-N 115.677 -0.692 . . . . 0.0 114.518 176.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 28.9 t -77.57 61.84 2.39 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.455 1.502 . . . . 0.0 108.909 171.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 205' ' ' ARG . . . . . . . . . . . . . 36.2 mtp85 -44.06 112.95 1.46 Allowed Pre-proline 0 CA--C 1.535 0.402 0 C-N-CA 126.126 1.77 . . . . 0.0 110.123 171.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 206' ' ' PRO . . . . . 0.519 ' HA ' ' HB2' ' B' ' 211' ' ' ARG . 61.1 Cg_endo -80.02 -8.99 14.29 Favored 'Trans proline' 0 CA--C 1.542 0.916 0 C-N-CA 124.001 3.134 . . . . 0.0 112.945 -172.461 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 207' ' ' SER . . . . . . . . . . . . . 4.6 p -96.57 108.49 21.1 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 120.747 -1.221 . . . . 0.0 111.756 -121.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 100.68 38.86 3.32 Favored Glycine 0 CA--C 1.527 0.795 0 C-N-CA 124.97 1.272 . . . . 0.0 111.294 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 209' ' ' ALA . . . . . . . . . . . . . . . 59.04 12.23 2.32 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.75 1.62 . . . . 0.0 112.206 -166.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -68.6 -36.18 78.34 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 120.881 -1.137 . . . . 0.0 112.016 -165.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 211' ' ' ARG . . . . . 0.519 ' HB2' ' HA ' ' B' ' 206' ' ' PRO . 0.2 OUTLIER -78.88 -31.97 45.67 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.176 -0.952 . . . . 0.0 110.305 -178.573 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 212' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -40.72 77.86 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.396 1.078 . . . . 0.0 111.421 162.445 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 213' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -67.14 -22.4 65.79 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 117.822 -1.085 . . . . 0.0 111.809 172.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -57.78 -20.26 34.14 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 121.177 1.808 . . . . 0.0 112.576 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 215' ' ' ARG . . . . . . . . . . . . . 29.4 ttm-85 -50.48 -46.67 57.09 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 121.044 1.747 . . . . 0.0 110.925 168.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 216' ' ' ALA . . . . . . . . . . . . . . . -66.35 -0.49 2.67 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.147 1.379 . . . . 0.0 113.744 -176.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -73.21 -36.5 66.51 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 119.023 0.829 . . . . 0.0 111.567 167.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -147.47 50.14 1.08 Allowed 'General case' 0 N--CA 1.443 -0.825 0 C-N-CA 125.117 1.367 . . . . 0.0 110.29 -173.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 117.709 -1.139 . . . . 0.0 109.373 169.572 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 201' ' ' ARG . . . . . . . . . . . . . 20.1 ttp85 . . . . . 0 CA--C 1.553 1.084 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 202' ' ' ARG . . . . . . . . . . . . . 63.8 ttp85 -156.01 74.88 0.87 Allowed 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 120.994 1.724 . . . . 0.0 109.695 172.202 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 203' ' ' GLY . . . . . . . . . . . . . . . -57.67 -57.04 21.89 Favored Glycine 0 CA--C 1.53 0.992 0 CA-C-N 117.793 0.269 . . . . 0.0 112.712 -177.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 4.5 t -121.13 -95.93 0.48 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.866 -175.26 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 205' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? 51.35 70.06 2.18 Favored Pre-proline 0 N--CA 1.474 0.769 0 CA-C-N 120.136 1.334 . . . . 0.0 109.377 -151.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 206' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -71.84 -179.36 3.75 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 123.009 2.472 . . . . 0.0 111.661 -174.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 207' ' ' SER . . . . . 0.4 ' HB3' ' HB3' ' B' ' 210' ' ' GLU . 46.1 t -55.35 170.3 0.23 Allowed 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 126.41 1.884 . . . . 0.0 112.228 173.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . -68.09 -78.69 0.28 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 108.84 -1.704 . . . . 0.0 108.84 157.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 209' ' ' ALA . . . . . . . . . . . . . . . -57.83 -35.02 70.31 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -173.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 210' ' ' GLU . . . . . 0.4 ' HB3' ' HB3' ' B' ' 207' ' ' SER . 3.9 tt0 -78.28 -20.19 52.07 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 120.192 1.36 . . . . 0.0 112.884 178.029 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 67.1 ttp85 -69.15 -38.69 78.92 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 119.869 -1.769 . . . . 0.0 108.953 172.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 212' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.13 -20.1 16.13 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 166.414 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 213' ' ' ARG . . . . . . . . . . . . . 47.8 ttt85 -76.4 -53.28 8.38 Favored 'General case' 0 C--N 1.339 0.149 0 CA-C-N 120.217 1.371 . . . . 0.0 110.079 167.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 10.6 ttp85 -57.48 -24.75 57.62 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.606 1.094 . . . . 0.0 112.651 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 215' ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -52.55 -36.13 55.06 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.716 1.207 . . . . 0.0 111.843 172.038 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 216' ' ' ALA . . . . . . . . . . . . . . . -84.94 2.34 43.29 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 126.302 1.841 . . . . 0.0 113.627 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -105.08 -34.7 7.87 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 125.119 1.368 . . . . 0.0 109.792 169.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -60.81 -59.42 5.42 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 167.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.145 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 176.866 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 201' ' ' ARG . . . . . . . . . . . . . 51.8 mtm180 . . . . . 0 N--CA 1.47 0.557 0 N-CA-C 106.253 -1.758 . . . . 0.0 106.253 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 202' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -174.08 104.31 0.11 Allowed 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 -167.116 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 203' ' ' GLY . . . . . . . . . . . . . . . -125.03 47.72 1.0 Allowed Glycine 0 CA--C 1.528 0.887 0 C-N-CA 124.376 0.989 . . . . 0.0 112.179 -176.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 5.6 t 34.64 53.41 0.61 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 129.054 2.942 . . . . 0.0 114.237 168.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 205' ' ' ARG . . . . . . . . . . . . . 18.1 mtm105 -64.02 150.12 92.44 Favored Pre-proline 0 C--O 1.235 0.339 0 C-N-CA 124.879 1.272 . . . . 0.0 108.807 177.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 206' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -66.33 154.85 72.64 Favored 'Trans proline' 0 N--CA 1.452 -0.936 0 CA-C-N 120.269 1.132 . . . . 0.0 110.596 168.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 207' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.56 147.66 51.63 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 125.612 1.565 . . . . 0.0 109.608 174.709 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . -45.61 -54.08 7.94 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 125.417 1.484 . . . . 0.0 114.577 -166.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 209' ' ' ALA . . . . . . . . . . . . . . . -67.32 -33.1 74.55 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.848 -0.795 . . . . 0.0 112.45 -173.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -78.33 -32.28 49.11 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.322 1.449 . . . . 0.0 110.39 171.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -26.03 67.07 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 120.312 -1.493 . . . . 0.0 110.697 176.662 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 212' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.37 -28.18 41.39 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.902 1.228 . . . . 0.0 111.973 164.261 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 213' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -84.61 -46.56 11.41 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 121.333 -0.854 . . . . 0.0 110.386 173.489 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.82 -37.71 69.04 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.206 0.912 . . . . 0.0 111.132 177.412 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 215' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -50.04 -63.48 1.1 Allowed 'General case' 0 CA--C 1.505 -0.75 0 C-N-CA 126.513 1.925 . . . . 0.0 106.994 175.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.89 -7.72 9.0 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 115.224 1.564 . . . . 0.0 115.224 -177.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -74.01 -38.32 64.12 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 119.37 0.986 . . . . 0.0 110.601 171.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -161.68 81.78 0.59 Allowed 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 126.604 1.961 . . . . 0.0 107.223 174.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.967 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 169.981 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.683 1 O4'-C1'-N19 114.488 6.288 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.848 3 C4'-C3'-C2' 97.744 -4.956 . 0.308 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.93 1 O4'-C1'-N19 112.564 4.364 . 0.244 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.942 0 O4'-C1'-N19 112.132 3.932 . 0.699 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.562 0 C5'-C4'-O4' 114.334 3.667 . 0.119 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.556 1 O4'-C1'-N19 112.968 4.768 . 0.58 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.222 1 C3'-C2'-C1' 105.297 4.219 . 0.093 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.177 0 O4'-C1'-N19 111.183 2.983 . 0.034 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.096 2 O4'-C1'-N19 114.605 6.405 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.284 0 O4'-C1'-N19 110.729 2.529 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.561 0 O4'-C1'-N19 111.731 3.531 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.5 0 C3'-C2'-C1' 104.424 3.249 . 0.112 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.441 1 O4'-C1'-N19 113.714 5.514 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.994 1 C3'-C2'-C1' 105.355 4.283 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.168 1 O4'-C1'-N19 112.753 4.553 . 0.126 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.175 1 O4'-C1'-N19 113.053 4.853 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.185 0 O4'-C1'-N19 110.858 2.658 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.371 0 C3'-C2'-C1' 104.868 3.742 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.291 1 O4'-C1'-N19 113.904 5.704 . 0.231 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ' C' . . . . . 0.416 " H5'" ' HA ' ' B' ' 201' ' ' ARG . . . . . . . . 0 O4'--C4' 1.428 -2.106 1 C5'-C4'-C3' 108.688 -4.541 . 0.21 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.239 1 C4'-C3'-C2' 98.581 -4.119 . 0.516 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.337 0 P-O3'-C3' 122.765 2.554 . 0.675 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.704 2 C3'-C2'-C1' 105.628 4.586 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.771 1 O4'-C1'-N19 112.737 4.537 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.027 1 O4'-C1'-N19 114.257 6.057 . 0.59 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.136 0 C5'-C4'-O4' 114.082 3.487 . 0.023 5p . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.573 -2.858 1 O4'-C1'-N19 112.494 4.294 . 0.252 6p . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.58 0 O4'-C1'-N19 110.598 2.398 . 0.327 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.614 1 O4'-C1'-N19 112.533 4.333 . 0.334 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.359 0 O4'-C1'-N19 111.954 3.754 . 0.553 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.233 0 C5'-C4'-O4' 114.583 3.845 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.828 1 C4'-C3'-C2' 97.458 -5.242 . 0.407 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.385 1 O4'-C1'-N19 112.714 4.514 . 0.426 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.817 1 O4'-C1'-N19 113.183 4.983 . 0.519 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 201' ' ' ARG . . . . . 0.416 ' HA ' " H5'" ' A' ' 20' ' ' ' C' . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.427 0 CA-C-O 119.269 -0.396 . . . . 0.0 109.97 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 202' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 46.15 76.71 0.09 Allowed 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 130.561 3.544 . . . . 0.0 113.002 164.11 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 203' ' ' GLY . . . . . . . . . . . . . . . -159.25 83.57 0.13 Allowed Glycine 0 C--N 1.335 0.509 0 O-C-N 121.613 -0.68 . . . . 0.0 111.879 -178.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 2.2 m -122.75 -121.49 0.28 Allowed 'General case' 0 N--CA 1.429 -1.506 0 C-N-CA 126.504 1.922 . . . . 0.0 106.234 168.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 205' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -139.35 77.34 29.8 Favored Pre-proline 0 N--CA 1.469 0.514 0 CA-C-N 120.614 1.552 . . . . 0.0 108.464 174.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 206' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -77.73 33.55 0.45 Allowed 'Trans proline' 0 CA--C 1.545 1.061 0 C-N-CA 122.463 2.109 . . . . 0.0 111.818 174.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 207' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.07 126.72 28.95 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 126.093 1.757 . . . . 0.0 108.082 -167.297 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . -42.78 -64.92 1.51 Allowed Glycine 0 CA--C 1.526 0.776 0 CA-C-N 120.391 1.45 . . . . 0.0 113.371 -160.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 209' ' ' ALA . . . . . . . . . . . . . . . -63.66 -24.36 67.75 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 -177.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -83.35 -40.0 20.01 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 119.188 0.904 . . . . 0.0 110.113 178.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -36.89 79.59 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-O 117.307 -1.33 . . . . 0.0 108.403 176.66 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 212' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -43.11 -46.24 5.72 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 125.482 1.513 . . . . 0.0 112.371 174.017 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 213' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -65.26 -31.88 73.25 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 122.858 0.463 . . . . 0.0 112.059 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 10.6 ttm-85 -79.94 -38.1 33.12 Favored 'General case' 0 C--O 1.225 -0.19 0 C-N-CA 124.04 0.936 . . . . 0.0 111.601 173.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 215' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -57.06 -48.19 79.15 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 119.569 1.077 . . . . 0.0 108.188 175.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 216' ' ' ALA . . . . . . . . . . . . . . . -67.15 14.23 0.05 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.642 1.977 . . . . 0.0 114.741 170.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -108.62 -21.3 12.76 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 120.164 1.347 . . . . 