data_1wz4_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 1wz4 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.2 m . . . . . 0 N--CA 1.446 -0.667 0 CA-C-O 119.301 -0.38 . . . . 0.0 111.489 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 49.0 m -67.98 -26.92 66.16 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 174.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -69.23 -59.22 3.16 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 119.031 -0.509 . . . . 0.0 110.735 170.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -73.72 -16.7 61.18 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 117.11 -1.836 . . . . 0.0 113.211 -162.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -33.1 -50.28 0.28 Allowed 'General case' 0 C--O 1.221 -0.406 0 C-N-CA 129.344 3.058 . . . . 0.0 107.112 169.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.33 36.66 1.32 Allowed 'General case' 0 N--CA 1.436 -1.129 1 C-N-CA 131.758 4.023 . . . . 0.0 114.426 -166.127 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.06 -29.61 69.98 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 114.507 -2.877 . . . . 0.0 109.397 -164.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 35.1 mt -139.46 3.32 2.11 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 127.431 2.292 . . . . 0.0 112.133 161.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 166.5 143.74 0.05 OUTLIER Pre-proline 0 CA--C 1.544 0.747 0 CA-C-O 116.074 -1.917 . . . . 0.0 108.053 -168.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -50.48 -0.88 0.04 OUTLIER 'Trans proline' 0 N--CA 1.489 1.237 1 C-N-CA 128.217 5.945 . . . . 0.0 120.6 -172.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.0 mtm180 -150.15 44.4 0.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 114.846 -2.742 . . . . 0.0 110.552 154.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 56.1 t -66.9 -31.64 54.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 114.415 -1.266 . . . . 0.0 108.263 164.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -29.4 -59.54 0.15 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 129.198 2.999 . . . . 0.0 110.974 172.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.64 -24.59 69.72 Favored Glycine 0 CA--C 1.532 1.118 0 CA-C-N 119.71 1.141 . . . . 0.0 113.466 -172.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 mt -84.14 16.43 2.96 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 125.528 1.531 . . . . 0.0 111.615 176.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -160.2 30.45 0.17 Allowed 'General case' 0 CA--C 1.511 -0.52 0 C-N-CA 115.392 -2.523 . . . . 0.0 115.543 -159.445 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -129.35 71.13 82.07 Favored Pre-proline 0 N--CA 1.442 -0.857 0 O-C-N 123.539 0.525 . . . . 0.0 110.352 164.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -45.88 122.0 4.75 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 124.54 3.493 . . . . 0.0 111.775 167.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.176 0 C-N-CA 123.958 0.903 . . . . 0.0 109.648 -176.759 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.429 ' HA ' ' CD2' ' A' ' 6' ' ' HIS . 86.0 m . . . . . 0 N--CA 1.444 -0.768 0 CA-C-O 118.61 -0.71 . . . . 0.0 112.245 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.2 m -67.19 -28.11 67.82 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 170.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -67.03 -63.56 1.03 Allowed 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 118.007 -0.997 . . . . 0.0 111.018 175.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.429 ' CD2' ' HA ' ' A' ' 3' ' ' THR . 0.0 OUTLIER -78.55 -9.53 59.38 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 115.313 -2.555 . . . . 0.0 113.048 -162.584 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -29.36 -40.34 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.039 0 C-N-CA 130.819 3.647 . . . . 0.0 110.562 168.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -100.26 24.46 8.73 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 126.704 2.002 . . . . 0.0 115.967 -167.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 mt -67.21 -40.09 86.39 Favored 'General case' 0 CA--C 1.517 -0.308 0 C-N-CA 115.641 -2.424 . . . . 0.0 110.263 -161.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.2 mt -140.84 -2.52 1.33 Allowed 'General case' 0 C--N 1.317 -0.838 0 C-N-CA 127.35 2.26 . . . . 0.0 112.654 164.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 168.9 144.4 0.07 OUTLIER Pre-proline 0 N--CA 1.477 0.891 0 CA-C-O 117.559 -1.21 . . . . 0.0 110.725 -165.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -36.46 -43.07 0.76 Allowed 'Trans proline' 0 C--N 1.35 0.634 1 C-N-CA 126.046 4.497 . . . . 0.0 118.395 -174.28 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -144.72 47.54 1.35 Allowed 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 114.578 -2.849 . . . . 0.0 111.875 167.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.2 p -62.75 -25.27 37.86 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-N 112.51 -2.132 . . . . 0.0 108.642 150.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -41.72 75.27 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 126.812 2.045 . . . . 0.0 110.086 -167.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.28 -32.76 64.14 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 124.341 0.972 . . . . 0.0 112.881 175.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 mt -81.52 21.68 0.77 Allowed 'General case' 0 C--N 1.34 0.178 0 C-N-CA 125.966 1.707 . . . . 0.0 112.284 174.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -146.46 25.8 1.19 Allowed 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 116.684 -2.006 . . . . 0.0 112.371 -164.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -133.2 73.96 73.57 Favored Pre-proline 0 N--CA 1.441 -0.889 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 168.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -49.74 127.24 18.33 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.928 3.085 . . . . 0.0 112.244 175.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.157 0 C-N-CA 124.27 1.028 . . . . 0.0 109.411 -178.657 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.6 t . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 119.781 -0.152 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.2 m -64.7 -31.46 72.7 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 170.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -66.36 -59.4 3.73 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 118.764 -0.636 . . . . 0.0 110.789 174.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -77.68 -11.57 59.88 Favored 'General case' 0 C--O 1.221 -0.397 0 C-N-CA 116.086 -2.246 . . . . 0.0 113.098 -162.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.9 -39.25 1.77 Allowed 'General case' 0 C--O 1.212 -0.907 0 C-N-CA 128.046 2.538 . . . . 0.0 108.456 169.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -100.28 31.97 3.19 Favored 'General case' 0 N--CA 1.441 -0.911 0 C-N-CA 128.888 2.875 . . . . 0.0 114.691 -166.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.42 -42.82 92.1 Favored 'General case' 0 CA--C 1.519 -0.245 0 C-N-CA 114.684 -2.806 . . . . 0.0 109.231 -162.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 46.0 mt -141.57 3.52 1.69 Allowed 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 128.482 2.713 . . . . 0.0 111.97 165.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.5 t70 171.74 136.86 0.09 OUTLIER Pre-proline 0 N--CA 1.474 0.773 0 CA-C-O 116.215 -1.85 . . . . 0.0 110.75 -163.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -32.21 -36.88 0.06 OUTLIER 'Trans proline' 0 C--N 1.351 0.69 1 C-N-CA 126.796 4.997 . . . . 0.0 117.51 177.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -147.72 49.2 1.08 Allowed 'General case' 0 C--N 1.34 0.174 0 C-N-CA 112.361 -3.736 . . . . 0.0 113.654 162.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.2 p -66.5 -26.27 37.18 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-N 114.937 -1.029 . . . . 0.0 108.587 154.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -33.79 -46.15 0.21 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 129.382 3.073 . . . . 0.0 112.041 177.023 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.13 -34.42 87.96 Favored Glycine 0 CA--C 1.541 1.703 0 CA-C-N 119.674 1.124 . . . . 0.0 113.124 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mt -76.01 21.04 0.17 Allowed 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 127.586 2.354 . . . . 0.0 112.396 170.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -146.62 24.59 1.22 Allowed 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 116.702 -1.999 . . . . 0.0 112.785 -162.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -131.17 72.32 81.49 Favored Pre-proline 0 N--CA 1.441 -0.917 0 O-C-N 123.7 0.625 . . . . 0.0 110.269 169.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -46.27 125.91 9.34 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 124.331 3.354 . . . . 0.0 111.864 168.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.139 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.897 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 61.0 m . . . . . 0 N--CA 1.444 -0.747 0 CA-C-O 119.047 -0.502 . . . . 0.0 111.699 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.9 m -63.41 -32.92 74.49 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 170.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -68.5 -58.72 3.89 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 119.045 -0.502 . . . . 0.0 111.344 176.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -73.91 -25.47 60.01 Favored 'General case' 0 CA--C 1.513 -0.453 0 C-N-CA 117.014 -1.874 . . . . 0.0 112.8 -163.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -36.83 -41.03 0.3 Allowed 'General case' 0 C--O 1.212 -0.903 0 C-N-CA 128.969 2.908 . . . . 0.0 108.067 174.062 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.8 21.79 7.11 Favored 'General case' 0 N--CA 1.439 -0.978 0 C-N-CA 129.375 3.07 . . . . 0.0 116.006 -164.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -44.92 92.6 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 116.811 -1.956 . . . . 0.0 110.638 -163.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 46.4 mt -141.98 0.13 1.36 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 111.807 -2.451 . . . . 0.0 112.497 167.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.1 t70 167.92 134.57 0.04 OUTLIER Pre-proline 0 N--CA 1.476 0.868 0 CA-C-O 116.431 -1.747 . . . . 0.0 110.56 -161.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -33.45 -35.18 0.07 OUTLIER 'Trans proline' 0 CA--C 1.513 -0.549 1 C-N-CA 126.528 4.819 . . . . 0.0 118.178 -178.174 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -145.01 47.65 1.32 Allowed 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 113.294 -3.363 . . . . 0.0 113.414 166.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.7 p -65.84 -25.96 37.52 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 CA-C-N 114.061 -1.427 . . . . 0.0 108.902 154.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.5 -43.42 1.84 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 128.631 2.773 . . . . 0.0 110.908 -179.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.8 -37.22 76.31 Favored Glycine 0 CA--C 1.538 1.525 0 C-N-CA 124.699 1.142 . . . . 0.0 113.449 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mt -79.79 19.1 0.7 Allowed 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 127.726 2.41 . . . . 0.0 112.692 177.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -145.83 19.74 1.46 Allowed 'General case' 0 CA--C 1.513 -0.46 0 C-N-CA 114.992 -2.683 . . . . 0.0 114.113 -157.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -133.55 71.38 75.59 Favored Pre-proline 0 N--CA 1.438 -1.072 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.851 170.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_exo -46.36 110.06 0.25 Allowed 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 124.726 3.617 . . . . 0.0 112.478 173.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.167 0 C-N-CA 124.154 0.982 . . . . 0.0 109.452 -179.521 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.4 m . . . . . 0 N--CA 1.447 -0.602 0 CA-C-O 118.908 -0.568 . . . . 