0.0 111.882 164.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -64.98 -49.18 71.29 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 119.223 0.919 . . . . 0.0 109.951 170.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.166 0 C-N-CA 125.313 1.445 . . . . 0.0 110.21 177.958 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.774 0 O4'-C1'-N19 111.83 3.63 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.803 0 C5'-C4'-O4' 114.392 3.709 . 0.838 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.57 -3.122 0 O4'-C1'-N19 112.158 3.958 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.211 1 O4'-C1'-N19 112.614 4.414 . 0.739 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.782 0 O4'-C1'-N19 111.802 3.602 . 0.288 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.259 0 O4'-C1'-N19 112.086 3.886 . 0.855 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.921 0 C3'-C2'-O2' 106.864 -2.219 . 0.315 4a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.083 1 O4'-C1'-N19 112.662 4.462 . 0.514 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.315 2 O4'-C1'-N19 113.815 5.615 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.272 1 O4'-C1'-N19 114.531 6.331 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.758 2 C3'-C2'-C1' 106.02 5.022 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.568 2 O4'-C1'-N19 112.488 4.288 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.62 1 O4'-C1'-N19 112.424 4.224 . 0.021 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.1 2 C3'-C2'-C1' 105.253 4.17 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.213 1 O4'-C1'-N19 113.58 5.38 . 0.079 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.226 2 O4'-C1'-N19 113.071 4.871 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.189 0 C4'-C3'-C2' 100.37 -2.33 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.332 2 C3'-C2'-C1' 106.145 5.161 OUTLIER-DELTA 0.01 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.455 1 O4'-C1'-N19 114.892 6.692 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.05 1 O4'-C1'-N19 112.879 4.679 . 0.604 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ' U' . . . . . 0.423 " H2'" ' C8 ' ' A' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.7 0 C3'-C2'-C1' 105.024 3.915 . 0.24 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ' G' . . . . . 0.489 " H2'" ' C6 ' ' A' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.795 0 C4'-C3'-C2' 99.192 -3.508 . 0.699 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.247 1 O4'-C1'-N19 113.715 5.515 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ' C' . . . . . 0.489 ' C6 ' " H2'" ' A' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.285 1 O4'-C1'-N19 112.7 4.5 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.239 0 O4'-C1'-N19 111.394 3.194 . 0.584 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.12 0 O4'-C1'-N19 111.44 3.24 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.284 1 O4'-C1'-N19 112.228 4.028 . 0.262 6p . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.689 0 O4'-C1'-N19 110.46 2.26 . 0.147 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.744 1 O4'-C1'-N19 112.391 4.191 . 0.801 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.612 0 O4'-C1'-N19 111.469 3.269 . 0.576 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.191 2 O4'-C1'-N19 112.798 4.598 . 0.761 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.929 0 O4'-C1'-N19 111.543 3.343 . 0.326 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.624 2 O4'-C1'-N19 113.035 4.835 . 0.606 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.702 1 O4'-C1'-N19 112.404 4.204 . 0.256 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 201' ' ' ARG . . . . . . . . . . . . . 87.9 mtt-85 . . . . . 0 N--CA 1.467 0.418 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 202' ' ' ARG . . . . . . . . . . . . . 16.0 ttp85 56.54 30.63 17.57 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.874 1.27 . . . . 0.0 112.45 170.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 203' ' ' GLY . . . . . . . . . . . . . . . -66.69 8.36 1.18 Allowed Glycine 0 CA--C 1.536 1.346 0 C-N-CA 124.557 1.075 . . . . 0.0 114.636 178.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 8.3 t -135.59 75.41 1.56 Allowed 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 119.588 1.694 . . . . 0.0 107.286 177.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 205' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.34 126.78 93.04 Favored Pre-proline 0 C--O 1.237 0.425 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 167.109 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 206' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -73.23 164.35 35.56 Favored 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 122.076 1.85 . . . . 0.0 109.883 173.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 207' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.25 131.19 55.3 Favored 'General case' 0 N--CA 1.431 -1.412 0 N-CA-C 105.366 -2.086 . . . . 0.0 105.366 163.329 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . -53.95 -63.16 5.39 Favored Glycine 0 CA--C 1.523 0.535 0 CA-C-N 118.982 0.81 . . . . 0.0 112.942 -159.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 209' ' ' ALA . . . . . . . . . . . . . . . -74.36 -12.77 60.62 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -76.48 -24.76 53.82 Favored 'General case' 0 C--O 1.237 0.444 0 O-C-N 120.627 -1.296 . . . . 0.0 111.471 174.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -61.01 -26.55 67.69 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.73 -0.606 . . . . 0.0 111.152 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 212' ' ' ARG . . . . . . . . . . . . . 21.4 mtt180 -58.63 -31.85 68.51 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 125.092 1.357 . . . . 0.0 112.483 171.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 213' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -77.79 -28.39 50.43 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 119.461 1.028 . . . . 0.0 110.835 174.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.6 -31.6 68.21 Favored 'General case' 0 N--CA 1.463 0.199 0 O-C-N 121.48 -0.762 . . . . 0.0 110.562 173.655 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 215' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -58.56 -48.5 80.69 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 118.693 0.679 . . . . 0.0 109.881 177.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 216' ' ' ALA . . . . . . . . . . . . . . . -66.53 -29.5 69.6 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -75.09 -31.61 61.25 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 126.388 1.875 . . . . 0.0 111.722 178.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -73.38 -40.5 64.28 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 124.537 1.135 . . . . 0.0 110.628 169.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.257 1.456 0 C-N-CA 127.066 2.146 . . . . 0.0 112.825 -177.222 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.599 0 O4'-C1'-N19 111.935 3.735 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.87 2 O4'-C1'-N19 113.683 5.483 . 0.187 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.457 1 O4'-C1'-N19 113.893 5.693 . 0.05 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.14 1 O4'-C1'-N19 114.686 6.486 . 0.581 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.604 1 O4'-C1'-N19 114.332 6.132 . 0.524 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.164 0 O4'-C1'-N19 110.888 2.688 . 0.678 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.104 1 O4'-C1'-N19 112.422 4.222 . 0.453 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.145 1 O4'-C1'-N19 114.629 6.429 . 0.24 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.332 3 O4'-C1'-N19 116.802 8.602 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.043 1 O4'-C1'-N19 113.259 5.059 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.057 1 O4'-C1'-N19 114.821 6.621 . 0.102 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.499 1 O4'-C1'-N19 113.558 5.358 . 0.0 OUTLIER '7D dist 2g wannabe' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.606 2 O4'-C1'-N19 114.033 5.833 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.983 2 C3'-C2'-C1' 105.367 4.297 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.178 1 O4'-C1'-N19 113.989 5.789 . 0.08 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 3.001 2 O4'-C1'-N19 113.078 4.878 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.261 0 O4'-C1'-N19 110.494 2.294 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.548 2.218 1 C3'-C2'-C1' 105.472 4.413 . 0.284 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.325 1 O4'-C1'-N19 113.227 5.027 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.97 0 O4'-C1'-N19 111.879 3.679 . 0.134 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.554 0 O4'-C1'-N19 111.878 3.678 . 0.288 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ' G' . . . . . 0.43 " H2'" ' C6 ' ' A' ' 24' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.406 -2.134 1 O4'-C1'-N19 113.598 5.398 . 0.412 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.674 2 O4'-C1'-N19 114.055 5.855 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ' C' . . . . . 0.43 ' C6 ' " H2'" ' A' ' 22' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.541 2.364 1 O4'-C1'-N19 113.078 4.878 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ' G' . . . . . 0.47 " H2'" ' C8 ' ' A' ' 26' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.834 0 C5'-C4'-C3' 110.977 -3.015 . 0.604 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ' G' . . . . . 0.47 ' C8 ' " H2'" ' A' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.779 0 C5'-C4'-O4' 113.946 3.39 . 0.453 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.73 0 O4'-C1'-N19 111.253 3.053 . 0.541 6p . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.633 0 C5'-C4'-C3' 110.797 -3.136 . 0.201 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.576 -2.587 0 O4'-C1'-N19 111.97 3.77 . 0.719 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.823 0 O4'-C1'-N19 111.455 3.255 . 0.573 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.457 1 O4'-C1'-N19 113.55 5.35 . 0.558 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.898 1 O4'-C1'-N19 113.289 5.089 . 0.435 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.287 1 O4'-C1'-N19 112.409 4.209 . 0.467 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.913 0 C3'-C2'-O2' 105.443 -2.709 . 0.723 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 201' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.553 1.078 0 CA-C-O 117.86 -1.067 . . . . 0.0 110.652 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 202' ' ' ARG . . . . . . . . . . . . . 21.6 ttt-85 -157.82 79.45 0.85 Allowed 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 121.361 1.892 . . . . 0.0 112.34 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 203' ' ' GLY . . . . . . . . . . . . . . . -75.83 36.79 1.24 Allowed Glycine 0 CA--C 1.536 1.354 0 O-C-N 120.365 -1.459 . . . . 0.0 115.292 -177.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 25.3 t -72.5 36.95 0.07 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 129.051 2.941 . . . . 0.0 113.571 -171.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 205' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -67.79 123.87 88.01 Favored Pre-proline 0 C--O 1.234 0.244 0 O-C-N 120.912 -1.118 . . . . 0.0 111.384 -178.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 206' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -68.96 165.39 30.17 Favored 'Trans proline' 0 N--CA 1.452 -0.951 0 CA-C-N 119.512 0.861 . . . . 0.0 110.103 156.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 207' ' ' SER . . . . . . . . . . . . . 85.0 p -82.81 -179.18 7.36 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 126.219 1.807 . . . . 0.0 114.05 -164.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . -47.82 -58.47 6.85 Favored Glycine 0 CA--C 1.529 0.945 0 CA-C-O 119.253 -0.748 . . . . 0.0 111.392 177.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 209' ' ' ALA . . . . . . . . . . . . . . . -82.04 -27.67 32.88 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.067 0.933 . . . . 0.0 112.25 -178.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -75.18 -41.75 57.26 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 120.696 1.589 . . . . 0.0 110.158 -179.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -62.61 -30.3 71.24 Favored 'General case' 0 N--CA 1.456 -0.142 0 O-C-N 120.586 -1.321 . . . . 0.0 110.122 172.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 212' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -55.09 -52.11 64.26 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 120.914 1.688 . . . . 0.0 111.106 167.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 213' ' ' ARG . . . . . . . . . . . . . 35.6 ttm105 -58.09 -45.51 87.05 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-O 118.492 -0.766 . . . . 0.0 109.522 175.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 23.6 ttp180 -56.19 -48.15 76.93 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 119.306 0.957 . . . . 0.0 111.627 177.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 215' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -57.08 -48.38 78.74 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 125.546 1.538 . . . . 0.0 108.493 -177.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 216' ' ' ALA . . . . . . . . . . . . . . . -79.79 -1.02 36.95 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 114.611 1.338 . . . . 0.0 114.611 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -100.56 -7.42 24.09 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.436 1.094 . . . . 0.0 111.501 173.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -94.8 -17.43 22.14 Favored 'General case' 0 N--CA 1.439 -0.982 0 C-N-CA 125.973 1.709 . . . . 0.0 113.135 177.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.3 0 CA-C-O 116.722 -1.609 . . . . 0.0 112.688 -176.381 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.631 2 O4'-C1'-N19 113.369 5.169 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.851 1 O4'-C1'-N19 114.329 6.129 . 0.11 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ' U' . . . . . 0.498 " H2'" ' C6 ' ' A' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.741 0 O4'-C1'-N19 111.438 3.238 . 0.285 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ' C' . . . . . 0.498 ' C6 ' " H2'" ' A' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.416 -3.05 0 O4'-C1'-N19 111.569 3.369 . 0.116 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.704 0 O4'-C1'-N19 111.721 3.521 . 0.546 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.61 1 O4'-C1'-N19 113.311 5.111 . 0.538 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ' G' . . . . . 0.407 " H2'" ' C8 ' ' A' ' 8' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.927 0 C5'-C4'-O4' 112.333 2.238 . 0.155 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ' G' . . . . . 0.407 ' C8 ' " H2'" ' A' ' 7' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.248 1 O4'-C1'-N19 112.419 4.219 . 0.497 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.057 3 O4'-C1'-N19 115.179 6.979 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.463 1 O4'-C1'-N19 113.465 5.265 . 0.128 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.684 2 O4'-C1'-N19 113.679 5.479 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.343 2 O4'-C1'-N19 112.913 4.713 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.395 1 O4'-C1'-N19 114.632 6.432 . 0.027 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.155 1 C3'-C2'-C1' 105.616 4.573 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.525 1 O4'-C1'-N19 114.35 6.15 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.237 2 O4'-C1'-N19 113.899 5.699 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.411 0 O4'-C1'-N19 111.031 2.831 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.279 1 O4'-C1'-N19 113.073 4.873 . 0.098 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.059 0 N19-C1'-C2' 107.402 -3.749 . 0.15 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.284 2 C5'-C4'-C3' 105.101 -6.933 . 0.602 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.67 1 O4'-C1'-N19 113.737 5.537 . 0.175 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.262 0 P-O3'-C3' 123.03 2.775 . 0.369 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.05 1 C5'-C4'-C3' 108.814 -4.458 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.836 0 O4'-C1'-N19 112.05 3.85 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 C5'-C4'-C3' 110.971 -3.02 . 0.732 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.744 0 C5'-C4'-O4' 112.813 2.581 . 0.012 5p . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.941 0 O4'-C1'-N19 111.755 3.555 . 0.571 6p . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.629 0 C4'-C3'-C2' 99.612 -3.088 . 0.413 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.604 1 O4'-C1'-N19 112.93 4.73 . 0.4 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.791 0 C4'-C3'-C2' 99.241 -3.459 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.82 2 O4'-C1'-N19 112.9 4.7 . 0.539 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.34 0 O4'-C1'-N19 111.757 3.557 . 0.313 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.467 1 O4'-C1'-N19 113.721 5.521 . 0.648 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.808 1 O4'-C1'-N19 112.363 4.163 . 0.657 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 201' ' ' ARG . . . . . . . . . . . . . 72.4 mtt85 . . . . . 0 N--CA 1.47 0.57 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 202' ' ' ARG . . . . . . . . . . . . . 20.4 ttm180 30.83 88.26 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 129.744 3.218 . . . . 0.0 112.888 -175.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 203' ' ' GLY . . . . . . . . . . . . . . . -81.02 -124.61 0.63 Allowed Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 107.117 -2.393 . . . . 0.0 107.117 160.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 23.2 t 24.85 60.65 0.05 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 128.852 2.861 . . . . 0.0 112.708 -177.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 205' ' ' ARG . . . . . . . . . . . . . 8.6 ttp-105 -50.23 110.4 1.66 Allowed Pre-proline 0 CA--C 1.54 0.566 0 C-N-CA 126.289 1.835 . . . . 0.0 109.107 -176.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 206' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -82.76 82.25 2.24 Favored 'Trans proline' 0 N--CA 1.454 -0.821 0 C-N-CA 122.686 2.257 . . . . 0.0 110.86 -165.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 207' ' ' SER . . . . . . . . . . . . . 19.2 m -65.88 139.05 58.25 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 124.059 0.944 . . . . 0.0 109.29 -177.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . -47.69 -60.04 5.64 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 124.757 1.17 . . . . 0.0 112.776 -164.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 209' ' ' ALA . . . . . . . . . . . . . . . -69.38 -13.1 62.19 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 -178.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -86.05 -53.9 4.8 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 119.987 1.267 . . . . 0.0 108.573 172.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -57.22 -24.96 58.13 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 126.085 1.754 . . . . 0.0 111.374 178.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 212' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -44.27 -35.48 2.31 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 126.393 1.877 . . . . 0.0 112.425 168.506 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 213' ' ' ARG . . . . . . . . . . . . . 9.8 ptp85 -69.99 -22.55 63.12 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-O 117.239 -1.362 . . . . 0.0 113.051 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -57.73 -36.27 71.81 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 120.893 1.679 . . . . 0.0 110.257 -178.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 215' ' ' ARG . . . . . . . . . . . . . 54.7 mtm180 -52.64 -58.55 6.44 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 124.619 1.168 . . . . 0.0 108.218 174.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 216' ' ' ALA . . . . . . . . . . . . . . . -74.42 16.03 0.29 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.42 1.888 . . . . 0.0 113.414 177.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -121.88 -25.32 5.02 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 120.037 1.289 . . . . 0.0 111.386 178.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -75.35 -3.5 33.93 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.31 1.444 . . . . 0.0 112.229 155.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.967 0 N-CA-C 107.297 -1.371 . . . . 0.0 107.297 166.367 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.684 1 O4'-C1'-N19 112.722 4.522 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.162 1 O4'-C1'-N19 112.728 4.528 . 0.089 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.2 1 O4'-C1'-N19 114.307 6.107 . 0.619 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.474 1 O4'-C1'-N19 113.986 5.786 . 0.395 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.611 1 O4'-C1'-N19 113.599 5.399 . 0.645 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.582 -2.078 2 O4'-C1'-N19 113.86 5.66 . 0.723 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.111 1 O4'-C1'-N19 112.549 4.349 . 0.149 4g . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.984 2 O4'-C1'-N19 115.054 6.854 . 0.215 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ' C' . . . . . 0.442 " H2'" ' C8 ' ' A' ' 10' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -2.012 4 C4'-C3'-C2' 95.994 -6.706 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ' G' . . . . . 0.442 ' C8 ' " H2'" ' A' ' 9' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.545 2.691 1 O4'-C1'-N19 114.251 6.051 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ' C' . . . . . 0.432 ' C6 ' " H2'" ' A' ' 10' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.025 1 C3'-C2'-C1' 107.047 6.164 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.71 1 O4'-C1'-N19 112.289 4.089 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.491 2 O4'-C1'-N19 114.277 6.077 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.715 1 C3'-C2'-C1' 105.376 4.307 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.205 1 O4'-C1'-N19 112.415 4.215 . 0.294 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.099 2 O4'-C1'-N19 113.33 5.13 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.287 0 C3'-C2'-C1' 104.129 2.922 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.451 1 C4'-C3'-C2' 98.694 -4.006 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.373 0 O4'-C1'-N19 111.814 3.614 . 0.272 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.005 2 O4'-C1'-N19 113.22 5.02 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ' U' . . . . . 0.449 " H2'" ' C8 ' ' A' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.211 1 C3'-C2'-C1' 105.356 4.284 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ' G' . . . . . 0.449 ' C8 ' " H2'" ' A' ' 21' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.424 -2.386 0 O4'-C1'-N19 111.658 3.458 . 0.462 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.535 1 O4'-C1'-N19 113.129 4.929 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ' C' . . . . . 0.428 ' C6 ' " H2'" ' A' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.428 -2.116 1 O4'-C1'-N19 113.649 5.449 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ' G' . . . . . 0.415 " H3'" " H2'" ' A' ' 26' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.347 1 O4'-C1'-N19 112.713 4.513 . 0.594 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ' G' . . . . . 0.415 " H2'" " H3'" ' A' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.928 1 C4'-C3'-C2' 98.404 -4.296 OUTLIER-DELTA 0.01 5p . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.58 0 O4'-C1'-N19 112.124 3.924 . 0.01 6p . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.913 0 C5'-C4'-C3' 111.904 -2.398 . 0.169 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.184 1 O4'-C1'-N19 113.197 4.997 . 0.812 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.529 0 C4'-C3'-C2' 99.006 -3.694 . 0.518 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.858 0 C5'-C4'-O4' 113.349 2.963 . 0.412 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.183 0 O4'-C1'-N19 111.408 3.208 . 0.681 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.417 1 C3'-C2'-C1' 105.391 4.324 . 0.6 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.945 0 O4'-C1'-N19 111.413 3.213 . 0.32 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 201' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 . . . . . 0 N--CA 1.473 0.718 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 202' ' ' ARG . . . . . . . . . . . . . 35.8 ptt85 24.72 63.88 0.05 Allowed 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 130.591 3.556 . . . . 0.0 116.172 174.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 203' ' ' GLY . . . . . . . . . . . . . . . -68.69 -9.4 58.88 Favored Glycine 0 CA--C 1.531 1.06 0 CA-C-N 115.677 -0.692 . . . . 0.0 114.518 176.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 28.9 t -77.57 61.84 2.39 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.455 1.502 . . . . 0.0 108.909 171.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 205' ' ' ARG . . . . . . . . . . . . . 36.2 mtp85 -44.06 112.95 1.46 Allowed Pre-proline 0 CA--C 1.535 0.402 0 C-N-CA 126.126 1.77 . . . . 0.0 110.123 171.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 206' ' ' PRO . . . . . 0.519 ' HA ' ' HB2' ' B' ' 211' ' ' ARG . 61.1 Cg_endo -80.02 -8.99 14.29 Favored 'Trans proline' 0 CA--C 1.542 0.916 0 C-N-CA 124.001 3.134 . . . . 0.0 112.945 -172.461 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 207' ' ' SER . . . . . . . . . . . . . 4.6 p -96.57 108.49 21.1 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 120.747 -1.221 . . . . 0.0 111.756 -121.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 100.68 38.86 3.32 Favored Glycine 0 CA--C 1.527 0.795 0 C-N-CA 124.97 1.272 . . . . 0.0 111.294 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 209' ' ' ALA . . . . . . . . . . . . . . . 59.04 12.23 2.32 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.75 1.62 . . . . 0.0 112.206 -166.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -68.6 -36.18 78.34 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 120.881 -1.137 . . . . 0.0 112.016 -165.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 211' ' ' ARG . . . . . 0.519 ' HB2' ' HA ' ' B' ' 206' ' ' PRO . 0.2 OUTLIER -78.88 -31.97 45.67 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.176 -0.952 . . . . 0.0 110.305 -178.573 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 212' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -40.72 77.86 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.396 1.078 . . . . 0.0 111.421 162.445 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 213' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -67.14 -22.4 65.79 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 117.822 -1.085 . . . . 0.0 111.809 172.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -57.78 -20.26 34.14 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 121.177 1.808 . . . . 0.0 112.576 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 215' ' ' ARG . . . . . . . . . . . . . 29.4 ttm-85 -50.48 -46.67 57.09 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 121.044 1.747 . . . . 0.0 110.925 168.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 216' ' ' ALA . . . . . . . . . . . . . . . -66.35 -0.49 2.67 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.147 1.379 . . . . 0.0 113.744 -176.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -73.21 -36.5 66.51 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 119.023 0.829 . . . . 0.0 111.567 167.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -147.47 50.14 1.08 Allowed 'General case' 0 N--CA 1.443 -0.825 0 C-N-CA 125.117 1.367 . . . . 0.0 110.29 -173.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 117.709 -1.139 . . . . 0.0 109.373 169.572 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.609 0 O4'-C1'-N19 112.128 3.928 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.905 0 O4'-C1'-N19 111.379 3.179 . 0.846 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.233 0 C3'-C2'-C1' 104.439 3.266 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.182 1 O4'-C1'-N19 112.842 4.642 . 0.401 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.61 1 O4'-C1'-N19 112.229 4.029 . 0.264 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.585 -1.841 2 O4'-C1'-N19 114.924 6.724 . 0.581 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.531 1 O4'-C1'-N19 112.274 4.074 . 0.198 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.233 1 O4'-C1'-N19 113.333 5.133 . 0.29 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.239 2 O4'-C1'-N19 113.016 4.816 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.061 1 O4'-C1'-N19 112.98 4.78 . 0.19 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.448 1 O4'-C1'-N19 113.747 5.547 . 0.069 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.91 0 C3'-C2'-C1' 104.522 3.358 . 0.203 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.494 0 C3'-C2'-C1' 105.004 3.894 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.084 1 C3'-C2'-C1' 106.349 5.388 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.853 2 C3'-C2'-C1' 105.993 4.993 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.139 3 O4'-C1'-N19 113.064 4.864 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.434 0 C3'-C2'-C1' 104.297 3.108 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.645 0 C3'-C2'-C1' 104.858 3.731 . 0.234 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.406 1 O4'-C1'-N19 113.447 5.247 . 0.12 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.1 1 O4'-C1'-N19 114.22 6.02 . 0.285 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.939 2 C3'-C2'-C1' 106.228 5.253 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.254 1 O4'-C1'-N19 112.316 4.116 . 0.113 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.709 0 C3'-C2'-C1' 104.988 3.876 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.791 0 O4'-C1'-N19 111.798 3.598 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.141 0 O4'-C1'-N19 111.847 3.647 . 0.408 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ' G' . . . . . 0.491 ' C8 ' " H1'" ' A' ' 28' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.847 1 O4'-C1'-N19 112.41 4.21 . 0.0 OUTLIER '7D dist 5p wannabe' 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.919 0 O3'-P-O5' 110.474 3.408 . 0.01 6p . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ' A' . . . . . 0.491 " H1'" ' C8 ' ' A' ' 26' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.218 0 O4'-C1'-N19 112.107 3.907 . 0.155 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.817 1 O4'-C1'-N19 112.434 4.234 . 0.28 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.83 0 C5'-C4'-O4' 114.417 3.727 . 0.541 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.845 0 C4'-C3'-C2' 98.766 -3.934 . 0.627 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.899 0 O4'-C1'-N19 112.093 3.893 . 0.423 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.417 1 O4'-C1'-N19 114.46 6.26 . 0.612 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.885 1 O4'-C1'-N19 112.481 4.281 . 0.561 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 201' ' ' ARG . . . . . . . . . . . . . 20.1 ttp85 . . . . . 0 CA--C 1.553 1.084 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 202' ' ' ARG . . . . . . . . . . . . . 63.8 ttp85 -156.01 74.88 0.87 Allowed 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 120.994 1.724 . . . . 0.0 109.695 172.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 203' ' ' GLY . . . . . . . . . . . . . . . -57.67 -57.04 21.89 Favored Glycine 0 CA--C 1.53 0.992 0 CA-C-N 117.793 0.269 . . . . 0.0 112.712 -177.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 4.5 t -121.13 -95.93 0.48 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.866 -175.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 205' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? 51.35 70.06 2.18 Favored Pre-proline 0 N--CA 1.474 0.769 0 CA-C-N 120.136 1.334 . . . . 0.0 109.377 -151.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 206' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -71.84 -179.36 3.75 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 123.009 2.472 . . . . 0.0 111.661 -174.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 207' ' ' SER . . . . . 0.4 ' HB3' ' HB3' ' B' ' 210' ' ' GLU . 46.1 t -55.35 170.3 0.23 Allowed 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 126.41 1.884 . . . . 