0.0 111.794 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 89.7 m -65.71 -28.68 69.23 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 172.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -68.98 -61.04 1.96 Allowed 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 119.268 -0.396 . . . . 0.0 110.955 173.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -77.34 -17.39 58.3 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 118.011 -1.475 . . . . 0.0 113.269 -162.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -32.01 -50.63 0.22 Allowed 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 129.006 2.922 . . . . 0.0 107.377 171.491 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.85 35.74 1.23 Allowed 'General case' 0 N--CA 1.435 -1.179 1 C-N-CA 132.124 4.169 . . . . 0.0 114.281 -165.607 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.91 -25.85 67.34 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 114.847 -2.741 . . . . 0.0 109.35 -165.072 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.4 mt -140.57 0.77 1.68 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 127.896 2.478 . . . . 0.0 112.38 158.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 166.68 148.09 0.06 OUTLIER Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 126.455 1.902 . . . . 0.0 108.703 -168.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -61.26 8.98 0.08 OUTLIER 'Trans proline' 0 N--CA 1.485 0.996 1 C-N-CA 125.896 4.397 . . . . 0.0 119.45 -163.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.0 mtp180 -151.23 41.47 0.73 Allowed 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 123.392 2.814 . . . . 0.0 109.331 151.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.1 t -67.06 -30.63 50.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 C-N-CA 125.01 1.324 . . . . 0.0 108.39 166.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -29.94 -49.09 0.1 Allowed 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 128.051 2.541 . . . . 0.0 111.056 168.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.63 -34.95 88.29 Favored Glycine 0 CA--C 1.53 1.031 0 C-N-CA 123.888 0.756 . . . . 0.0 112.323 -174.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.9 mp -86.67 16.54 4.63 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 125.021 1.328 . . . . 0.0 110.859 -175.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -145.38 16.9 1.51 Allowed 'General case' 0 CA--C 1.517 -0.318 0 C-N-CA 116.361 -2.136 . . . . 0.0 113.635 -159.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -132.95 71.8 77.57 Favored Pre-proline 0 N--CA 1.44 -0.946 0 C-N-CA 123.061 0.544 . . . . 0.0 109.828 169.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -54.68 135.25 66.41 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.498 2.799 . . . . 0.0 111.974 175.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.206 0 C-N-CA 123.709 0.803 . . . . 0.0 109.418 177.795 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.2 t . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 119.825 -0.131 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 77.4 m -66.7 -27.01 67.3 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 169.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -68.74 -59.09 3.34 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 118.784 -0.627 . . . . 0.0 110.47 173.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -78.75 -11.53 59.99 Favored 'General case' 0 C--O 1.225 -0.228 0 C-N-CA 116.008 -2.277 . . . . 0.0 113.074 -162.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.14 -44.62 1.85 Allowed 'General case' 0 C--O 1.216 -0.693 0 C-N-CA 127.935 2.494 . . . . 0.0 107.13 169.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.32 31.25 2.0 Allowed 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 129.175 2.99 . . . . 0.0 114.485 -164.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.62 -44.28 82.46 Favored 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 114.977 -2.689 . . . . 0.0 108.694 -163.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.7 mt -134.33 -5.39 2.63 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 111.454 -2.612 . . . . 0.0 113.077 166.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 168.52 137.6 0.05 OUTLIER Pre-proline 0 N--CA 1.472 0.665 0 CA-C-O 116.746 -1.597 . . . . 0.0 110.347 -163.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -31.9 -39.65 0.08 OUTLIER 'Trans proline' 0 C--N 1.349 0.594 1 C-N-CA 127.331 5.354 . . . . 0.0 118.544 -175.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.06 50.71 1.41 Allowed 'General case' 0 C--N 1.338 0.083 0 C-N-CA 113.176 -3.41 . . . . 0.0 113.101 166.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.5 p -69.9 -25.38 27.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-N 113.257 -1.792 . . . . 0.0 108.909 153.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.39 -44.66 0.93 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 129.385 3.074 . . . . 0.0 111.746 -178.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.7 -40.43 79.58 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 124.763 1.173 . . . . 0.0 112.997 178.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 mt -74.24 20.92 0.1 Allowed 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 127.826 2.451 . . . . 0.0 112.534 171.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -146.87 25.26 1.16 Allowed 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 116.723 -1.991 . . . . 0.0 112.676 -163.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -131.33 72.62 80.87 Favored Pre-proline 0 N--CA 1.441 -0.905 0 O-C-N 123.747 0.654 . . . . 0.0 110.224 168.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -52.08 121.66 9.22 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 123.735 2.957 . . . . 0.0 111.698 172.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.169 0 C-N-CA 124.026 0.93 . . . . 0.0 109.209 179.965 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 65.5 m . . . . . 0 N--CA 1.443 -0.804 0 CA-C-O 118.854 -0.593 . . . . 0.0 111.995 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 55.8 m -59.73 -31.98 70.12 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 173.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -67.45 -53.28 30.36 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 118.995 -0.526 . . . . 0.0 111.868 176.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.409 ' C ' ' H ' ' A' ' 8' ' ' ALA . 1.5 p-80 -73.93 -17.86 60.97 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 117.561 -1.656 . . . . 0.0 112.653 -165.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -51.38 -11.49 0.12 Allowed 'General case' 0 CA--C 1.552 1.047 1 C-N-CA 132.076 4.15 . . . . 0.0 111.234 170.268 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.409 ' H ' ' C ' ' A' ' 6' ' ' HIS . . . -115.84 15.96 16.3 Favored 'General case' 0 CA--C 1.499 -1.01 0 N-CA-C 118.998 2.962 . . . . 0.0 118.998 -175.508 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -52.2 43.91 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 116.551 -2.06 . . . . 0.0 109.031 -162.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 95.5 mt -138.75 3.53 2.27 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 129.081 2.952 . . . . 0.0 111.561 165.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 21.0 t70 173.68 159.82 0.31 Allowed Pre-proline 0 N--CA 1.475 0.802 0 C-N-CA 123.891 0.877 . . . . 0.0 110.718 -162.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -55.25 -33.56 85.14 Favored 'Trans proline' 0 CA--C 1.498 -1.314 0 C-N-CA 124.199 3.266 . . . . 0.0 118.194 170.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.84 53.51 0.71 Allowed 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 112.041 -3.863 . . . . 0.0 112.385 166.279 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.6 p -63.05 -28.6 45.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 110.728 -2.942 . . . . 0.0 108.323 149.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.1 ppt_? -40.56 -40.51 1.27 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 128.979 2.912 . . . . 0.0 112.417 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.43 -30.56 61.91 Favored Glycine 0 CA--C 1.541 1.714 0 CA-C-N 119.744 1.157 . . . . 0.0 113.254 179.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 mt -88.34 17.83 4.93 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 127.71 2.404 . . . . 0.0 112.588 177.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -145.72 22.42 1.44 Allowed 'General case' 0 CA--C 1.513 -0.479 0 C-N-CA 114.584 -2.847 . . . . 0.0 114.451 -155.14 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -135.19 72.5 66.43 Favored Pre-proline 0 N--CA 1.439 -0.997 0 O-C-N 123.619 0.574 . . . . 0.0 109.873 168.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -51.52 114.49 1.6 Allowed 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 123.819 3.013 . . . . 0.0 112.04 175.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.195 0 C-N-CA 124.037 0.935 . . . . 0.0 109.598 -179.635 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 54.3 m -62.25 -27.28 68.89 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 118.826 0.739 . . . . 0.0 109.691 174.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -67.38 -58.31 5.02 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-O 119.131 -0.461 . . . . 0.0 110.842 175.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -79.45 -11.94 59.9 Favored 'General case' 0 C--O 1.223 -0.322 0 C-N-CA 116.324 -2.151 . . . . 0.0 113.099 -162.417 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.62 -39.48 2.37 Favored 'General case' 0 C--O 1.212 -0.91 0 C-N-CA 128.066 2.546 . . . . 0.0 108.297 169.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.44 31.35 3.17 Favored 'General case' 0 N--CA 1.441 -0.909 0 C-N-CA 129.087 2.955 . . . . 0.0 114.665 -166.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.51 -42.85 91.6 Favored 'General case' 0 CA--C 1.52 -0.191 0 C-N-CA 114.802 -2.759 . . . . 0.0 109.133 -162.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 46.5 mt -141.38 2.65 1.67 Allowed 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 128.3 2.64 . . . . 0.0 112.173 165.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.3 t70 171.96 136.22 0.09 OUTLIER Pre-proline 0 N--CA 1.475 0.811 0 CA-C-O 116.134 -1.889 . . . . 0.0 110.717 -163.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -33.65 -34.25 0.07 OUTLIER 'Trans proline' 0 C--N 1.351 0.697 1 C-N-CA 126.85 5.033 . . . . 0.0 117.725 178.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -147.41 48.75 1.1 Allowed 'General case' 0 C--N 1.339 0.14 0 C-N-CA 112.414 -3.714 . . . . 0.0 113.589 162.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.9 p -67.17 -27.58 39.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-N 115.103 -0.953 . . . . 0.0 108.617 155.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -32.04 -47.03 0.13 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 129.447 3.099 . . . . 0.0 112.061 176.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.75 -40.14 92.39 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 124.856 1.217 . . . . 0.0 112.847 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 mt -73.2 20.98 0.08 Allowed 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 127.743 2.417 . . . . 0.0 112.742 170.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -145.62 25.36 1.33 Allowed 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 116.848 -1.941 . . . . 0.0 112.375 -164.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -133.74 71.96 74.02 Favored Pre-proline 0 N--CA 1.441 -0.896 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.158 168.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -50.48 159.32 2.16 Favored 'Trans proline' 0 CA--C 1.533 0.464 0 C-N-CA 124.461 3.441 . . . . 0.0 113.152 169.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.198 0 C-N-CA 124.056 0.942 . . . . 0.0 109.818 179.733 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.7 t . . . . . 0 N--CA 1.457 -0.106 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.1 m -66.98 -22.5 65.92 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 174.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -72.44 -54.57 8.96 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 118.306 0.503 . . . . 0.0 110.92 173.