0.0 112.228 173.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . -68.09 -78.69 0.28 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 108.84 -1.704 . . . . 0.0 108.84 157.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 209' ' ' ALA . . . . . . . . . . . . . . . -57.83 -35.02 70.31 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -173.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 210' ' ' GLU . . . . . 0.4 ' HB3' ' HB3' ' B' ' 207' ' ' SER . 3.9 tt0 -78.28 -20.19 52.07 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 120.192 1.36 . . . . 0.0 112.884 178.029 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 67.1 ttp85 -69.15 -38.69 78.92 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 119.869 -1.769 . . . . 0.0 108.953 172.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 212' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.13 -20.1 16.13 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 166.414 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 213' ' ' ARG . . . . . . . . . . . . . 47.8 ttt85 -76.4 -53.28 8.38 Favored 'General case' 0 C--N 1.339 0.149 0 CA-C-N 120.217 1.371 . . . . 0.0 110.079 167.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 10.6 ttp85 -57.48 -24.75 57.62 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.606 1.094 . . . . 0.0 112.651 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 215' ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -52.55 -36.13 55.06 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.716 1.207 . . . . 0.0 111.843 172.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 216' ' ' ALA . . . . . . . . . . . . . . . -84.94 2.34 43.29 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 126.302 1.841 . . . . 0.0 113.627 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -105.08 -34.7 7.87 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 125.119 1.368 . . . . 0.0 109.792 169.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -60.81 -59.42 5.42 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 167.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.145 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 176.866 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.854 0 C3'-C2'-O2' 108.395 -1.691 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.256 3 O4'-C1'-N19 114.214 6.014 . 0.493 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.563 1 C3'-C2'-C1' 105.728 4.698 . 0.014 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.099 1 O4'-C1'-N19 113.615 5.415 . 0.567 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.808 1 O4'-C1'-N19 112.523 4.323 . 0.181 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.578 -2.417 1 O4'-C1'-N19 112.8 4.6 . 0.648 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.305 0 C4'-C3'-C2' 100.287 -2.413 . 0.157 4a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.347 1 O4'-C1'-N19 113.727 5.527 . 0.506 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.158 1 O4'-C1'-N19 113.695 5.495 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.547 0 O4'-C1'-N19 111.323 3.123 . 0.408 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.686 0 O4'-C1'-N19 112.129 3.929 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.475 0 C4'-C3'-C2' 99.828 -2.872 . 0.835 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.176 1 O4'-C1'-N19 112.526 4.326 . 0.447 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.648 2 C3'-C2'-C1' 105.745 4.717 . 0.038 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.474 2 C3'-C2'-C1' 106.018 5.02 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.82 0 P-O3'-C3' 124.193 3.744 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.199 1 O4'-C1'-N19 112.428 4.228 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.62 1 O4'-C1'-N19 113.123 4.923 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.703 2 C4'-C3'-C2' 97.807 -4.893 . 0.413 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.407 -2.059 1 O4'-C1'-N19 112.702 4.502 OUTLIER-DELTA 0.07 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ' U' . . . . . 0.414 " H2'" ' C8 ' ' A' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.263 0 O4'-C1'-N19 111.092 2.892 . 0.05 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ' G' . . . . . 0.414 ' C8 ' " H2'" ' A' ' 21' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.852 0 C3'-C2'-O2' 106.371 -2.389 . 0.638 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.637 0 C5'-C4'-C3' 109.618 -3.921 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ' C' . . . . . 0.435 " H2'" ' C8 ' ' A' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.616 1 O4'-C1'-N19 113.364 5.164 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ' G' . . . . . 0.435 ' C8 ' " H2'" ' A' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.911 0 C5'-C4'-C3' 111.699 -2.534 . 0.725 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.162 0 C3'-C2'-C1' 98.871 -2.921 . 0.0 OUTLIER '7D dist 5p wannabe' 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ' U' . . . . . 0.409 " H5'" ' NE ' ' B' ' 215' ' ' ARG . . . . . . . . 0 O4'--C4' 1.418 -2.932 0 O4'-C1'-N19 111.798 3.598 . 0.0 OUTLIER '7D dist 6p' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.177 0 C3'-C2'-C1' 105.067 3.963 . 0.058 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.313 0 O4'-C1'-N19 112.099 3.899 . 0.254 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.114 0 O4'-C1'-N19 111.918 3.718 . 0.241 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.744 0 O4'-C1'-N19 111.647 3.447 . 0.231 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.466 0 O4'-C1'-N19 111.533 3.333 . 0.402 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.99 0 O4'-C1'-N19 110.497 2.297 . 0.628 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.26 0 C3'-C2'-C1' 104.337 3.152 . 0.224 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 201' ' ' ARG . . . . . . . . . . . . . 51.8 mtm180 . . . . . 0 N--CA 1.47 0.557 0 N-CA-C 106.253 -1.758 . . . . 0.0 106.253 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 202' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -174.08 104.31 0.11 Allowed 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 -167.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 203' ' ' GLY . . . . . . . . . . . . . . . -125.03 47.72 1.0 Allowed Glycine 0 CA--C 1.528 0.887 0 C-N-CA 124.376 0.989 . . . . 0.0 112.179 -176.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 5.6 t 34.64 53.41 0.61 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 129.054 2.942 . . . . 0.0 114.237 168.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 205' ' ' ARG . . . . . . . . . . . . . 18.1 mtm105 -64.02 150.12 92.44 Favored Pre-proline 0 C--O 1.235 0.339 0 C-N-CA 124.879 1.272 . . . . 0.0 108.807 177.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 206' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -66.33 154.85 72.64 Favored 'Trans proline' 0 N--CA 1.452 -0.936 0 CA-C-N 120.269 1.132 . . . . 0.0 110.596 168.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 207' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.56 147.66 51.63 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 125.612 1.565 . . . . 0.0 109.608 174.709 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . -45.61 -54.08 7.94 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 125.417 1.484 . . . . 0.0 114.577 -166.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 209' ' ' ALA . . . . . . . . . . . . . . . -67.32 -33.1 74.55 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.848 -0.795 . . . . 0.0 112.45 -173.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -78.33 -32.28 49.11 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.322 1.449 . . . . 0.0 110.39 171.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -26.03 67.07 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 120.312 -1.493 . . . . 0.0 110.697 176.662 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 212' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.37 -28.18 41.39 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.902 1.228 . . . . 0.0 111.973 164.261 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 213' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -84.61 -46.56 11.41 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 121.333 -0.854 . . . . 0.0 110.386 173.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.82 -37.71 69.04 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.206 0.912 . . . . 0.0 111.132 177.412 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 215' ' ' ARG . . . . . 0.409 ' NE ' " H5'" ' A' ' 27' ' ' ' U' . 26.5 ttm180 -50.04 -63.48 1.1 Allowed 'General case' 0 CA--C 1.505 -0.75 0 C-N-CA 126.513 1.925 . . . . 0.0 106.994 175.385 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.89 -7.72 9.0 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 115.224 1.564 . . . . 0.0 115.224 -177.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -74.01 -38.32 64.12 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 119.37 0.986 . . . . 0.0 110.601 171.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -161.68 81.78 0.59 Allowed 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 126.604 1.961 . . . . 0.0 107.223 174.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.967 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 169.981 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 201' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.427 0 CA-C-O 119.269 -0.396 . . . . 0.0 109.97 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 202' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 46.15 76.71 0.09 Allowed 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 130.561 3.544 . . . . 0.0 113.002 164.11 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 203' ' ' GLY . . . . . . . . . . . . . . . -159.25 83.57 0.13 Allowed Glycine 0 C--N 1.335 0.509 0 O-C-N 121.613 -0.68 . . . . 0.0 111.879 -178.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 2.2 m -122.75 -121.49 0.28 Allowed 'General case' 0 N--CA 1.429 -1.506 0 C-N-CA 126.504 1.922 . . . . 0.0 106.234 168.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 205' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -139.35 77.34 29.8 Favored Pre-proline 0 N--CA 1.469 0.514 0 CA-C-N 120.614 1.552 . . . . 0.0 108.464 174.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 206' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -77.73 33.55 0.45 Allowed 'Trans proline' 0 CA--C 1.545 1.061 0 C-N-CA 122.463 2.109 . . . . 0.0 111.818 174.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 207' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.07 126.72 28.95 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 126.093 1.757 . . . . 0.0 108.082 -167.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . -42.78 -64.92 1.51 Allowed Glycine 0 CA--C 1.526 0.776 0 CA-C-N 120.391 1.45 . . . . 0.0 113.371 -160.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 209' ' ' ALA . . . . . . . . . . . . . . . -63.66 -24.36 67.75 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 -177.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -83.35 -40.0 20.01 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 119.188 0.904 . . . . 0.0 110.113 178.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -36.89 79.59 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-O 117.307 -1.33 . . . . 0.0 108.403 176.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 212' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -43.11 -46.24 5.72 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 125.482 1.513 . . . . 0.0 112.371 174.017 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 213' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -65.26 -31.88 73.25 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 122.858 0.463 . . . . 0.0 112.059 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 10.6 ttm-85 -79.94 -38.1 33.12 Favored 'General case' 0 C--O 1.225 -0.19 0 C-N-CA 124.04 0.936 . . . . 0.0 111.601 173.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 215' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -57.06 -48.19 79.15 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 119.569 1.077 . . . . 0.0 108.188 175.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 216' ' ' ALA . . . . . . . . . . . . . . . -67.15 14.23 0.05 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.642 1.977 . . . . 0.0 114.741 170.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -108.62 -21.3 12.76 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 120.164 1.347 . . . . 0.0 111.882 164.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -64.98 -49.18 71.29 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 119.223 0.919 . . . . 0.0 109.951 170.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.166 0 C-N-CA 125.313 1.445 . . . . 0.0 110.21 177.958 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 201' ' ' ARG . . . . . . . . . . . . . 87.9 mtt-85 . . . . . 0 N--CA 1.467 0.418 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 202' ' ' ARG . . . . . . . . . . . . . 16.0 ttp85 56.54 30.63 17.57 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.874 1.27 . . . . 0.0 112.45 170.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 203' ' ' GLY . . . . . . . . . . . . . . . -66.69 8.36 1.18 Allowed Glycine 0 CA--C 1.536 1.346 0 C-N-CA 124.557 1.075 . . . . 0.0 114.636 178.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 8.3 t -135.59 75.41 1.56 Allowed 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 119.588 1.694 . . . . 0.0 107.286 177.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 205' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.34 126.78 93.04 Favored Pre-proline 0 C--O 1.237 0.425 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 167.109 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 206' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -73.23 164.35 35.56 Favored 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 122.076 1.85 . . . . 0.0 109.883 173.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 207' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.25 131.19 55.3 Favored 'General case' 0 N--CA 1.431 -1.412 0 N-CA-C 105.366 -2.086 . . . . 0.0 105.366 163.329 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . -53.95 -63.16 5.39 Favored Glycine 0 CA--C 1.523 0.535 0 CA-C-N 118.982 0.81 . . . . 0.0 112.942 -159.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 209' ' ' ALA . . . . . . . . . . . . . . . -74.36 -12.77 60.62 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -76.48 -24.76 53.82 Favored 'General case' 0 C--O 1.237 0.444 0 O-C-N 120.627 -1.296 . . . . 0.0 111.471 174.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -61.01 -26.55 67.69 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.73 -0.606 . . . . 0.0 111.152 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 212' ' ' ARG . . . . . . . . . . . . . 21.4 mtt180 -58.63 -31.85 68.51 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 125.092 1.357 . . . . 0.0 112.483 171.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 213' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -77.79 -28.39 50.43 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 119.461 1.028 . . . . 0.0 110.835 174.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.6 -31.6 68.21 Favored 'General case' 0 N--CA 1.463 0.199 0 O-C-N 121.48 -0.762 . . . . 0.0 110.562 173.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 215' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -58.56 -48.5 80.69 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 118.693 0.679 . . . . 0.0 109.881 177.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 216' ' ' ALA . . . . . . . . . . . . . . . -66.53 -29.5 69.6 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -75.09 -31.61 61.25 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 126.388 1.875 . . . . 0.0 111.722 178.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -73.38 -40.5 64.28 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 124.537 1.135 . . . . 0.0 110.628 169.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.257 1.456 0 C-N-CA 127.066 2.146 . . . . 0.0 112.825 -177.222 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 201' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.553 1.078 0 CA-C-O 117.86 -1.067 . . . . 0.0 110.652 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 202' ' ' ARG . . . . . . . . . . . . . 21.6 ttt-85 -157.82 79.45 0.85 Allowed 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 121.361 1.892 . . . . 0.0 112.34 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 203' ' ' GLY . . . . . . . . . . . . . . . -75.83 36.79 1.24 Allowed Glycine 0 CA--C 1.536 1.354 0 O-C-N 120.365 -1.459 . . . . 0.0 115.292 -177.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 25.3 t -72.5 36.95 0.07 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 129.051 2.941 . . . . 0.0 113.571 -171.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 205' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -67.79 123.87 88.01 Favored Pre-proline 0 C--O 1.234 0.244 0 O-C-N 120.912 -1.118 . . . . 0.0 111.384 -178.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 206' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -68.96 165.39 30.17 Favored 'Trans proline' 0 N--CA 1.452 -0.951 0 CA-C-N 119.512 0.861 . . . . 0.0 110.103 156.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 207' ' ' SER . . . . . . . . . . . . . 85.0 p -82.81 -179.18 7.36 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 126.219 1.807 . . . . 0.0 114.05 -164.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . -47.82 -58.47 6.85 Favored Glycine 0 CA--C 1.529 0.945 0 CA-C-O 119.253 -0.748 . . . . 0.0 111.392 177.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 209' ' ' ALA . . . . . . . . . . . . . . . -82.04 -27.67 32.88 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.067 0.933 . . . . 0.0 112.25 -178.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -75.18 -41.75 57.26 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 120.696 1.589 . . . . 0.0 110.158 -179.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -62.61 -30.3 71.24 Favored 'General case' 0 N--CA 1.456 -0.142 0 O-C-N 120.586 -1.321 . . . . 0.0 110.122 172.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 212' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -55.09 -52.11 64.26 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 120.914 1.688 . . . . 0.0 111.106 167.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 213' ' ' ARG . . . . . . . . . . . . . 35.6 ttm105 -58.09 -45.51 87.05 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-O 118.492 -0.766 . . . . 0.0 109.522 175.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 23.6 ttp180 -56.19 -48.15 76.93 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 119.306 0.957 . . . . 0.0 111.627 177.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 215' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -57.08 -48.38 78.74 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 125.546 1.538 . . . . 0.0 108.493 -177.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 216' ' ' ALA . . . . . . . . . . . . . . . -79.79 -1.02 36.95 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 114.611 1.338 . . . . 0.0 114.611 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -100.56 -7.42 24.09 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.436 1.094 . . . . 0.0 111.501 173.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -94.8 -17.43 22.14 Favored 'General case' 0 N--CA 1.439 -0.982 0 C-N-CA 125.973 1.709 . . . . 0.0 113.135 177.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.3 0 CA-C-O 116.722 -1.609 . . . . 0.0 112.688 -176.381 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 201' ' ' ARG . . . . . . . . . . . . . 72.4 mtt85 . . . . . 0 N--CA 1.47 0.57 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 202' ' ' ARG . . . . . . . . . . . . . 20.4 ttm180 30.83 88.26 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 129.744 3.218 . . . . 0.0 112.888 -175.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 203' ' ' GLY . . . . . . . . . . . . . . . -81.02 -124.61 0.63 Allowed Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 107.117 -2.393 . . . . 0.0 107.117 160.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 23.2 t 24.85 60.65 0.05 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 128.852 2.861 . . . . 0.0 112.708 -177.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 205' ' ' ARG . . . . . . . . . . . . . 8.6 ttp-105 -50.23 110.4 1.66 Allowed Pre-proline 0 CA--C 1.54 0.566 0 C-N-CA 126.289 1.835 . . . . 0.0 109.107 -176.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 206' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -82.76 82.25 2.24 Favored 'Trans proline' 0 N--CA 1.454 -0.821 0 C-N-CA 122.686 2.257 . . . . 0.0 110.86 -165.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 207' ' ' SER . . . . . . . . . . . . . 19.2 m -65.88 139.05 58.25 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 124.059 0.944 . . . . 0.0 109.29 -177.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . -47.69 -60.04 5.64 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 124.757 1.17 . . . . 0.0 112.776 -164.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 209' ' ' ALA . . . . . . . . . . . . . . . -69.38 -13.1 62.19 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 -178.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -86.05 -53.9 4.8 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 119.987 1.267 . . . . 0.0 108.573 172.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -57.22 -24.96 58.13 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 126.085 1.754 . . . . 0.0 111.374 178.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 212' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -44.27 -35.48 2.31 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 126.393 1.877 . . . . 0.0 112.425 168.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 213' ' ' ARG . . . . . . . . . . . . . 9.8 ptp85 -69.99 -22.55 63.12 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-O 117.239 -1.362 . . . . 0.0 113.051 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -57.73 -36.27 71.81 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 120.893 1.679 . . . . 0.0 110.257 -178.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 215' ' ' ARG . . . . . . . . . . . . . 54.7 mtm180 -52.64 -58.55 6.44 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 124.619 1.168 . . . . 0.0 108.218 174.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 216' ' ' ALA . . . . . . . . . . . . . . . -74.42 16.03 0.29 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.42 1.888 . . . . 0.0 113.414 177.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -121.88 -25.32 5.02 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 120.037 1.289 . . . . 0.0 111.386 178.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -75.35 -3.5 33.93 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.31 1.444 . . . . 0.0 112.229 155.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.967 0 N-CA-C 107.297 -1.371 . . . . 0.0 107.297 166.367 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 201' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 . . . . . 0 N--CA 1.473 0.718 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 202' ' ' ARG . . . . . . . . . . . . . 35.8 ptt85 24.72 63.88 0.05 Allowed 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 130.591 3.556 . . . . 0.0 116.172 174.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 203' ' ' GLY . . . . . . . . . . . . . . . -68.69 -9.4 58.88 Favored Glycine 0 CA--C 1.531 1.06 0 CA-C-N 115.677 -0.692 . . . . 0.0 114.518 176.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 28.9 t -77.57 61.84 2.39 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.455 1.502 . . . . 0.0 108.909 171.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 205' ' ' ARG . . . . . . . . . . . . . 36.2 mtp85 -44.06 112.95 1.46 Allowed Pre-proline 0 CA--C 1.535 0.402 0 C-N-CA 126.126 1.77 . . . . 0.0 110.123 171.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 206' ' ' PRO . . . . . 0.519 ' HA ' ' HB2' ' B' ' 211' ' ' ARG . 61.1 Cg_endo -80.02 -8.99 14.29 Favored 'Trans proline' 0 CA--C 1.542 0.916 0 C-N-CA 124.001 3.134 . . . . 0.0 112.945 -172.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 207' ' ' SER . . . . . . . . . . . . . 4.6 p -96.57 108.49 21.1 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 120.747 -1.221 . . . . 0.0 111.756 -121.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 100.68 38.86 3.32 Favored Glycine 0 CA--C 1.527 0.795 0 C-N-CA 124.97 1.272 . . . . 0.0 111.294 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 209' ' ' ALA . . . . . . . . . . . . . . . 59.04 12.23 2.32 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.75 1.62 . . . . 0.0 112.206 -166.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -68.6 -36.18 78.34 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 120.881 -1.137 . . . . 0.0 112.016 -165.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 211' ' ' ARG . . . . . 0.519 ' HB2' ' HA ' ' B' ' 206' ' ' PRO . 0.2 OUTLIER -78.88 -31.97 45.67 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.176 -0.952 . . . . 0.0 110.305 -178.573 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 212' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -40.72 77.86 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.396 1.078 . . . . 0.0 111.421 162.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 213' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -67.14 -22.4 65.79 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 117.822 -1.085 . . . . 0.0 111.809 172.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -57.78 -20.26 34.14 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 121.177 1.808 . . . . 0.0 112.576 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 215' ' ' ARG . . . . . . . . . . . . . 29.4 ttm-85 -50.48 -46.67 57.09 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 121.044 1.747 . . . . 0.0 110.925 168.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 216' ' ' ALA . . . . . . . . . . . . . . . -66.35 -0.49 2.67 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.147 1.379 . . . . 0.0 113.744 -176.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -73.21 -36.5 66.51 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 119.023 0.829 . . . . 0.0 111.567 167.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -147.47 50.14 1.08 Allowed 'General case' 0 N--CA 1.443 -0.825 0 C-N-CA 125.117 1.367 . . . . 0.0 110.29 -173.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 117.709 -1.139 . . . . 0.0 109.373 169.572 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 201' ' ' ARG . . . . . . . . . . . . . 20.1 ttp85 . . . . . 0 CA--C 1.553 1.084 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 202' ' ' ARG . . . . . . . . . . . . . 63.8 ttp85 -156.01 74.88 0.87 Allowed 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 120.994 1.724 . . . . 0.0 109.695 172.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 203' ' ' GLY . . . . . . . . . . . . . . . -57.67 -57.04 21.89 Favored Glycine 0 CA--C 1.53 0.992 0 CA-C-N 117.793 0.269 . . . . 0.0 112.712 -177.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 4.5 t -121.13 -95.93 0.48 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.866 -175.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 205' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? 51.35 70.06 2.18 Favored Pre-proline 0 N--CA 1.474 0.769 0 CA-C-N 120.136 1.334 . . . . 0.0 109.377 -151.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 206' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -71.84 -179.36 3.75 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 123.009 2.472 . . . . 0.0 111.661 -174.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 207' ' ' SER . . . . . 0.4 ' HB3' ' HB3' ' B' ' 210' ' ' GLU . 46.1 t -55.35 170.3 0.23 Allowed 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 126.41 1.884 . . . . 0.0 112.228 173.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . -68.09 -78.69 0.28 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 108.84 -1.704 . . . . 0.0 108.84 157.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 209' ' ' ALA . . . . . . . . . . . . . . . -57.83 -35.02 70.31 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -173.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 210' ' ' GLU . . . . . 0.4 ' HB3' ' HB3' ' B' ' 207' ' ' SER . 3.9 tt0 -78.28 -20.19 52.07 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 120.192 1.36 . . . . 0.0 112.884 178.029 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 67.1 ttp85 -69.15 -38.69 78.92 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 119.869 -1.769 . . . . 0.0 108.953 172.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 212' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.13 -20.1 16.13 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 166.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 213' ' ' ARG . . . . . . . . . . . . . 47.8 ttt85 -76.4 -53.28 8.38 Favored 'General case' 0 C--N 1.339 0.149 0 CA-C-N 120.217 1.371 . . . . 0.0 110.079 167.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 10.6 ttp85 -57.48 -24.75 57.62 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.606 1.094 . . . . 0.0 112.651 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 215' ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -52.55 -36.13 55.06 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.716 1.207 . . . . 0.0 111.843 172.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 216' ' ' ALA . . . . . . . . . . . . . . . -84.94 2.34 43.29 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 126.302 1.841 . . . . 0.0 113.627 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -105.08 -34.7 7.87 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 125.119 1.368 . . . . 0.0 109.792 169.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -60.81 -59.42 5.42 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 167.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.145 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 176.866 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 201' ' ' ARG . . . . . . . . . . . . . 51.8 mtm180 . . . . . 0 N--CA 1.47 0.557 0 N-CA-C 106.253 -1.758 . . . . 0.0 106.253 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 202' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -174.08 104.31 0.11 Allowed 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 -167.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 203' ' ' GLY . . . . . . . . . . . . . . . -125.03 47.72 1.0 Allowed Glycine 0 CA--C 1.528 0.887 0 C-N-CA 124.376 0.989 . . . . 0.0 112.179 -176.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 5.6 t 34.64 53.41 0.61 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 129.054 2.942 . . . . 0.0 114.237 168.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 205' ' ' ARG . . . . . . . . . . . . . 18.1 mtm105 -64.02 150.12 92.44 Favored Pre-proline 0 C--O 1.235 0.339 0 C-N-CA 124.879 1.272 . . . . 0.0 108.807 177.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 206' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -66.33 154.85 72.64 Favored 'Trans proline' 0 N--CA 1.452 -0.936 0 CA-C-N 120.269 1.132 . . . . 0.0 110.596 168.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 207' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.56 147.66 51.63 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 125.612 1.565 . . . . 0.0 109.608 174.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . -45.61 -54.08 7.94 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 125.417 1.484 . . . . 0.0 114.577 -166.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 209' ' ' ALA . . . . . . . . . . . . . . . -67.32 -33.1 74.55 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.848 -0.795 . . . . 0.0 112.45 -173.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -78.33 -32.28 49.11 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.322 1.449 . . . . 0.0 110.39 171.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -26.03 67.07 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 120.312 -1.493 . . . . 0.0 110.697 176.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 212' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.37 -28.18 41.39 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.902 1.228 . . . . 0.0 111.973 164.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 213' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -84.61 -46.56 11.41 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 121.333 -0.854 . . . . 0.0 110.386 173.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.82 -37.71 69.04 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.206 0.912 . . . . 0.0 111.132 177.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 215' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -50.04 -63.48 1.1 Allowed 'General case' 0 CA--C 1.505 -0.75 0 C-N-CA 126.513 1.925 . . . . 