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -76.55 -10.2 59.22 Favored 'General case' 0 C--O 1.224 -0.284 0 C-N-CA 116.683 -2.007 . . . . 0.0 113.682 -162.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -36.29 -47.41 0.59 Allowed 'General case' 0 N--CA 1.438 -1.029 1 C-N-CA 132.03 4.132 . . . . 0.0 107.833 163.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -101.58 39.54 1.43 Allowed 'General case' 0 CA--C 1.503 -0.839 0 C-N-CA 130.875 3.67 . . . . 0.0 115.712 -166.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.0 -31.0 72.03 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 114.147 -3.021 . . . . 0.0 110.063 -164.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.7 mt -138.44 1.14 2.14 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.98 2.112 . . . . 0.0 112.222 161.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 168.03 151.58 0.11 Allowed Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 125.906 1.682 . . . . 0.0 108.393 -169.027 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -52.28 -14.14 2.62 Favored 'Trans proline' 0 CA--C 1.505 -0.973 1 C-N-CA 126.457 4.771 . . . . 0.0 120.566 -169.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.9 mtm105 -144.68 47.54 1.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 112.546 -3.662 . . . . 0.0 111.018 156.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.5 t -67.35 -22.54 29.03 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.827 0 CA-C-N 112.161 -2.291 . . . . 0.0 107.599 156.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -44.18 -43.81 7.35 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.71 1.604 . . . . 0.0 110.628 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.65 -36.35 39.76 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 125.109 1.337 . . . . 0.0 113.433 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.8 mp -86.72 12.3 11.07 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 125.578 1.551 . . . . 0.0 110.83 -172.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -141.38 23.16 2.17 Favored 'General case' 0 CA--C 1.511 -0.529 0 C-N-CA 116.353 -2.139 . . . . 0.0 113.203 -155.05 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -134.01 73.52 70.41 Favored Pre-proline 0 N--CA 1.438 -1.042 0 O-C-N 123.499 0.5 . . . . 0.0 110.228 169.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -50.59 132.85 36.98 Favored 'Trans proline' 0 N--CA 1.456 -0.717 0 C-N-CA 123.721 2.947 . . . . 0.0 111.503 170.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.118 0 C-N-CA 124.015 0.926 . . . . 0.0 108.849 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.9 t . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 119.319 -0.372 . . . . 0.0 111.836 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.2 m -63.46 -33.88 76.54 Favored 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 168.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -65.35 -60.94 2.44 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 118.84 -0.6 . . . . 0.0 110.871 178.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -76.21 -21.67 56.17 Favored 'General case' 0 CA--C 1.514 -0.408 0 C-N-CA 116.727 -1.989 . . . . 0.0 113.195 -163.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -32.59 -43.03 0.08 Allowed 'General case' 0 C--O 1.211 -0.938 0 C-N-CA 129.255 3.022 . . . . 0.0 109.4 172.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -98.96 28.62 4.26 Favored 'General case' 0 N--CA 1.434 -1.258 0 C-N-CA 130.322 3.449 . . . . 0.0 114.83 -165.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.02 -46.81 82.8 Favored 'General case' 0 CA--C 1.521 -0.136 0 C-N-CA 115.679 -2.408 . . . . 0.0 108.508 -160.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.1 mp -133.75 -4.46 2.87 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 129.455 3.102 . . . . 0.0 112.811 163.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.7 t70 178.32 135.45 0.23 Allowed Pre-proline 0 N--CA 1.471 0.618 0 CA-C-O 116.304 -1.808 . . . . 0.0 110.95 -162.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -36.15 -32.52 0.11 Allowed 'Trans proline' 0 C--N 1.348 0.517 1 C-N-CA 126.149 4.566 . . . . 0.0 117.473 -178.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -147.04 49.44 1.12 Allowed 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 112.671 -3.612 . . . . 0.0 113.871 161.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.1 p -65.34 -31.78 55.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 155.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -32.89 -48.67 0.21 Allowed 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 127.547 2.339 . . . . 0.0 110.556 173.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.74 -18.82 77.66 Favored Glycine 0 CA--C 1.529 0.912 0 C-N-CA 124.856 1.217 . . . . 0.0 113.496 -169.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.445 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -89.77 3.85 51.53 Favored 'General case' 0 N--CA 1.434 -1.259 0 CA-C-N 119.284 1.542 . . . . 0.0 109.267 -178.009 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -147.8 36.76 0.87 Allowed 'General case' 0 CA--C 1.507 -0.694 0 N-CA-C 116.477 2.029 . . . . 0.0 116.477 -144.187 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -128.27 72.77 79.98 Favored Pre-proline 0 N--CA 1.442 -0.845 0 C-N-CA 120.026 -0.67 . . . . 0.0 110.241 163.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -48.85 127.99 17.95 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 123.872 3.048 . . . . 0.0 112.117 171.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.173 0 C-N-CA 124.402 1.081 . . . . 0.0 109.294 -178.389 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.2 t . . . . . 0 N--CA 1.456 -0.125 0 N-CA-C 111.521 0.193 . . . . 0.0 111.521 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 51.6 m -64.59 -26.8 68.56 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 169.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -68.37 -58.95 3.57 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 119.071 -0.49 . . . . 0.0 110.951 176.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -74.54 -16.07 60.84 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 116.929 -1.908 . . . . 0.0 112.988 -164.088 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -37.02 -37.12 0.14 Allowed 'General case' 0 N--CA 1.435 -1.198 0 C-N-CA 129.897 3.279 . . . . 0.0 109.185 165.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -100.62 30.68 3.83 Favored 'General case' 0 CA--C 1.505 -0.773 0 C-N-CA 126.851 2.061 . . . . 0.0 114.391 -170.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.58 -45.31 65.6 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 115.544 -2.463 . . . . 0.0 109.449 -160.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 98.6 mt -139.92 3.47 2.02 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 128.373 2.669 . . . . 0.0 112.448 167.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.5 t70 166.71 139.65 0.04 OUTLIER Pre-proline 0 N--CA 1.478 0.952 0 CA-C-O 116.628 -1.653 . . . . 0.0 110.249 -162.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_exo -31.42 -44.0 0.14 Allowed 'Trans proline' 0 C--N 1.349 0.585 1 C-N-CA 125.671 4.248 . . . . 0.0 117.13 173.478 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.92 54.03 1.22 Allowed 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 113.107 -3.437 . . . . 0.0 113.071 166.242 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.7 p -65.89 -32.89 60.17 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 CA-C-N 113.795 -1.548 . . . . 0.0 107.982 152.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -32.39 -52.48 0.29 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 130.281 3.432 . . . . 0.0 110.758 -179.325 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.89 -38.25 83.14 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 125.029 1.3 . . . . 0.0 113.397 -176.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 mt -80.65 17.1 1.19 Allowed 'General case' 0 CA--C 1.519 -0.221 0 C-N-CA 126.57 1.948 . . . . 0.0 112.237 178.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -143.13 25.02 1.77 Allowed 'General case' 0 CA--C 1.518 -0.255 0 C-N-CA 116.182 -2.207 . . . . 0.0 112.382 -159.428 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -133.03 75.43 71.97 Favored Pre-proline 0 N--CA 1.445 -0.706 0 C-N-CA 123.706 0.802 . . . . 0.0 109.784 172.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -49.18 144.48 16.7 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 124.413 3.409 . . . . 0.0 112.657 171.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.206 0 C-N-CA 123.789 0.836 . . . . 0.0 109.572 179.311 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 54.4 m . . . . . 0 N--CA 1.444 -0.742 0 CA-C-O 119.171 -0.442 . . . . 0.0 111.513 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 51.0 m -66.28 -25.75 67.01 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 173.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -74.13 -57.43 3.97 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 118.771 -0.633 . . . . 0.0 110.819 173.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -78.54 -8.47 58.61 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 116.601 -2.04 . . . . 0.0 113.307 -163.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.02 -50.27 1.78 Allowed 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 129.951 3.3 . . . . 0.0 106.402 166.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -97.05 38.57 1.23 Allowed 'General case' 0 N--CA 1.437 -1.096 0 C-N-CA 131.501 3.921 . . . . 0.0 115.281 -163.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.48 -28.12 68.98 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 113.968 -3.093 . . . . 0.0 109.166 -167.031 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.2 mt -139.04 0.02 1.91 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 127.253 2.221 . . . . 0.0 112.534 161.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 168.19 145.36 0.07 OUTLIER Pre-proline 0 CA--C 1.548 0.893 0 CA-C-O 116.258 -1.83 . . . . 0.0 108.748 -169.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -48.67 -4.85 0.04 OUTLIER 'Trans proline' 0 N--CA 1.486 1.066 1 C-N-CA 128.102 5.868 . . . . 0.0 120.871 -170.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.3 mtm105 -147.06 41.6 1.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 114.204 -2.998 . . . . 0.0 110.947 156.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 70.7 t -70.74 -25.3 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 CA-C-N 113.544 -1.662 . . . . 0.0 108.543 163.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -31.4 -45.37 0.08 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 127.279 2.232 . . . . 0.0 111.456 169.684 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.27 -39.16 81.29 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 125.047 1.308 . . . . 0.0 112.827 -178.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.7 mp -81.9 12.65 3.87 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 126.122 1.769 . . . . 0.0 111.101 -175.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -142.67 17.68 2.0 Favored 'General case' 0 CA--C 1.511 -0.53 0 C-N-CA 116.112 -2.235 . . . . 0.0 113.777 -155.011 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -131.04 71.11 82.52 Favored Pre-proline 0 N--CA 1.439 -1.016 0 O-C-N 123.632 0.583 . . . . 0.0 110.524 169.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -48.63 142.89 17.41 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 124.33 3.354 . . . . 0.0 112.142 167.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.214 0 C-N-CA 123.699 0.8 . . . . 0.0 109.594 179.094 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.7 t . . . . . 0 N--CA 1.464 0.25 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 46.0 m -55.83 -26.67 47.73 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 169.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -63.23 -64.77 0.81 Allowed 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 123.614 0.766 . . . . 0.0 111.614 177.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.415 ' C ' ' H ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -79.54 -14.45 58.85 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 117.988 -1.485 . . . . 0.0 112.83 -163.262 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.38 -22.25 0.01 OUTLIER 'General case' 0 C--O 1.214 -0.777 0 C-N-CA 130.53 3.532 . . . . 0.0 112.877 169.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.415 ' H ' ' C ' ' A' ' 6' ' ' HIS . . . -110.6 24.56 12.81 Favored 'General case' 0 CA--C 1.504 -0.823 0 C-N-CA 127.285 2.234 . . . . 0.0 115.531 -175.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 mt -66.81 -49.99 64.05 Favored 'General case' 0 CA--C 1.513 -0.465 0 C-N-CA 115.403 -2.519 . . . . 0.0 109.066 -159.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 mp -131.47 0.13 4.02 Favored 'General case' 0 C--N 1.315 -0.898 0 C-N-CA 127.671 2.388 . . . . 0.0 111.74 166.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.2 t70 171.86 158.61 0.24 Allowed Pre-proline 0 N--CA 1.479 1.015 0 C-N-CA 124.999 1.32 . . . . 0.0 110.128 -164.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER -29.84 -63.0 0.1 OUTLIER 'Trans proline' 0 C--N 1.351 0.692 1 C-N-CA 126.525 4.817 . . . . 0.0 117.182 162.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.43 46.21 1.3 Allowed 'General case' 0 CA--C 1.52 -0.212 0 C-N-CA 114.987 -2.685 . . . . 0.0 112.749 176.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.4 p -60.32 -32.66 51.43 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.371 0 CA-C-N 111.534 -2.575 . . . . 0.0 106.938 145.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.42 -38.64 6.2 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 127.204 2.202 . . . . 0.0 110.039 -176.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.29 -36.8 91.83 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 124.226 0.917 . . . . 0.0 112.471 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.9 mp -84.95 8.89 16.04 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 125.148 1.379 . . . . 0.0 110.341 -175.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -130.06 24.67 5.27 Favored 'General case' 0 CA--C 1.517 -0.321 0 C-N-CA 117.73 -1.588 . . . . 0.0 111.833 -154.002 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -131.7 70.87 81.18 Favored Pre-proline 0 N--CA 1.438 -1.031 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.83 169.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -47.41 132.4 19.64 Favored 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 124.349 3.366 . . . . 0.0 112.122 170.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.193 0 C-N-CA 123.832 0.853 . . . . 0.0 109.218 178.228 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 59.1 m . . . . . 0 N--CA 1.445 -0.69 0 CA-C-O 119.311 -0.375 . . . . 0.0 111.898 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 93.4 m -63.66 -30.95 71.99 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 172.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -66.19 -60.0 3.22 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-O 119.109 -0.472 . . . . 0.0 111.058 173.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -76.85 -15.1 59.81 Favored 'General case' 0 CA--C 1.515 -0.383 0 C-N-CA 117.302 -1.759 . . . . 0.0 113.37 -162.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -36.44 -49.17 0.71 Allowed 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 128.414 2.686 . . . . 0.0 107.435 172.391 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.89 34.6 1.51 Allowed 'General case' 0 N--CA 1.437 -1.119 1 C-N-CA 131.891 4.076 . . . . 0.0 114.482 -165.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.58 -31.02 71.84 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 114.79 -2.764 . . . . 0.0 109.638 -163.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 97.6 mt -136.15 0.68 2.62 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 127.166 2.187 . . . . 0.0 112.448 161.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 166.88 146.58 0.05 OUTLIER Pre-proline 0 CA--C 1.544 0.748 0 CA-C-O 116.207 -1.854 . . . . 0.0 108.596 -167.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -63.92 14.1 0.08 OUTLIER 'Trans proline' 0 N--CA 1.483 0.854 1 C-N-CA 125.574 4.182 . . . . 0.0 118.837 -165.415 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 46.2 mtp180 -153.82 43.94 0.57 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 122.423 2.374 . . . . 0.0 109.032 149.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.9 t -67.13 -32.05 55.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 166.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -27.54 -60.76 0.1 Allowed 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 129.522 3.129 . . . . 0.0 110.877 171.156 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.45 -25.17 68.37 Favored Glycine 0 CA--C 1.533 1.213 0 CA-C-N 119.913 1.233 . . . . 0.0 113.561 -172.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 mt -85.73 13.96 6.49 Favored 'General case' 0 CA--C 1.514 -0.43 0 C-N-CA 125.932 1.693 . . . . 0.0 111.6 176.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -160.08 36.25 0.18 Allowed 'General case' 0 CA--C 1.508 -0.651 0 C-N-CA 115.462 -2.495 . . . . 0.0 115.631 -158.232 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -129.74 72.23 81.98 Favored Pre-proline 0 N--CA 1.441 -0.88 0 O-C-N 123.78 0.675 . . . . 0.0 110.323 162.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -50.71 130.74 31.4 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 123.827 3.018 . . . . 0.0 112.187 171.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.189 0 C-N-CA 123.877 0.871 . . . . 0.0 109.476 179.204 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.9 t . . . . . 0 N--CA 1.456 -0.136 0 CA-C-O 119.442 -0.313 . . . . 0.0 111.541 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.0 m -58.89 -31.92 69.03 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 172.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -59.12 -54.99 40.74 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 123.987 0.915 . . . . 0.0 111.917 174.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -74.96 -23.02 58.23 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 117.988 -1.485 . . . . 0.0 112.8 -164.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -50.16 -11.35 0.07 Allowed 'General case' 0 CA--C 1.549 0.94 1 C-N-CA 132.004 4.122 . . . . 0.0 111.289 169.57 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -113.17 18.26 18.07 Favored 'General case' 0 CA--C 1.503 -0.836 0 N-CA-C 117.847 2.536 . . . . 0.0 117.847 -178.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -50.49 62.13 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 116.694 -2.002 . . . . 0.0 109.7 -162.403 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 35.4 mt -142.36 4.37 1.58 Allowed 'General case' 0 C--N 1.313 -0.999 0 C-N-CA 129.025 2.93 . . . . 0.0 111.517 166.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.0 t70 175.33 159.07 0.39 Allowed Pre-proline 0 N--CA 1.478 0.967 0 C-N-CA 123.079 0.552 . . . . 0.0 110.777 -163.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -50.11 -38.62 50.56 Favored 'Trans proline' 0 CA--C 1.503 -1.047 0 C-N-CA 124.49 3.46 . . . . 0.0 117.747 169.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.54 48.43 0.81 Allowed 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 113.054 -3.458 . . . . 0.0 112.706 168.415 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.3 p -59.36 -29.19 41.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-N 112.224 -2.262 . . . . 0.0 108.177 150.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -39.73 -43.52 1.41 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 128.708 2.803 . . . . 0.0 111.321 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.52 -36.79 64.95 Favored Glycine 0 CA--C 1.539 1.543 0 CA-C-N 119.611 1.096 . . . . 0.0 113.536 179.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 mt -81.94 19.08 1.17 Allowed 'General case' 0 CA--C 1.516 -0.335 0 C-N-CA 127.64 2.376 . . . . 0.0 112.589 177.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -146.1 20.95 1.41 Allowed 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 114.947 -2.701 . . . . 0.0 114.144 -157.467 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -133.97 72.24 72.65 Favored Pre-proline 0 N--CA 1.439 -0.982 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.711 169.591 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -47.61 138.4 19.36 Favored 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 124.323 3.349 . . . . 0.0 112.675 171.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.191 0 C-N-CA 124.136 0.974 . . . . 0.0 109.625 -179.608 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 26.0 m . . . . . 0 N--CA 1.446 -0.657 0 N-CA-C 111.6 0.222 . . . . 0.0 111.6 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 23.6 m -62.98 -28.95 70.44 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 173.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -66.57 -56.8 9.1 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 118.447 -0.787 . . . . 0.0 111.556 172.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -74.08 -19.45 60.6 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 115.395 -2.522 . . . . 0.0 112.559 -161.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.29 -36.22 0.32 Allowed 'General case' 0 C--O 1.212 -0.911 0 C-N-CA 129.679 3.192 . . . . 0.0 109.471 169.688 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -102.56 19.2 19.48 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 128.197 2.599 . . . . 0.0 116.83 -164.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 mp -67.94 -40.97 83.2 Favored 'General case' 0 CA--C 1.515 -0.383 0 C-N-CA 114.858 -2.737 . . . . 0.0 110.908 -159.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 94.7 mt -137.08 0.45 2.36 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 126.801 2.041 . . . . 0.0 112.953 168.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.7 t70 170.71 138.7 0.08 OUTLIER Pre-proline 0 N--CA 1.474 0.769 0 CA-C-O 116.372 -1.775 . . . . 0.0 111.159 -162.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -34.53 -35.19 0.09 OUTLIER 'Trans proline' 0 CA--C 1.512 -0.612 1 C-N-CA 126.245 4.63 . . . . 0.0 117.334 174.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.3 mtm105 -147.08 48.81 1.13 Allowed 'General case' 0 C--N 1.339 0.147 0 C-N-CA 112.464 -3.694 . . . . 0.0 113.779 162.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.7 p -65.93 -25.68 36.69 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.313 0 CA-C-N 114.974 -1.012 . . . . 0.0 108.886 154.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -35.7 -47.39 0.48 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 128.759 2.824 . . . . 0.0 111.118 177.133 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.6 -41.87 93.84 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 125.262 1.411 . . . . 0.0 112.803 177.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mt -70.58 19.61 0.05 OUTLIER 'General case' 0 CA--C 1.519 -0.236 0 C-N-CA 127.358 2.263 . . . . 0.0 113.017 169.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -145.98 25.07 1.3 Allowed 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 117.262 -1.775 . . . . 0.0 112.195 -166.188 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -129.64 70.91 82.14 Favored Pre-proline 0 N--CA 1.442 -0.832 0 C-N-CA 123.203 0.601 . . . . 0.0 109.702 168.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -46.33 126.3 9.9 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 124.554 3.503 . . . . 0.0 112.215 171.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.181 0 C-N-CA 124.272 1.029 . . . . 0.0 109.441 -179.086 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 N--CA 1.455 -0.217 0 CA-C-O 119.536 -0.269 . . . . 0.0 111.611 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.4 m -65.43 -30.47 71.27 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 171.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -62.3 -56.17 21.09 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 118.693 -0.67 . . . . 0.0 110.848 173.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -76.15 -14.25 60.17 Favored 'General case' 0 C--O 1.222 -0.355 0 C-N-CA 115.86 -2.336 . . . . 0.0 112.518 -164.413 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -52.94 -15.22 0.71 Allowed 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 129.267 3.027 . . . . 0.0 110.457 169.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -112.1 32.11 5.76 Favored 'General case' 0 CA--C 1.508 -0.641 0 C-N-CA 127.401 2.28 . . . . 