0.0 106.994 175.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.89 -7.72 9.0 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 115.224 1.564 . . . . 0.0 115.224 -177.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -74.01 -38.32 64.12 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 119.37 0.986 . . . . 0.0 110.601 171.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -161.68 81.78 0.59 Allowed 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 126.604 1.961 . . . . 0.0 107.223 174.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.967 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 169.981 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.683 1 O4'-C1'-N19 114.488 6.288 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.848 3 C4'-C3'-C2' 97.744 -4.956 . 0.308 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.93 1 O4'-C1'-N19 112.564 4.364 . 0.244 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.942 0 O4'-C1'-N19 112.132 3.932 . 0.699 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.562 0 C5'-C4'-O4' 114.334 3.667 . 0.119 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.556 1 O4'-C1'-N19 112.968 4.768 . 0.58 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.222 1 C3'-C2'-C1' 105.297 4.219 . 0.093 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.177 0 O4'-C1'-N19 111.183 2.983 . 0.034 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.096 2 O4'-C1'-N19 114.605 6.405 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.284 0 O4'-C1'-N19 110.729 2.529 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.561 0 O4'-C1'-N19 111.731 3.531 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.5 0 C3'-C2'-C1' 104.424 3.249 . 0.112 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.441 1 O4'-C1'-N19 113.714 5.514 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.994 1 C3'-C2'-C1' 105.355 4.283 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.168 1 O4'-C1'-N19 112.753 4.553 . 0.126 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.175 1 O4'-C1'-N19 113.053 4.853 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.185 0 O4'-C1'-N19 110.858 2.658 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.371 0 C3'-C2'-C1' 104.868 3.742 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.291 1 O4'-C1'-N19 113.904 5.704 . 0.231 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ' C' . . . . . 0.416 " H5'" ' HA ' ' B' ' 201' ' ' ARG . . . . . . . . 0 O4'--C4' 1.428 -2.106 1 C5'-C4'-C3' 108.688 -4.541 . 0.21 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.239 1 C4'-C3'-C2' 98.581 -4.119 . 0.516 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.337 0 P-O3'-C3' 122.765 2.554 . 0.675 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.704 2 C3'-C2'-C1' 105.628 4.586 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.771 1 O4'-C1'-N19 112.737 4.537 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.027 1 O4'-C1'-N19 114.257 6.057 . 0.59 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.136 0 C5'-C4'-O4' 114.082 3.487 . 0.023 5p . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.573 -2.858 1 O4'-C1'-N19 112.494 4.294 . 0.252 6p . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.58 0 O4'-C1'-N19 110.598 2.398 . 0.327 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.614 1 O4'-C1'-N19 112.533 4.333 . 0.334 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.359 0 O4'-C1'-N19 111.954 3.754 . 0.553 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.233 0 C5'-C4'-O4' 114.583 3.845 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.828 1 C4'-C3'-C2' 97.458 -5.242 . 0.407 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.385 1 O4'-C1'-N19 112.714 4.514 . 0.426 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.817 1 O4'-C1'-N19 113.183 4.983 . 0.519 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 201' ' ' ARG . . . . . 0.416 ' HA ' " H5'" ' A' ' 20' ' ' ' C' . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.427 0 CA-C-O 119.269 -0.396 . . . . 0.0 109.97 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 202' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 46.15 76.71 0.09 Allowed 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 130.561 3.544 . . . . 0.0 113.002 164.11 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 203' ' ' GLY . . . . . . . . . . . . . . . -159.25 83.57 0.13 Allowed Glycine 0 C--N 1.335 0.509 0 O-C-N 121.613 -0.68 . . . . 0.0 111.879 -178.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 2.2 m -122.75 -121.49 0.28 Allowed 'General case' 0 N--CA 1.429 -1.506 0 C-N-CA 126.504 1.922 . . . . 0.0 106.234 168.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 205' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -139.35 77.34 29.8 Favored Pre-proline 0 N--CA 1.469 0.514 0 CA-C-N 120.614 1.552 . . . . 0.0 108.464 174.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 206' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -77.73 33.55 0.45 Allowed 'Trans proline' 0 CA--C 1.545 1.061 0 C-N-CA 122.463 2.109 . . . . 0.0 111.818 174.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 207' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.07 126.72 28.95 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 126.093 1.757 . . . . 0.0 108.082 -167.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . -42.78 -64.92 1.51 Allowed Glycine 0 CA--C 1.526 0.776 0 CA-C-N 120.391 1.45 . . . . 0.0 113.371 -160.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 209' ' ' ALA . . . . . . . . . . . . . . . -63.66 -24.36 67.75 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 -177.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -83.35 -40.0 20.01 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 119.188 0.904 . . . . 0.0 110.113 178.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -36.89 79.59 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-O 117.307 -1.33 . . . . 0.0 108.403 176.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 212' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -43.11 -46.24 5.72 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 125.482 1.513 . . . . 0.0 112.371 174.017 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 213' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -65.26 -31.88 73.25 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 122.858 0.463 . . . . 0.0 112.059 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 10.6 ttm-85 -79.94 -38.1 33.12 Favored 'General case' 0 C--O 1.225 -0.19 0 C-N-CA 124.04 0.936 . . . . 0.0 111.601 173.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 215' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -57.06 -48.19 79.15 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 119.569 1.077 . . . . 0.0 108.188 175.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 216' ' ' ALA . . . . . . . . . . . . . . . -67.15 14.23 0.05 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.642 1.977 . . . . 0.0 114.741 170.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -108.62 -21.3 12.76 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 120.164 1.347 . . . . 0.0 111.882 164.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -64.98 -49.18 71.29 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 119.223 0.919 . . . . 0.0 109.951 170.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.166 0 C-N-CA 125.313 1.445 . . . . 0.0 110.21 177.958 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.774 0 O4'-C1'-N19 111.83 3.63 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.803 0 C5'-C4'-O4' 114.392 3.709 . 0.838 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.57 -3.122 0 O4'-C1'-N19 112.158 3.958 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.211 1 O4'-C1'-N19 112.614 4.414 . 0.739 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.782 0 O4'-C1'-N19 111.802 3.602 . 0.288 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.259 0 O4'-C1'-N19 112.086 3.886 . 0.855 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.921 0 C3'-C2'-O2' 106.864 -2.219 . 0.315 4a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.083 1 O4'-C1'-N19 112.662 4.462 . 0.514 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.315 2 O4'-C1'-N19 113.815 5.615 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.272 1 O4'-C1'-N19 114.531 6.331 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.758 2 C3'-C2'-C1' 106.02 5.022 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.568 2 O4'-C1'-N19 112.488 4.288 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.62 1 O4'-C1'-N19 112.424 4.224 . 0.021 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.1 2 C3'-C2'-C1' 105.253 4.17 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.213 1 O4'-C1'-N19 113.58 5.38 . 0.079 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.226 2 O4'-C1'-N19 113.071 4.871 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.189 0 C4'-C3'-C2' 100.37 -2.33 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.332 2 C3'-C2'-C1' 106.145 5.161 OUTLIER-DELTA 0.01 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.455 1 O4'-C1'-N19 114.892 6.692 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.05 1 O4'-C1'-N19 112.879 4.679 . 0.604 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ' U' . . . . . 0.423 " H2'" ' C8 ' ' A' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.7 0 C3'-C2'-C1' 105.024 3.915 . 0.24 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ' G' . . . . . 0.489 " H2'" ' C6 ' ' A' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.795 0 C4'-C3'-C2' 99.192 -3.508 . 0.699 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.247 1 O4'-C1'-N19 113.715 5.515 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ' C' . . . . . 0.489 ' C6 ' " H2'" ' A' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.285 1 O4'-C1'-N19 112.7 4.5 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.239 0 O4'-C1'-N19 111.394 3.194 . 0.584 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.12 0 O4'-C1'-N19 111.44 3.24 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.284 1 O4'-C1'-N19 112.228 4.028 . 0.262 6p . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.689 0 O4'-C1'-N19 110.46 2.26 . 0.147 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.744 1 O4'-C1'-N19 112.391 4.191 . 0.801 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.612 0 O4'-C1'-N19 111.469 3.269 . 0.576 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.191 2 O4'-C1'-N19 112.798 4.598 . 0.761 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.929 0 O4'-C1'-N19 111.543 3.343 . 0.326 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.624 2 O4'-C1'-N19 113.035 4.835 . 0.606 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.702 1 O4'-C1'-N19 112.404 4.204 . 0.256 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 201' ' ' ARG . . . . . . . . . . . . . 87.9 mtt-85 . . . . . 0 N--CA 1.467 0.418 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 202' ' ' ARG . . . . . . . . . . . . . 16.0 ttp85 56.54 30.63 17.57 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.874 1.27 . . . . 0.0 112.45 170.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 203' ' ' GLY . . . . . . . . . . . . . . . -66.69 8.36 1.18 Allowed Glycine 0 CA--C 1.536 1.346 0 C-N-CA 124.557 1.075 . . . . 0.0 114.636 178.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 8.3 t -135.59 75.41 1.56 Allowed 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 119.588 1.694 . . . . 0.0 107.286 177.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 205' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.34 126.78 93.04 Favored Pre-proline 0 C--O 1.237 0.425 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 167.109 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 206' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -73.23 164.35 35.56 Favored 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 122.076 1.85 . . . . 0.0 109.883 173.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 207' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.25 131.19 55.3 Favored 'General case' 0 N--CA 1.431 -1.412 0 N-CA-C 105.366 -2.086 . . . . 0.0 105.366 163.329 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . -53.95 -63.16 5.39 Favored Glycine 0 CA--C 1.523 0.535 0 CA-C-N 118.982 0.81 . . . . 0.0 112.942 -159.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 209' ' ' ALA . . . . . . . . . . . . . . . -74.36 -12.77 60.62 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -76.48 -24.76 53.82 Favored 'General case' 0 C--O 1.237 0.444 0 O-C-N 120.627 -1.296 . . . . 0.0 111.471 174.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -61.01 -26.55 67.69 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.73 -0.606 . . . . 0.0 111.152 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 212' ' ' ARG . . . . . . . . . . . . . 21.4 mtt180 -58.63 -31.85 68.51 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 125.092 1.357 . . . . 0.0 112.483 171.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 213' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -77.79 -28.39 50.43 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 119.461 1.028 . . . . 0.0 110.835 174.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.6 -31.6 68.21 Favored 'General case' 0 N--CA 1.463 0.199 0 O-C-N 121.48 -0.762 . . . . 0.0 110.562 173.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 215' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -58.56 -48.5 80.69 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 118.693 0.679 . . . . 0.0 109.881 177.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 216' ' ' ALA . . . . . . . . . . . . . . . -66.53 -29.5 69.6 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -75.09 -31.61 61.25 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 126.388 1.875 . . . . 0.0 111.722 178.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -73.38 -40.5 64.28 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 124.537 1.135 . . . . 0.0 110.628 169.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.257 1.456 0 C-N-CA 127.066 2.146 . . . . 0.0 112.825 -177.222 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.599 0 O4'-C1'-N19 111.935 3.735 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.87 2 O4'-C1'-N19 113.683 5.483 . 0.187 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.457 1 O4'-C1'-N19 113.893 5.693 . 0.05 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.14 1 O4'-C1'-N19 114.686 6.486 . 0.581 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.604 1 O4'-C1'-N19 114.332 6.132 . 0.524 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.164 0 O4'-C1'-N19 110.888 2.688 . 0.678 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.104 1 O4'-C1'-N19 112.422 4.222 . 0.453 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.145 1 O4'-C1'-N19 114.629 6.429 . 0.24 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.332 3 O4'-C1'-N19 116.802 8.602 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.043 1 O4'-C1'-N19 113.259 5.059 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.057 1 O4'-C1'-N19 114.821 6.621 . 0.102 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.499 1 O4'-C1'-N19 113.558 5.358 . 0.0 OUTLIER '7D dist 2g wannabe' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.606 2 O4'-C1'-N19 114.033 5.833 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.983 2 C3'-C2'-C1' 105.367 4.297 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.178 1 O4'-C1'-N19 113.989 5.789 . 0.08 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 3.001 2 O4'-C1'-N19 113.078 4.878 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.261 0 O4'-C1'-N19 110.494 2.294 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.548 2.218 1 C3'-C2'-C1' 105.472 4.413 . 0.284 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.325 1 O4'-C1'-N19 113.227 5.027 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.97 0 O4'-C1'-N19 111.879 3.679 . 0.134 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.554 0 O4'-C1'-N19 111.878 3.678 . 0.288 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ' G' . . . . . 0.43 " H2'" ' C6 ' ' A' ' 24' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.406 -2.134 1 O4'-C1'-N19 113.598 5.398 . 0.412 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.674 2 O4'-C1'-N19 114.055 5.855 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ' C' . . . . . 0.43 ' C6 ' " H2'" ' A' ' 22' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.541 2.364 1 O4'-C1'-N19 113.078 4.878 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ' G' . . . . . 