0.0 115.48 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.16 -46.39 74.15 Favored 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 114.295 -2.962 . . . . 0.0 108.845 -161.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 28.9 mt -140.3 6.7 2.14 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 111.251 -2.704 . . . . 0.0 111.152 165.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.4 t70 172.5 155.37 0.24 Allowed Pre-proline 0 N--CA 1.478 0.941 0 C-N-CA 124.598 1.159 . . . . 0.0 110.174 -165.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -27.37 -63.77 0.07 OUTLIER 'Trans proline' 0 C--N 1.351 0.67 1 C-N-CA 126.373 4.715 . . . . 0.0 116.551 161.685 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.93 47.45 1.43 Allowed 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 113.981 -3.088 . . . . 0.0 113.704 175.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.2 p -62.93 -25.77 39.3 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.386 0 CA-C-N 112.376 -2.193 . . . . 0.0 107.988 147.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.02 -36.45 0.68 Allowed 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 127.286 2.235 . . . . 0.0 110.769 176.189 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.63 -34.92 90.23 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 124.982 1.277 . . . . 0.0 113.249 178.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.1 mp -78.64 9.03 4.42 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 126.54 1.936 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -133.52 21.03 3.94 Favored 'General case' 0 CA--C 1.511 -0.544 0 C-N-CA 118.133 -1.427 . . . . 0.0 113.104 -152.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -132.28 70.41 80.04 Favored Pre-proline 0 N--CA 1.442 -0.861 0 O-C-N 123.881 0.738 . . . . 0.0 111.393 168.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -56.81 158.32 17.19 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 123.833 3.022 . . . . 0.0 111.912 166.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.235 0 C-N-CA 123.362 0.665 . . . . 0.0 109.508 173.51 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.431 ' HA ' ' CE1' ' A' ' 6' ' ' HIS . 20.8 m . . . . . 0 N--CA 1.447 -0.617 0 CA-C-O 119.003 -0.522 . . . . 0.0 111.797 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.8 m -64.15 -29.36 70.48 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 169.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -71.41 -54.23 11.4 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 119.092 -0.48 . . . . 0.0 112.038 177.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.431 ' CE1' ' HA ' ' A' ' 3' ' ' THR . 1.6 p-80 -74.14 -21.1 60.01 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 117.701 -1.6 . . . . 0.0 112.466 -163.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -49.33 -13.78 0.08 Allowed 'General case' 0 CA--C 1.553 1.088 1 C-N-CA 132.027 4.131 . . . . 0.0 110.959 172.427 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -110.82 14.34 22.18 Favored 'General case' 0 CA--C 1.5 -0.956 0 N-CA-C 117.724 2.49 . . . . 0.0 117.724 -174.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.86 -48.63 65.61 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 116.849 -1.94 . . . . 0.0 108.833 -162.529 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 44.2 mt -141.92 4.18 1.66 Allowed 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 128.951 2.9 . . . . 0.0 111.28 162.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 170.04 155.5 0.19 Allowed Pre-proline 0 CA--C 1.546 0.817 0 C-N-CA 123.575 0.75 . . . . 0.0 111.29 -162.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_exo -51.16 -32.26 39.38 Favored 'Trans proline' 0 CA--C 1.499 -1.273 0 C-N-CA 125.105 3.87 . . . . 0.0 117.955 175.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.71 53.51 0.72 Allowed 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 112.576 -3.65 . . . . 0.0 111.344 165.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.0 p -64.05 -25.19 37.53 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 CA-C-N 110.529 -3.032 . . . . 0.0 108.531 149.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 ppt_? -47.46 -41.3 20.25 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 128.447 2.699 . . . . 0.0 111.838 -173.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.99 -33.8 51.19 Favored Glycine 0 CA--C 1.538 1.523 0 C-N-CA 124.259 0.933 . . . . 0.0 113.149 177.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 mt -84.73 21.59 1.51 Allowed 'General case' 0 CA--C 1.518 -0.282 0 C-N-CA 127.592 2.357 . . . . 0.0 112.511 177.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -150.96 22.27 0.77 Allowed 'General case' 0 CA--C 1.511 -0.534 0 C-N-CA 115.528 -2.469 . . . . 0.0 114.808 -160.338 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -133.02 71.83 77.34 Favored Pre-proline 0 N--CA 1.438 -1.069 0 O-C-N 123.44 0.463 . . . . 0.0 109.854 167.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -49.99 128.24 21.54 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 124.138 3.225 . . . . 0.0 112.259 174.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.194 0 C-N-CA 124.076 0.95 . . . . 0.0 109.602 -179.573 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.7 t . . . . . 0 N--CA 1.456 -0.154 0 CA-C-O 119.724 -0.179 . . . . 0.0 111.398 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 20.5 m -65.66 -30.64 71.36 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 169.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -62.39 -55.68 25.6 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 118.312 -0.851 . . . . 0.0 111.012 176.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.449 ' C ' ' H ' ' A' ' 8' ' ' ALA . 0.5 OUTLIER -69.48 -23.58 63.66 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 116.538 -2.065 . . . . 0.0 111.23 -167.175 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.62 1.04 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 129.959 3.303 . . . . 0.0 110.932 169.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.449 ' H ' ' C ' ' A' ' 6' ' ' HIS . . . -113.95 19.74 16.31 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 126.998 2.119 . . . . 0.0 115.375 172.185 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 mt -69.3 -53.95 17.08 Favored 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 116.259 -2.176 . . . . 0.0 109.363 -156.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 mp -127.68 7.14 6.22 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 127.266 2.227 . . . . 0.0 111.669 168.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 169.91 177.42 0.09 OUTLIER Pre-proline 0 N--CA 1.467 0.381 0 C-N-CA 125.782 1.633 . . . . 0.0 106.853 -166.264 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -31.35 -117.65 0.0 OUTLIER 'Trans proline' 0 CA--C 1.51 -0.713 1 C-N-CA 126.398 4.732 . . . . 0.0 115.743 143.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.1 mtm180 -103.01 36.99 2.06 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 116.317 -2.153 . . . . 0.0 112.033 -158.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.9 p -60.55 -27.33 40.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-N 111.92 -2.4 . . . . 0.0 108.696 155.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.4 -42.26 2.22 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.984 2.114 . . . . 0.0 110.452 176.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.0 -37.23 57.86 Favored Glycine 0 CA--C 1.53 0.971 0 C-N-CA 125.054 1.311 . . . . 0.0 112.499 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.4 mp -84.75 15.96 3.57 Favored 'General case' 0 N--CA 1.44 -0.942 0 C-N-CA 125.945 1.698 . . . . 0.0 110.904 -172.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -140.69 20.64 2.34 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 117.406 -1.718 . . . . 0.0 112.074 -161.203 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -135.52 71.86 65.12 Favored Pre-proline 0 N--CA 1.434 -1.226 0 C-N-CA 123.871 0.868 . . . . 0.0 108.832 169.441 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -48.95 155.21 2.76 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 124.046 3.164 . . . . 0.0 112.327 170.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.196 0 C-N-CA 124.185 0.994 . . . . 0.0 109.695 -177.986 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.232 0.173 0 CA-C-O 119.002 -0.523 . . . . 0.0 112.293 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 34.5 m -74.03 -20.63 60.24 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 173.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -70.84 -59.56 2.73 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 119.59 -0.243 . . . . 0.0 110.387 169.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -75.28 -15.16 60.54 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 117.893 -1.523 . . . . 0.0 112.996 -161.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -29.12 -51.65 0.1 Allowed 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 130.491 3.516 . . . . 0.0 107.505 168.692 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.4 36.68 1.23 Allowed 'General case' 0 N--CA 1.436 -1.167 0 C-N-CA 131.499 3.919 . . . . 0.0 114.085 -166.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.99 -25.13 66.95 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 114.822 -2.751 . . . . 0.0 109.496 -165.385 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 90.4 mt -137.25 -5.0 1.86 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 127.741 2.417 . . . . 0.0 112.638 157.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 168.55 149.87 0.11 Allowed Pre-proline 0 CA--C 1.547 0.855 0 C-N-CA 126.493 1.917 . . . . 0.0 108.957 -166.513 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -60.16 4.03 0.2 Allowed 'Trans proline' 0 N--CA 1.481 0.784 1 C-N-CA 125.415 4.076 . . . . 0.0 119.275 -161.335 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.6 mtm-85 -148.87 41.4 0.93 Allowed 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 124.177 3.171 . . . . 0.0 110.024 153.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.1 t -67.48 -28.84 43.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 C-N-CA 125.274 1.43 . . . . 0.0 108.794 165.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -32.01 -50.58 0.22 Allowed 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 128.002 2.521 . . . . 0.0 111.468 169.383 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.29 -34.85 68.62 Favored Glycine 0 C--N 1.34 0.769 0 C-N-CA 124.385 0.993 . . . . 0.0 112.209 -175.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.9 mp -86.36 19.07 2.9 Favored 'General case' 0 N--CA 1.435 -1.199 0 C-N-CA 124.883 1.273 . . . . 0.0 110.067 -171.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -149.32 14.96 0.89 Allowed 'General case' 0 C--N 1.343 0.312 0 C-N-CA 116.522 -2.071 . . . . 0.0 114.093 -160.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -133.01 74.71 73.34 Favored Pre-proline 0 N--CA 1.444 -0.759 0 C-N-CA 122.627 0.371 . . . . 0.0 110.794 172.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.79 144.48 76.59 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 123.691 2.928 . . . . 0.0 111.604 167.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.265 0 C-N-CA 123.627 0.771 . . . . 0.0 109.729 178.339 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 . . . . . 0 N--CA 1.475 0.78 0 CA-C-O 118.663 -0.684 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -57.46 -17.08 11.49 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.292 0.951 . . . . 0.0 112.179 171.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.2 m -75.27 -34.87 61.39 Favored 'General case' 0 N--CA 1.446 -0.667 0 O-C-N 121.248 -0.908 . . . . 0.0 111.489 176.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 49.0 m -67.98 -26.92 66.16 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 174.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -69.23 -59.22 3.16 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 119.031 -0.509 . . . . 0.0 110.735 170.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -73.72 -16.7 61.18 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 117.11 -1.836 . . . . 0.0 113.211 -162.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -33.1 -50.28 0.28 Allowed 'General case' 0 C--O 1.221 -0.406 0 C-N-CA 129.344 3.058 . . . . 0.0 107.112 169.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.33 36.66 1.32 Allowed 'General case' 0 N--CA 1.436 -1.129 1 C-N-CA 131.758 4.023 . . . . 0.0 114.426 -166.127 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.06 -29.61 69.98 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 114.507 -2.877 . . . . 0.0 109.397 -164.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 35.1 mt -139.46 3.32 2.11 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 127.431 2.292 . . . . 0.0 112.133 161.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 166.5 143.74 0.05 OUTLIER Pre-proline 0 CA--C 1.544 0.747 0 CA-C-O 116.074 -1.917 . . . . 0.0 108.053 -168.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -50.48 -0.88 0.04 OUTLIER 'Trans proline' 0 N--CA 1.489 1.237 1 C-N-CA 128.217 5.945 . . . . 0.0 120.6 -172.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.0 mtm180 -150.15 44.4 0.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 114.846 -2.742 . . . . 0.0 110.552 154.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 56.1 t -66.9 -31.64 54.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 114.415 -1.266 . . . . 0.0 108.263 164.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -29.4 -59.54 0.15 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 129.198 2.999 . . . . 0.0 110.974 172.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.64 -24.59 69.72 Favored Glycine 0 CA--C 1.532 1.118 0 CA-C-N 119.71 1.141 . . . . 0.0 113.466 -172.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 mt -84.14 16.43 2.96 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 125.528 1.531 . . . . 0.0 111.615 176.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -160.2 30.45 0.17 Allowed 'General case' 0 CA--C 1.511 -0.52 0 C-N-CA 115.392 -2.523 . . . . 0.0 115.543 -159.445 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -129.35 71.13 82.07 Favored Pre-proline 0 N--CA 1.442 -0.857 0 O-C-N 123.539 0.525 . . . . 0.0 110.352 164.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -45.88 122.0 4.75 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 124.54 3.493 . . . . 0.0 111.775 167.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.08 61.0 6.6 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.958 0.903 . . . . 0.0 109.648 -176.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 178.24 69.05 0.06 OUTLIER Glycine 0 CA--C 1.525 0.698 0 N-CA-C 109.701 -1.359 . . . . 0.0 109.701 -178.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.108 0 CA-C-O 117.355 -1.803 . . . . 0.0 109.862 177.856 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 N--CA 1.474 0.728 0 CA-C-O 118.654 -0.689 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 m -53.26 -25.76 15.67 Favored 'General case' 0 C--N 1.346 0.447 0 CA-C-N 119.129 0.877 . . . . 0.0 112.055 169.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.429 ' HA ' ' CD2' ' A' ' 6' ' ' HIS . 86.0 m -77.62 -34.77 53.2 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 123.911 0.884 . . . . 0.0 112.245 -178.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.2 m -67.19 -28.11 67.82 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 170.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -67.03 -63.56 1.03 Allowed 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 118.007 -0.997 . . . . 0.0 111.018 175.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.429 ' CD2' ' HA ' ' A' ' 3' ' ' THR . 0.0 OUTLIER -78.55 -9.53 59.38 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 115.313 -2.555 . . . . 0.0 113.048 -162.584 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -29.36 -40.34 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.039 0 C-N-CA 130.819 3.647 . . . . 0.0 110.562 168.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -100.26 24.46 8.73 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 126.704 2.002 . . . . 0.0 115.967 -167.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 mt -67.21 -40.09 86.39 Favored 'General case' 0 CA--C 1.517 -0.308 0 C-N-CA 115.641 -2.424 . . . . 0.0 110.263 -161.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.2 mt -140.84 -2.52 1.33 Allowed 'General case' 0 C--N 1.317 -0.838 0 C-N-CA 127.35 2.26 . . . . 0.0 112.654 164.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 168.9 144.4 0.07 OUTLIER Pre-proline 0 N--CA 1.477 0.891 0 CA-C-O 117.559 -1.21 . . . . 0.0 110.725 -165.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -36.46 -43.07 0.76 Allowed 'Trans proline' 0 C--N 1.35 0.634 1 C-N-CA 126.046 4.497 . . . . 0.0 118.395 -174.28 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -144.72 47.54 1.35 Allowed 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 114.578 -2.849 . . . . 0.0 111.875 167.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.2 p -62.75 -25.27 37.86 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-N 112.51 -2.132 . . . . 0.0 108.642 150.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -41.72 75.27 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 126.812 2.045 . . . . 0.0 110.086 -167.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.28 -32.76 64.14 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 124.341 0.972 . . . . 0.0 112.881 175.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 mt -81.52 21.68 0.77 Allowed 'General case' 0 C--N 1.34 0.178 0 C-N-CA 125.966 1.707 . . . . 0.0 112.284 174.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -146.46 25.8 1.19 Allowed 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 116.684 -2.006 . . . . 0.0 112.371 -164.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -133.2 73.96 73.57 Favored Pre-proline 0 N--CA 1.441 -0.889 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 168.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -49.74 127.24 18.33 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.928 3.085 . . . . 0.0 112.244 175.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.36 62.25 7.37 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 124.27 1.028 . . . . 0.0 109.411 -178.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -162.91 69.24 0.22 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.271 0 CA-C-O 117.546 -1.697 . . . . 0.0 110.079 179.633 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 . . . . . 0 N--CA 1.474 0.752 0 CA-C-O 118.813 -0.613 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -58.34 -30.45 66.73 Favored 'General case' 0 C--N 1.347 0.481 0 CA-C-N 119.143 0.883 . . . . 0.0 112.387 -178.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.6 t -84.49 -35.59 22.83 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 118.458 0.572 . . . . 0.0 111.142 -173.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.2 m -64.7 -31.46 72.7 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 170.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -66.36 -59.4 3.73 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 118.764 -0.636 . . . . 0.0 110.789 174.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -77.68 -11.57 59.88 Favored 'General case' 0 C--O 1.221 -0.397 0 C-N-CA 116.086 -2.246 . . . . 0.0 113.098 -162.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.9 -39.25 1.77 Allowed 'General case' 0 C--O 1.212 -0.907 0 C-N-CA 128.046 2.538 . . . . 0.0 108.456 169.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -100.28 31.97 3.19 Favored 'General case' 0 N--CA 1.441 -0.911 0 C-N-CA 128.888 2.875 . . . . 0.0 114.691 -166.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.42 -42.82 92.1 Favored 'General case' 0 CA--C 1.519 -0.245 0 C-N-CA 114.684 -2.806 . . . . 0.0 109.231 -162.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 46.0 mt -141.57 3.52 1.69 Allowed 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 128.482 2.713 . . . . 0.0 111.97 165.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.5 t70 171.74 136.86 0.09 OUTLIER Pre-proline 0 N--CA 1.474 0.773 0 CA-C-O 116.215 -1.85 . . . . 0.0 110.75 -163.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -32.21 -36.88 0.06 OUTLIER 'Trans proline' 0 C--N 1.351 0.69 1 C-N-CA 126.796 4.997 . . . . 0.0 117.51 177.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -147.72 49.2 1.08 Allowed 'General case' 0 C--N 1.34 0.174 0 C-N-CA 112.361 -3.736 . . . . 0.0 113.654 162.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.2 p -66.5 -26.27 37.18 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-N 114.937 -1.029 . . . . 0.0 108.587 154.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -33.79 -46.15 0.21 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 129.382 3.073 . . . . 0.0 112.041 177.023 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.13 -34.42 87.96 Favored Glycine 0 CA--C 1.541 1.703 0 CA-C-N 119.674 1.124 . . . . 0.0 113.124 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mt -76.01 21.04 0.17 Allowed 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 127.586 2.354 . . . . 0.0 112.396 170.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -146.62 24.59 1.22 Allowed 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 116.702 -1.999 . . . . 0.0 112.785 -162.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -131.17 72.32 81.49 Favored Pre-proline 0 N--CA 1.441 -0.917 0 O-C-N 123.7 0.625 . . . . 0.0 110.269 169.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -46.27 125.91 9.34 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 124.331 3.354 . . . . 0.0 111.864 168.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.43 61.14 6.65 Favored 'General case' 0 C--N 1.339 0.139 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.57 45.76 92.8 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 -169.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.132 0 CA-C-O 117.078 -1.957 . . . . 0.0 109.463 -171.1 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 30.4 t-20 . . . . . 0 N--CA 1.475 0.823 0 CA-C-O 118.341 -0.838 . . . . 0.0 109.634 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.1 p -47.94 -32.83 6.87 Favored 'General case' 0 C--N 1.347 0.496 0 CA-C-N 119.789 1.177 . . . . 0.0 112.463 170.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 61.0 m -80.53 -34.89 35.19 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 123.843 0.857 . . . . 0.0 111.699 -177.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.9 m -63.41 -32.92 74.49 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 170.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -68.5 -58.72 3.89 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 119.045 -0.502 . . . . 0.0 111.344 176.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -73.91 -25.47 60.01 Favored 'General case' 0 CA--C 1.513 -0.453 0 C-N-CA 117.014 -1.874 . . . . 0.0 112.8 -163.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -36.83 -41.03 0.3 Allowed 'General case' 0 C--O 1.212 -0.903 0 C-N-CA 128.969 2.908 . . . . 0.0 108.067 174.062 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.8 21.79 7.11 Favored 'General case' 0 N--CA 1.439 -0.978 0 C-N-CA 129.375 3.07 . . . . 0.0 116.006 -164.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -44.92 92.6 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 116.811 -1.956 . . . . 0.0 110.638 -163.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 46.4 mt -141.98 0.13 1.36 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 111.807 -2.451 . . . . 0.0 112.497 167.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.1 t70 167.92 134.57 0.04 OUTLIER Pre-proline 0 N--CA 1.476 0.868 0 CA-C-O 116.431 -1.747 . . . . 0.0 110.56 -161.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -33.45 -35.18 0.07 OUTLIER 'Trans proline' 0 CA--C 1.513 -0.549 1 C-N-CA 126.528 4.819 . . . . 0.0 118.178 -178.174 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -145.01 47.65 1.32 Allowed 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 113.294 -3.363 . . . . 0.0 113.414 166.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.7 p -65.84 -25.96 37.52 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 CA-C-N 114.061 -1.427 . . . . 0.0 108.902 154.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.5 -43.42 1.84 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 128.631 2.773 . . . . 0.0 110.908 -179.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.8 -37.22 76.31 Favored Glycine 0 CA--C 1.538 1.525 0 C-N-CA 124.699 1.142 . . . . 