0.47 " H2'" ' C8 ' ' A' ' 26' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.834 0 C5'-C4'-C3' 110.977 -3.015 . 0.604 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ' G' . . . . . 0.47 ' C8 ' " H2'" ' A' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.779 0 C5'-C4'-O4' 113.946 3.39 . 0.453 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.73 0 O4'-C1'-N19 111.253 3.053 . 0.541 6p . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.633 0 C5'-C4'-C3' 110.797 -3.136 . 0.201 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.576 -2.587 0 O4'-C1'-N19 111.97 3.77 . 0.719 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.823 0 O4'-C1'-N19 111.455 3.255 . 0.573 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.457 1 O4'-C1'-N19 113.55 5.35 . 0.558 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.898 1 O4'-C1'-N19 113.289 5.089 . 0.435 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.287 1 O4'-C1'-N19 112.409 4.209 . 0.467 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.913 0 C3'-C2'-O2' 105.443 -2.709 . 0.723 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 201' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.553 1.078 0 CA-C-O 117.86 -1.067 . . . . 0.0 110.652 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 202' ' ' ARG . . . . . . . . . . . . . 21.6 ttt-85 -157.82 79.45 0.85 Allowed 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 121.361 1.892 . . . . 0.0 112.34 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 203' ' ' GLY . . . . . . . . . . . . . . . -75.83 36.79 1.24 Allowed Glycine 0 CA--C 1.536 1.354 0 O-C-N 120.365 -1.459 . . . . 0.0 115.292 -177.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 25.3 t -72.5 36.95 0.07 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 129.051 2.941 . . . . 0.0 113.571 -171.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 205' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -67.79 123.87 88.01 Favored Pre-proline 0 C--O 1.234 0.244 0 O-C-N 120.912 -1.118 . . . . 0.0 111.384 -178.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 206' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -68.96 165.39 30.17 Favored 'Trans proline' 0 N--CA 1.452 -0.951 0 CA-C-N 119.512 0.861 . . . . 0.0 110.103 156.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 207' ' ' SER . . . . . . . . . . . . . 85.0 p -82.81 -179.18 7.36 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 126.219 1.807 . . . . 0.0 114.05 -164.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . -47.82 -58.47 6.85 Favored Glycine 0 CA--C 1.529 0.945 0 CA-C-O 119.253 -0.748 . . . . 0.0 111.392 177.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 209' ' ' ALA . . . . . . . . . . . . . . . -82.04 -27.67 32.88 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.067 0.933 . . . . 0.0 112.25 -178.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -75.18 -41.75 57.26 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 120.696 1.589 . . . . 0.0 110.158 -179.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -62.61 -30.3 71.24 Favored 'General case' 0 N--CA 1.456 -0.142 0 O-C-N 120.586 -1.321 . . . . 0.0 110.122 172.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 212' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -55.09 -52.11 64.26 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 120.914 1.688 . . . . 0.0 111.106 167.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 213' ' ' ARG . . . . . . . . . . . . . 35.6 ttm105 -58.09 -45.51 87.05 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-O 118.492 -0.766 . . . . 0.0 109.522 175.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 23.6 ttp180 -56.19 -48.15 76.93 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 119.306 0.957 . . . . 0.0 111.627 177.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 215' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -57.08 -48.38 78.74 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 125.546 1.538 . . . . 0.0 108.493 -177.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 216' ' ' ALA . . . . . . . . . . . . . . . -79.79 -1.02 36.95 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 114.611 1.338 . . . . 0.0 114.611 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -100.56 -7.42 24.09 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.436 1.094 . . . . 0.0 111.501 173.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -94.8 -17.43 22.14 Favored 'General case' 0 N--CA 1.439 -0.982 0 C-N-CA 125.973 1.709 . . . . 0.0 113.135 177.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.3 0 CA-C-O 116.722 -1.609 . . . . 0.0 112.688 -176.381 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.631 2 O4'-C1'-N19 113.369 5.169 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.851 1 O4'-C1'-N19 114.329 6.129 . 0.11 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ' U' . . . . . 0.498 " H2'" ' C6 ' ' A' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.741 0 O4'-C1'-N19 111.438 3.238 . 0.285 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ' C' . . . . . 0.498 ' C6 ' " H2'" ' A' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.416 -3.05 0 O4'-C1'-N19 111.569 3.369 . 0.116 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.704 0 O4'-C1'-N19 111.721 3.521 . 0.546 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.61 1 O4'-C1'-N19 113.311 5.111 . 0.538 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ' G' . . . . . 0.407 " H2'" ' C8 ' ' A' ' 8' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.927 0 C5'-C4'-O4' 112.333 2.238 . 0.155 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ' G' . . . . . 0.407 ' C8 ' " H2'" ' A' ' 7' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.248 1 O4'-C1'-N19 112.419 4.219 . 0.497 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.057 3 O4'-C1'-N19 115.179 6.979 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.463 1 O4'-C1'-N19 113.465 5.265 . 0.128 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.684 2 O4'-C1'-N19 113.679 5.479 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.343 2 O4'-C1'-N19 112.913 4.713 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.395 1 O4'-C1'-N19 114.632 6.432 . 0.027 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.155 1 C3'-C2'-C1' 105.616 4.573 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.525 1 O4'-C1'-N19 114.35 6.15 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.237 2 O4'-C1'-N19 113.899 5.699 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.411 0 O4'-C1'-N19 111.031 2.831 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.279 1 O4'-C1'-N19 113.073 4.873 . 0.098 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.059 0 N19-C1'-C2' 107.402 -3.749 . 0.15 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.284 2 C5'-C4'-C3' 105.101 -6.933 . 0.602 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.67 1 O4'-C1'-N19 113.737 5.537 . 0.175 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.262 0 P-O3'-C3' 123.03 2.775 . 0.369 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.05 1 C5'-C4'-C3' 108.814 -4.458 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.836 0 O4'-C1'-N19 112.05 3.85 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 C5'-C4'-C3' 110.971 -3.02 . 0.732 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.744 0 C5'-C4'-O4' 112.813 2.581 . 0.012 5p . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.941 0 O4'-C1'-N19 111.755 3.555 . 0.571 6p . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.629 0 C4'-C3'-C2' 99.612 -3.088 . 0.413 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.604 1 O4'-C1'-N19 112.93 4.73 . 0.4 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.791 0 C4'-C3'-C2' 99.241 -3.459 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.82 2 O4'-C1'-N19 112.9 4.7 . 0.539 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.34 0 O4'-C1'-N19 111.757 3.557 . 0.313 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.467 1 O4'-C1'-N19 113.721 5.521 . 0.648 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.808 1 O4'-C1'-N19 112.363 4.163 . 0.657 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 201' ' ' ARG . . . . . . . . . . . . . 72.4 mtt85 . . . . . 0 N--CA 1.47 0.57 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 202' ' ' ARG . . . . . . . . . . . . . 20.4 ttm180 30.83 88.26 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 129.744 3.218 . . . . 0.0 112.888 -175.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 203' ' ' GLY . . . . . . . . . . . . . . . -81.02 -124.61 0.63 Allowed Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 107.117 -2.393 . . . . 0.0 107.117 160.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 23.2 t 24.85 60.65 0.05 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 128.852 2.861 . . . . 0.0 112.708 -177.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 205' ' ' ARG . . . . . . . . . . . . . 8.6 ttp-105 -50.23 110.4 1.66 Allowed Pre-proline 0 CA--C 1.54 0.566 0 C-N-CA 126.289 1.835 . . . . 0.0 109.107 -176.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 206' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -82.76 82.25 2.24 Favored 'Trans proline' 0 N--CA 1.454 -0.821 0 C-N-CA 122.686 2.257 . . . . 0.0 110.86 -165.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 207' ' ' SER . . . . . . . . . . . . . 19.2 m -65.88 139.05 58.25 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 124.059 0.944 . . . . 0.0 109.29 -177.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . -47.69 -60.04 5.64 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 124.757 1.17 . . . . 0.0 112.776 -164.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 209' ' ' ALA . . . . . . . . . . . . . . . -69.38 -13.1 62.19 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 -178.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -86.05 -53.9 4.8 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 119.987 1.267 . . . . 0.0 108.573 172.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -57.22 -24.96 58.13 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 126.085 1.754 . . . . 0.0 111.374 178.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 212' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -44.27 -35.48 2.31 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 126.393 1.877 . . . . 0.0 112.425 168.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 213' ' ' ARG . . . . . . . . . . . . . 9.8 ptp85 -69.99 -22.55 63.12 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-O 117.239 -1.362 . . . . 0.0 113.051 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -57.73 -36.27 71.81 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 120.893 1.679 . . . . 0.0 110.257 -178.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 215' ' ' ARG . . . . . . . . . . . . . 54.7 mtm180 -52.64 -58.55 6.44 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 124.619 1.168 . . . . 0.0 108.218 174.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 216' ' ' ALA . . . . . . . . . . . . . . . -74.42 16.03 0.29 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.42 1.888 . . . . 0.0 113.414 177.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -121.88 -25.32 5.02 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 120.037 1.289 . . . . 0.0 111.386 178.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -75.35 -3.5 33.93 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.31 1.444 . . . . 0.0 112.229 155.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.967 0 N-CA-C 107.297 -1.371 . . . . 0.0 107.297 166.367 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.684 1 O4'-C1'-N19 112.722 4.522 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.162 1 O4'-C1'-N19 112.728 4.528 . 0.089 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.2 1 O4'-C1'-N19 114.307 6.107 . 0.619 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.474 1 O4'-C1'-N19 113.986 5.786 . 0.395 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.611 1 O4'-C1'-N19 113.599 5.399 . 0.645 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.582 -2.078 2 O4'-C1'-N19 113.86 5.66 . 0.723 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.111 1 O4'-C1'-N19 112.549 4.349 . 0.149 4g . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.984 2 O4'-C1'-N19 115.054 6.854 . 0.215 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ' C' . . . . . 0.442 " H2'" ' C8 ' ' A' ' 10' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -2.012 4 C4'-C3'-C2' 95.994 -6.706 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ' G' . . . . . 0.442 ' C8 ' " H2'" ' A' ' 9' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.545 2.691 1 O4'-C1'-N19 114.251 6.051 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ' C' . . . . . 0.432 ' C6 ' " H2'" ' A' ' 10' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.025 1 C3'-C2'-C1' 107.047 6.164 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.71 1 O4'-C1'-N19 112.289 4.089 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.491 2 O4'-C1'-N19 114.277 6.077 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.715 1 C3'-C2'-C1' 105.376 4.307 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.205 1 O4'-C1'-N19 112.415 4.215 . 0.294 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.099 2 O4'-C1'-N19 113.33 5.13 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.287 0 C3'-C2'-C1' 104.129 2.922 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.451 1 C4'-C3'-C2' 98.694 -4.006 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.373 0 O4'-C1'-N19 111.814 3.614 . 0.272 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.005 2 O4'-C1'-N19 113.22 5.02 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ' U' . . . . . 0.449 " H2'" ' C8 ' ' A' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.211 1 C3'-C2'-C1' 105.356 4.284 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ' G' . . . . . 0.449 ' C8 ' " H2'" ' A' ' 21' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.424 -2.386 0 O4'-C1'-N19 111.658 3.458 . 0.462 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.535 1 O4'-C1'-N19 113.129 4.929 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ' C' . . . . . 0.428 ' C6 ' " H2'" ' A' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.428 -2.116 1 O4'-C1'-N19 113.649 5.449 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ' G' . . . . . 0.415 " H3'" " H2'" ' A' ' 26' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.347 1 O4'-C1'-N19 112.713 4.513 . 0.594 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ' G' . . . . . 0.415 " H2'" " H3'" ' A' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.928 1 C4'-C3'-C2' 98.404 -4.296 OUTLIER-DELTA 0.01 5p . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.58 0 O4'-C1'-N19 112.124 3.924 . 0.01 6p . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.913 0 C5'-C4'-C3' 111.904 -2.398 . 0.169 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.184 1 O4'-C1'-N19 113.197 4.997 . 0.812 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.529 0 C4'-C3'-C2' 99.006 -3.694 . 0.518 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.858 0 C5'-C4'-O4' 113.349 2.963 . 0.412 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.183 0 O4'-C1'-N19 111.408 3.208 . 0.681 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.417 1 C3'-C2'-C1' 105.391 4.324 . 0.6 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.945 0 O4'-C1'-N19 111.413 3.213 . 0.32 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 201' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 . . . . . 0 N--CA 1.473 0.718 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 202' ' ' ARG . . . . . . . . . . . . . 35.8 ptt85 24.72 63.88 0.05 Allowed 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 130.591 3.556 . . . . 0.0 116.172 174.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 203' ' ' GLY . . . . . . . . . . . . . . . -68.69 -9.4 58.88 Favored Glycine 0 CA--C 1.531 1.06 0 CA-C-N 115.677 -0.692 . . . . 0.0 114.518 176.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 28.9 t -77.57 61.84 2.39 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.455 1.502 . . . . 0.0 108.909 171.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 205' ' ' ARG . . . . . . . . . . . . . 36.2 mtp85 -44.06 112.95 1.46 Allowed Pre-proline 0 CA--C 1.535 0.402 0 C-N-CA 126.126 1.77 . . . . 0.0 110.123 171.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 206' ' ' PRO . . . . . 0.519 ' HA ' ' HB2' ' B' ' 211' ' ' ARG . 