0.0 113.449 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mt -79.79 19.1 0.7 Allowed 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 127.726 2.41 . . . . 0.0 112.692 177.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -145.83 19.74 1.46 Allowed 'General case' 0 CA--C 1.513 -0.46 0 C-N-CA 114.992 -2.683 . . . . 0.0 114.113 -157.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -133.55 71.38 75.59 Favored Pre-proline 0 N--CA 1.438 -1.072 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.851 170.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_exo -46.36 110.06 0.25 Allowed 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 124.726 3.617 . . . . 0.0 112.478 173.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.23 60.68 6.38 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 124.154 0.982 . . . . 0.0 109.452 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 176.25 68.69 0.06 OUTLIER Glycine 0 CA--C 1.525 0.705 0 N-CA-C 109.804 -1.318 . . . . 0.0 109.804 -177.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.176 0 CA-C-O 116.996 -2.002 . . . . 0.0 109.901 177.405 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 . . . . . 0 CA--C 1.546 0.789 0 CA-C-O 118.736 -0.65 . . . . 0.0 109.248 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.4 m -66.6 -10.19 43.04 Favored 'General case' 0 C--N 1.348 0.524 0 CA-C-N 120.344 1.429 . . . . 0.0 112.753 -175.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.4 m -81.52 -35.14 30.71 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 119.438 1.017 . . . . 0.0 111.794 -175.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 89.7 m -65.71 -28.68 69.23 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 172.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -68.98 -61.04 1.96 Allowed 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 119.268 -0.396 . . . . 0.0 110.955 173.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -77.34 -17.39 58.3 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 118.011 -1.475 . . . . 0.0 113.269 -162.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -32.01 -50.63 0.22 Allowed 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 129.006 2.922 . . . . 0.0 107.377 171.491 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.85 35.74 1.23 Allowed 'General case' 0 N--CA 1.435 -1.179 1 C-N-CA 132.124 4.169 . . . . 0.0 114.281 -165.607 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.91 -25.85 67.34 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 114.847 -2.741 . . . . 0.0 109.35 -165.072 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.4 mt -140.57 0.77 1.68 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 127.896 2.478 . . . . 0.0 112.38 158.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 166.68 148.09 0.06 OUTLIER Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 126.455 1.902 . . . . 0.0 108.703 -168.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -61.26 8.98 0.08 OUTLIER 'Trans proline' 0 N--CA 1.485 0.996 1 C-N-CA 125.896 4.397 . . . . 0.0 119.45 -163.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.0 mtp180 -151.23 41.47 0.73 Allowed 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 123.392 2.814 . . . . 0.0 109.331 151.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.1 t -67.06 -30.63 50.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 C-N-CA 125.01 1.324 . . . . 0.0 108.39 166.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -29.94 -49.09 0.1 Allowed 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 128.051 2.541 . . . . 0.0 111.056 168.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.63 -34.95 88.29 Favored Glycine 0 CA--C 1.53 1.031 0 C-N-CA 123.888 0.756 . . . . 0.0 112.323 -174.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.9 mp -86.67 16.54 4.63 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 125.021 1.328 . . . . 0.0 110.859 -175.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -145.38 16.9 1.51 Allowed 'General case' 0 CA--C 1.517 -0.318 0 C-N-CA 116.361 -2.136 . . . . 0.0 113.635 -159.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -132.95 71.8 77.57 Favored Pre-proline 0 N--CA 1.44 -0.946 0 C-N-CA 123.061 0.544 . . . . 0.0 109.828 169.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -54.68 135.25 66.41 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.498 2.799 . . . . 0.0 111.974 175.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.36 63.02 7.85 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.709 0.803 . . . . 0.0 109.418 177.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.91 -58.77 7.76 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 179.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.263 0 CA-C-O 117.121 -1.933 . . . . 0.0 109.865 174.49 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 . . . . . 0 CA--C 1.548 0.882 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.5 m -64.99 -11.26 36.81 Favored 'General case' 0 C--N 1.347 0.485 0 CA-C-N 119.964 1.257 . . . . 0.0 113.737 -169.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.2 t -81.67 -33.19 31.42 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 119.483 1.038 . . . . 0.0 111.133 -177.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 77.4 m -66.7 -27.01 67.3 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 169.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -68.74 -59.09 3.34 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 118.784 -0.627 . . . . 0.0 110.47 173.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -78.75 -11.53 59.99 Favored 'General case' 0 C--O 1.225 -0.228 0 C-N-CA 116.008 -2.277 . . . . 0.0 113.074 -162.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.14 -44.62 1.85 Allowed 'General case' 0 C--O 1.216 -0.693 0 C-N-CA 127.935 2.494 . . . . 0.0 107.13 169.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.32 31.25 2.0 Allowed 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 129.175 2.99 . . . . 0.0 114.485 -164.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.62 -44.28 82.46 Favored 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 114.977 -2.689 . . . . 0.0 108.694 -163.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.7 mt -134.33 -5.39 2.63 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 111.454 -2.612 . . . . 0.0 113.077 166.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 168.52 137.6 0.05 OUTLIER Pre-proline 0 N--CA 1.472 0.665 0 CA-C-O 116.746 -1.597 . . . . 0.0 110.347 -163.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -31.9 -39.65 0.08 OUTLIER 'Trans proline' 0 C--N 1.349 0.594 1 C-N-CA 127.331 5.354 . . . . 0.0 118.544 -175.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.06 50.71 1.41 Allowed 'General case' 0 C--N 1.338 0.083 0 C-N-CA 113.176 -3.41 . . . . 0.0 113.101 166.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.5 p -69.9 -25.38 27.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-N 113.257 -1.792 . . . . 0.0 108.909 153.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.39 -44.66 0.93 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 129.385 3.074 . . . . 0.0 111.746 -178.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.7 -40.43 79.58 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 124.763 1.173 . . . . 0.0 112.997 178.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 mt -74.24 20.92 0.1 Allowed 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 127.826 2.451 . . . . 0.0 112.534 171.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -146.87 25.26 1.16 Allowed 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 116.723 -1.991 . . . . 0.0 112.676 -163.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -131.33 72.62 80.87 Favored Pre-proline 0 N--CA 1.441 -0.905 0 O-C-N 123.747 0.654 . . . . 0.0 110.224 168.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -52.08 121.66 9.22 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 123.735 2.957 . . . . 0.0 111.698 172.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.34 62.43 7.48 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.026 0.93 . . . . 0.0 109.209 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -81.25 59.49 4.78 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 125.265 1.412 . . . . 0.0 109.957 179.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.149 0 CA-C-O 116.988 -2.006 . . . . 0.0 109.428 -174.214 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 N--CA 1.475 0.779 0 CA-C-O 118.689 -0.672 . . . . 0.0 110.361 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.2 p -52.83 -24.77 9.67 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 119.079 0.854 . . . . 0.0 112.248 168.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 65.5 m -78.85 -46.49 18.51 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 124.423 1.089 . . . . 0.0 111.995 -177.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 55.8 m -59.73 -31.98 70.12 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 173.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -67.45 -53.28 30.36 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 118.995 -0.526 . . . . 0.0 111.868 176.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.409 ' C ' ' H ' ' A' ' 8' ' ' ALA . 1.5 p-80 -73.93 -17.86 60.97 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 117.561 -1.656 . . . . 0.0 112.653 -165.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -51.38 -11.49 0.12 Allowed 'General case' 0 CA--C 1.552 1.047 1 C-N-CA 132.076 4.15 . . . . 0.0 111.234 170.268 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.409 ' H ' ' C ' ' A' ' 6' ' ' HIS . . . -115.84 15.96 16.3 Favored 'General case' 0 CA--C 1.499 -1.01 0 N-CA-C 118.998 2.962 . . . . 0.0 118.998 -175.508 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -52.2 43.91 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 116.551 -2.06 . . . . 0.0 109.031 -162.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 95.5 mt -138.75 3.53 2.27 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 129.081 2.952 . . . . 0.0 111.561 165.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 21.0 t70 173.68 159.82 0.31 Allowed Pre-proline 0 N--CA 1.475 0.802 0 C-N-CA 123.891 0.877 . . . . 0.0 110.718 -162.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -55.25 -33.56 85.14 Favored 'Trans proline' 0 CA--C 1.498 -1.314 0 C-N-CA 124.199 3.266 . . . . 0.0 118.194 170.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.84 53.51 0.71 Allowed 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 112.041 -3.863 . . . . 0.0 112.385 166.279 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.6 p -63.05 -28.6 45.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 110.728 -2.942 . . . . 0.0 108.323 149.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.1 ppt_? -40.56 -40.51 1.27 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 128.979 2.912 . . . . 0.0 112.417 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.43 -30.56 61.91 Favored Glycine 0 CA--C 1.541 1.714 0 CA-C-N 119.744 1.157 . . . . 0.0 113.254 179.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 mt -88.34 17.83 4.93 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 127.71 2.404 . . . . 0.0 112.588 177.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -145.72 22.42 1.44 Allowed 'General case' 0 CA--C 1.513 -0.479 0 C-N-CA 114.584 -2.847 . . . . 0.0 114.451 -155.14 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -135.19 72.5 66.43 Favored Pre-proline 0 N--CA 1.439 -0.997 0 O-C-N 123.619 0.574 . . . . 0.0 109.873 168.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -51.52 114.49 1.6 Allowed 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 123.819 3.013 . . . . 0.0 112.04 175.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.27 60.23 6.11 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.037 0.935 . . . . 0.0 109.598 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 168.92 64.54 0.03 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 109.881 -1.288 . . . . 0.0 109.881 -178.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.17 0 CA-C-O 116.843 -2.087 . . . . 0.0 110.02 -179.76 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 . . . . . 0 N--CA 1.474 0.755 0 CA-C-O 118.228 -0.891 . . . . 0.0 109.862 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.9 t -51.22 -34.87 34.07 Favored 'General case' 0 C--N 1.349 0.58 0 CA-C-N 119.817 1.19 . . . . 