61.1 Cg_endo -80.02 -8.99 14.29 Favored 'Trans proline' 0 CA--C 1.542 0.916 0 C-N-CA 124.001 3.134 . . . . 0.0 112.945 -172.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 207' ' ' SER . . . . . . . . . . . . . 4.6 p -96.57 108.49 21.1 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 120.747 -1.221 . . . . 0.0 111.756 -121.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . 100.68 38.86 3.32 Favored Glycine 0 CA--C 1.527 0.795 0 C-N-CA 124.97 1.272 . . . . 0.0 111.294 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 209' ' ' ALA . . . . . . . . . . . . . . . 59.04 12.23 2.32 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.75 1.62 . . . . 0.0 112.206 -166.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -68.6 -36.18 78.34 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 120.881 -1.137 . . . . 0.0 112.016 -165.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 211' ' ' ARG . . . . . 0.519 ' HB2' ' HA ' ' B' ' 206' ' ' PRO . 0.2 OUTLIER -78.88 -31.97 45.67 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.176 -0.952 . . . . 0.0 110.305 -178.573 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 212' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -40.72 77.86 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.396 1.078 . . . . 0.0 111.421 162.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 213' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -67.14 -22.4 65.79 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 117.822 -1.085 . . . . 0.0 111.809 172.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -57.78 -20.26 34.14 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 121.177 1.808 . . . . 0.0 112.576 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 215' ' ' ARG . . . . . . . . . . . . . 29.4 ttm-85 -50.48 -46.67 57.09 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 121.044 1.747 . . . . 0.0 110.925 168.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 216' ' ' ALA . . . . . . . . . . . . . . . -66.35 -0.49 2.67 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.147 1.379 . . . . 0.0 113.744 -176.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -73.21 -36.5 66.51 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 119.023 0.829 . . . . 0.0 111.567 167.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -147.47 50.14 1.08 Allowed 'General case' 0 N--CA 1.443 -0.825 0 C-N-CA 125.117 1.367 . . . . 0.0 110.29 -173.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 117.709 -1.139 . . . . 0.0 109.373 169.572 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.609 0 O4'-C1'-N19 112.128 3.928 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.905 0 O4'-C1'-N19 111.379 3.179 . 0.846 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.233 0 C3'-C2'-C1' 104.439 3.266 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.182 1 O4'-C1'-N19 112.842 4.642 . 0.401 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.61 1 O4'-C1'-N19 112.229 4.029 . 0.264 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.585 -1.841 2 O4'-C1'-N19 114.924 6.724 . 0.581 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.531 1 O4'-C1'-N19 112.274 4.074 . 0.198 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.233 1 O4'-C1'-N19 113.333 5.133 . 0.29 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.239 2 O4'-C1'-N19 113.016 4.816 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.061 1 O4'-C1'-N19 112.98 4.78 . 0.19 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.448 1 O4'-C1'-N19 113.747 5.547 . 0.069 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.91 0 C3'-C2'-C1' 104.522 3.358 . 0.203 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.494 0 C3'-C2'-C1' 105.004 3.894 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.084 1 C3'-C2'-C1' 106.349 5.388 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.853 2 C3'-C2'-C1' 105.993 4.993 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.139 3 O4'-C1'-N19 113.064 4.864 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.434 0 C3'-C2'-C1' 104.297 3.108 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.645 0 C3'-C2'-C1' 104.858 3.731 . 0.234 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.406 1 O4'-C1'-N19 113.447 5.247 . 0.12 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.1 1 O4'-C1'-N19 114.22 6.02 . 0.285 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.939 2 C3'-C2'-C1' 106.228 5.253 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.254 1 O4'-C1'-N19 112.316 4.116 . 0.113 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.709 0 C3'-C2'-C1' 104.988 3.876 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.791 0 O4'-C1'-N19 111.798 3.598 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.141 0 O4'-C1'-N19 111.847 3.647 . 0.408 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ' G' . . . . . 0.491 ' C8 ' " H1'" ' A' ' 28' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.847 1 O4'-C1'-N19 112.41 4.21 . 0.0 OUTLIER '7D dist 5p wannabe' 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.919 0 O3'-P-O5' 110.474 3.408 . 0.01 6p . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ' A' . . . . . 0.491 " H1'" ' C8 ' ' A' ' 26' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.218 0 O4'-C1'-N19 112.107 3.907 . 0.155 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.817 1 O4'-C1'-N19 112.434 4.234 . 0.28 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.83 0 C5'-C4'-O4' 114.417 3.727 . 0.541 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.845 0 C4'-C3'-C2' 98.766 -3.934 . 0.627 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.899 0 O4'-C1'-N19 112.093 3.893 . 0.423 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.417 1 O4'-C1'-N19 114.46 6.26 . 0.612 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.885 1 O4'-C1'-N19 112.481 4.281 . 0.561 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 201' ' ' ARG . . . . . . . . . . . . . 20.1 ttp85 . . . . . 0 CA--C 1.553 1.084 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 202' ' ' ARG . . . . . . . . . . . . . 63.8 ttp85 -156.01 74.88 0.87 Allowed 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 120.994 1.724 . . . . 0.0 109.695 172.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 203' ' ' GLY . . . . . . . . . . . . . . . -57.67 -57.04 21.89 Favored Glycine 0 CA--C 1.53 0.992 0 CA-C-N 117.793 0.269 . . . . 0.0 112.712 -177.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 4.5 t -121.13 -95.93 0.48 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 117.713 -1.137 . . . . 0.0 110.866 -175.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 205' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? 51.35 70.06 2.18 Favored Pre-proline 0 N--CA 1.474 0.769 0 CA-C-N 120.136 1.334 . . . . 0.0 109.377 -151.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 206' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -71.84 -179.36 3.75 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 123.009 2.472 . . . . 0.0 111.661 -174.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 207' ' ' SER . . . . . 0.4 ' HB3' ' HB3' ' B' ' 210' ' ' GLU . 46.1 t -55.35 170.3 0.23 Allowed 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 126.41 1.884 . . . . 0.0 112.228 173.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . -68.09 -78.69 0.28 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 108.84 -1.704 . . . . 0.0 108.84 157.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 209' ' ' ALA . . . . . . . . . . . . . . . -57.83 -35.02 70.31 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -173.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 210' ' ' GLU . . . . . 0.4 ' HB3' ' HB3' ' B' ' 207' ' ' SER . 3.9 tt0 -78.28 -20.19 52.07 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 120.192 1.36 . . . . 0.0 112.884 178.029 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 67.1 ttp85 -69.15 -38.69 78.92 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 119.869 -1.769 . . . . 0.0 108.953 172.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 212' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.13 -20.1 16.13 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 166.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 213' ' ' ARG . . . . . . . . . . . . . 47.8 ttt85 -76.4 -53.28 8.38 Favored 'General case' 0 C--N 1.339 0.149 0 CA-C-N 120.217 1.371 . . . . 0.0 110.079 167.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 10.6 ttp85 -57.48 -24.75 57.62 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.606 1.094 . . . . 0.0 112.651 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 215' ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -52.55 -36.13 55.06 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.716 1.207 . . . . 0.0 111.843 172.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 216' ' ' ALA . . . . . . . . . . . . . . . -84.94 2.34 43.29 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 126.302 1.841 . . . . 0.0 113.627 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -105.08 -34.7 7.87 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 125.119 1.368 . . . . 0.0 109.792 169.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -60.81 -59.42 5.42 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 167.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.145 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 176.866 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.854 0 C3'-C2'-O2' 108.395 -1.691 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.256 3 O4'-C1'-N19 114.214 6.014 . 0.493 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.563 1 C3'-C2'-C1' 105.728 4.698 . 0.014 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.099 1 O4'-C1'-N19 113.615 5.415 . 0.567 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.808 1 O4'-C1'-N19 112.523 4.323 . 0.181 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.578 -2.417 1 O4'-C1'-N19 112.8 4.6 . 0.648 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.305 0 C4'-C3'-C2' 100.287 -2.413 . 0.157 4a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.347 1 O4'-C1'-N19 113.727 5.527 . 0.506 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.158 1 O4'-C1'-N19 113.695 5.495 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.547 0 O4'-C1'-N19 111.323 3.123 . 0.408 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.686 0 O4'-C1'-N19 112.129 3.929 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.475 0 C4'-C3'-C2' 99.828 -2.872 . 0.835 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.176 1 O4'-C1'-N19 112.526 4.326 . 0.447 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.648 2 C3'-C2'-C1' 105.745 4.717 . 0.038 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.474 2 C3'-C2'-C1' 106.018 5.02 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.82 0 P-O3'-C3' 124.193 3.744 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.199 1 O4'-C1'-N19 112.428 4.228 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.62 1 O4'-C1'-N19 113.123 4.923 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.703 2 C4'-C3'-C2' 97.807 -4.893 . 0.413 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.407 -2.059 1 O4'-C1'-N19 112.702 4.502 OUTLIER-DELTA 0.07 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ' U' . . . . . 0.414 " H2'" ' C8 ' ' A' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.263 0 O4'-C1'-N19 111.092 2.892 . 0.05 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ' G' . . . . . 0.414 ' C8 ' " H2'" ' A' ' 21' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.852 0 C3'-C2'-O2' 106.371 -2.389 . 0.638 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.637 0 C5'-C4'-C3' 109.618 -3.921 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ' C' . . . . . 0.435 " H2'" ' C8 ' ' A' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.616 1 O4'-C1'-N19 113.364 5.164 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ' G' . . . . . 0.435 ' C8 ' " H2'" ' A' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.911 0 C5'-C4'-C3' 111.699 -2.534 . 0.725 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.162 0 C3'-C2'-C1' 98.871 -2.921 . 0.0 OUTLIER '7D dist 5p wannabe' 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ' U' . . . . . 0.409 " H5'" ' NE ' ' B' ' 215' ' ' ARG . . . . . . . . 0 O4'--C4' 1.418 -2.932 0 O4'-C1'-N19 111.798 3.598 . 0.0 OUTLIER '7D dist 6p' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.177 0 C3'-C2'-C1' 105.067 3.963 . 0.058 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.313 0 O4'-C1'-N19 112.099 3.899 . 0.254 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.114 0 O4'-C1'-N19 111.918 3.718 . 0.241 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.744 0 O4'-C1'-N19 111.647 3.447 . 0.231 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.466 0 O4'-C1'-N19 111.533 3.333 . 0.402 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.99 0 O4'-C1'-N19 110.497 2.297 . 0.628 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.26 0 C3'-C2'-C1' 104.337 3.152 . 0.224 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 201' ' ' ARG . . . . . . . . . . . . . 51.8 mtm180 . . . . . 0 N--CA 1.47 0.557 0 N-CA-C 106.253 -1.758 . . . . 0.0 106.253 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 202' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -174.08 104.31 0.11 Allowed 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 -167.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 203' ' ' GLY . . . . . . . . . . . . . . . -125.03 47.72 1.0 Allowed Glycine 0 CA--C 1.528 0.887 0 C-N-CA 124.376 0.989 . . . . 0.0 112.179 -176.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 5.6 t 34.64 53.41 0.61 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 129.054 2.942 . . . . 0.0 114.237 168.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 205' ' ' ARG . . . . . . . . . . . . . 18.1 mtm105 -64.02 150.12 92.44 Favored Pre-proline 0 C--O 1.235 0.339 0 C-N-CA 124.879 1.272 . . . . 0.0 108.807 177.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 206' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -66.33 154.85 72.64 Favored 'Trans proline' 0 N--CA 1.452 -0.936 0 CA-C-N 120.269 1.132 . . . . 0.0 110.596 168.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 207' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.56 147.66 51.63 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 125.612 1.565 . . . . 0.0 109.608 174.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 208' ' ' GLY . . . . . . . . . . . . . . . -45.61 -54.08 7.94 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 125.417 1.484 . . . . 0.0 114.577 -166.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 209' ' ' ALA . . . . . . . . . . . . . . . -67.32 -33.1 74.55 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.848 -0.795 . . . . 0.0 112.45 -173.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -78.33 -32.28 49.11 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.322 1.449 . . . . 0.0 110.39 171.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -26.03 67.07 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 120.312 -1.493 . . . . 0.0 110.697 176.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 212' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.37 -28.18 41.39 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.902 1.228 . . . . 0.0 111.973 164.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 213' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -84.61 -46.56 11.41 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 121.333 -0.854 . . . . 0.0 110.386 173.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.82 -37.71 69.04 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.206 0.912 . . . . 0.0 111.132 177.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 215' ' ' ARG . . . . . 0.409 ' NE ' " H5'" ' A' ' 27' ' ' ' U' . 26.5 ttm180 -50.04 -63.48 1.1 Allowed 'General case' 0 CA--C 1.505 -0.75 0 C-N-CA 126.513 1.925 . . . . 0.0 106.994 175.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.89 -7.72 9.0 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 115.224 1.564 . . . . 0.0 115.224 -177.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -74.01 -38.32 64.12 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 119.37 0.986 . . . . 0.0 110.601 171.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -161.68 81.78 0.59 Allowed 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 126.604 1.961 . . . . 0.0 107.223 174.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.967 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 169.981 . . . . . . . . 0 0 . 1 stop_ save_