0.0 111.781 173.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.3 m -60.48 -24.01 64.94 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.098 1.359 . . . . 0.0 113.193 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 54.3 m -62.25 -27.28 68.89 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 118.826 0.739 . . . . 0.0 109.691 174.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -67.38 -58.31 5.02 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-O 119.131 -0.461 . . . . 0.0 110.842 175.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -79.45 -11.94 59.9 Favored 'General case' 0 C--O 1.223 -0.322 0 C-N-CA 116.324 -2.151 . . . . 0.0 113.099 -162.417 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.62 -39.48 2.37 Favored 'General case' 0 C--O 1.212 -0.91 0 C-N-CA 128.066 2.546 . . . . 0.0 108.297 169.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.44 31.35 3.17 Favored 'General case' 0 N--CA 1.441 -0.909 0 C-N-CA 129.087 2.955 . . . . 0.0 114.665 -166.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.51 -42.85 91.6 Favored 'General case' 0 CA--C 1.52 -0.191 0 C-N-CA 114.802 -2.759 . . . . 0.0 109.133 -162.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 46.5 mt -141.38 2.65 1.67 Allowed 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 128.3 2.64 . . . . 0.0 112.173 165.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.3 t70 171.96 136.22 0.09 OUTLIER Pre-proline 0 N--CA 1.475 0.811 0 CA-C-O 116.134 -1.889 . . . . 0.0 110.717 -163.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -33.65 -34.25 0.07 OUTLIER 'Trans proline' 0 C--N 1.351 0.697 1 C-N-CA 126.85 5.033 . . . . 0.0 117.725 178.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -147.41 48.75 1.1 Allowed 'General case' 0 C--N 1.339 0.14 0 C-N-CA 112.414 -3.714 . . . . 0.0 113.589 162.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.9 p -67.17 -27.58 39.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-N 115.103 -0.953 . . . . 0.0 108.617 155.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -32.04 -47.03 0.13 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 129.447 3.099 . . . . 0.0 112.061 176.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.75 -40.14 92.39 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 124.856 1.217 . . . . 0.0 112.847 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 mt -73.2 20.98 0.08 Allowed 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 127.743 2.417 . . . . 0.0 112.742 170.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -145.62 25.36 1.33 Allowed 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 116.848 -1.941 . . . . 0.0 112.375 -164.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -133.74 71.96 74.02 Favored Pre-proline 0 N--CA 1.441 -0.896 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.158 168.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -50.48 159.32 2.16 Favored 'Trans proline' 0 CA--C 1.533 0.464 0 C-N-CA 124.461 3.441 . . . . 0.0 113.152 169.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.94 60.84 6.06 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.056 0.942 . . . . 0.0 109.818 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 170.72 -59.53 0.18 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.245 -1.142 . . . . 0.0 110.245 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.195 0 CA-C-O 117.333 -1.815 . . . . 0.0 109.035 178.684 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 . . . . . 0 N--CA 1.474 0.732 0 CA-C-O 118.812 -0.613 . . . . 0.0 109.853 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.5 t -57.0 -39.62 75.03 Favored 'General case' 0 C--N 1.346 0.455 0 CA-C-N 119.183 0.902 . . . . 0.0 112.186 -177.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.7 t -74.86 -28.1 60.53 Favored 'General case' 0 C--N 1.333 -0.14 0 O-C-N 121.781 -0.574 . . . . 0.0 111.979 -174.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.1 m -66.98 -22.5 65.92 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 174.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -72.44 -54.57 8.96 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 118.306 0.503 . . . . 0.0 110.92 173.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -76.55 -10.2 59.22 Favored 'General case' 0 C--O 1.224 -0.284 0 C-N-CA 116.683 -2.007 . . . . 0.0 113.682 -162.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -36.29 -47.41 0.59 Allowed 'General case' 0 N--CA 1.438 -1.029 1 C-N-CA 132.03 4.132 . . . . 0.0 107.833 163.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -101.58 39.54 1.43 Allowed 'General case' 0 CA--C 1.503 -0.839 0 C-N-CA 130.875 3.67 . . . . 0.0 115.712 -166.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.0 -31.0 72.03 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 114.147 -3.021 . . . . 0.0 110.063 -164.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.7 mt -138.44 1.14 2.14 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.98 2.112 . . . . 0.0 112.222 161.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 168.03 151.58 0.11 Allowed Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 125.906 1.682 . . . . 0.0 108.393 -169.027 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -52.28 -14.14 2.62 Favored 'Trans proline' 0 CA--C 1.505 -0.973 1 C-N-CA 126.457 4.771 . . . . 0.0 120.566 -169.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.9 mtm105 -144.68 47.54 1.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 112.546 -3.662 . . . . 0.0 111.018 156.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.5 t -67.35 -22.54 29.03 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.827 0 CA-C-N 112.161 -2.291 . . . . 0.0 107.599 156.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -44.18 -43.81 7.35 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.71 1.604 . . . . 0.0 110.628 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.65 -36.35 39.76 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 125.109 1.337 . . . . 0.0 113.433 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.8 mp -86.72 12.3 11.07 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 125.578 1.551 . . . . 0.0 110.83 -172.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -141.38 23.16 2.17 Favored 'General case' 0 CA--C 1.511 -0.529 0 C-N-CA 116.353 -2.139 . . . . 0.0 113.203 -155.05 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -134.01 73.52 70.41 Favored Pre-proline 0 N--CA 1.438 -1.042 0 O-C-N 123.499 0.5 . . . . 0.0 110.228 169.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -50.59 132.85 36.98 Favored 'Trans proline' 0 N--CA 1.456 -0.717 0 C-N-CA 123.721 2.947 . . . . 0.0 111.503 170.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.33 62.21 7.05 Favored 'General case' 0 C--N 1.339 0.118 0 C-N-CA 124.015 0.926 . . . . 0.0 108.849 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.94 50.39 66.14 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 108.525 -1.83 . . . . 0.0 108.525 -169.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.213 0 CA-C-O 117.172 -1.905 . . . . 0.0 109.418 -169.677 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 . . . . . 0 CA--C 1.55 0.95 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.1 t -66.51 -4.62 8.83 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-N 120.086 1.312 . . . . 0.0 112.924 -172.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.9 t -85.49 -28.17 25.17 Favored 'General case' 0 N--CA 1.452 -0.339 0 O-C-N 121.305 -0.872 . . . . 0.0 111.836 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.2 m -63.46 -33.88 76.54 Favored 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 168.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -65.35 -60.94 2.44 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 118.84 -0.6 . . . . 0.0 110.871 178.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -76.21 -21.67 56.17 Favored 'General case' 0 CA--C 1.514 -0.408 0 C-N-CA 116.727 -1.989 . . . . 0.0 113.195 -163.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -32.59 -43.03 0.08 Allowed 'General case' 0 C--O 1.211 -0.938 0 C-N-CA 129.255 3.022 . . . . 0.0 109.4 172.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -98.96 28.62 4.26 Favored 'General case' 0 N--CA 1.434 -1.258 0 C-N-CA 130.322 3.449 . . . . 0.0 114.83 -165.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.02 -46.81 82.8 Favored 'General case' 0 CA--C 1.521 -0.136 0 C-N-CA 115.679 -2.408 . . . . 0.0 108.508 -160.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.1 mp -133.75 -4.46 2.87 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 129.455 3.102 . . . . 0.0 112.811 163.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.7 t70 178.32 135.45 0.23 Allowed Pre-proline 0 N--CA 1.471 0.618 0 CA-C-O 116.304 -1.808 . . . . 0.0 110.95 -162.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -36.15 -32.52 0.11 Allowed 'Trans proline' 0 C--N 1.348 0.517 1 C-N-CA 126.149 4.566 . . . . 0.0 117.473 -178.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -147.04 49.44 1.12 Allowed 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 112.671 -3.612 . . . . 0.0 113.871 161.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.1 p -65.34 -31.78 55.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 155.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -32.89 -48.67 0.21 Allowed 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 127.547 2.339 . . . . 0.0 110.556 173.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.74 -18.82 77.66 Favored Glycine 0 CA--C 1.529 0.912 0 C-N-CA 124.856 1.217 . . . . 0.0 113.496 -169.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.445 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -89.77 3.85 51.53 Favored 'General case' 0 N--CA 1.434 -1.259 0 CA-C-N 119.284 1.542 . . . . 0.0 109.267 -178.009 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -147.8 36.76 0.87 Allowed 'General case' 0 CA--C 1.507 -0.694 0 N-CA-C 116.477 2.029 . . . . 0.0 116.477 -144.187 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -128.27 72.77 79.98 Favored Pre-proline 0 N--CA 1.442 -0.845 0 C-N-CA 120.026 -0.67 . . . . 0.0 110.241 163.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -48.85 127.99 17.95 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 123.872 3.048 . . . . 0.0 112.117 171.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.29 62.95 7.81 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 124.402 1.081 . . . . 0.0 109.294 -178.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -81.2 59.79 4.75 Favored Glycine 0 CA--C 1.527 0.812 0 C-N-CA 125.281 1.419 . . . . 0.0 109.986 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.292 0 CA-C-O 117.125 -1.93 . . . . 0.0 110.056 -176.006 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 12.3 p30 . . . . . 0 CA--C 1.546 0.809 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.9 p -69.33 -3.33 13.64 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.347 1.059 . . . . 0.0 113.822 -171.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.2 t -86.38 -24.46 25.77 Favored 'General case' 0 N--CA 1.456 -0.125 0 CA-C-N 119.269 0.941 . . . . 0.0 111.521 177.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 51.6 m -64.59 -26.8 68.56 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 169.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -68.37 -58.95 3.57 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 119.071 -0.49 . . . . 0.0 110.951 176.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -74.54 -16.07 60.84 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 116.929 -1.908 . . . . 0.0 112.988 -164.088 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -37.02 -37.12 0.14 Allowed 'General case' 0 N--CA 1.435 -1.198 0 C-N-CA 129.897 3.279 . . . . 0.0 109.185 165.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -100.62 30.68 3.83 Favored 'General case' 0 CA--C 1.505 -0.773 0 C-N-CA 126.851 2.061 . . . . 0.0 114.391 -170.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.58 -45.31 65.6 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 115.544 -2.463 . . . . 0.0 109.449 -160.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 98.6 mt -139.92 3.47 2.02 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 128.373 2.669 . . . . 0.0 112.448 167.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.5 t70 166.71 139.65 0.04 OUTLIER Pre-proline 0 N--CA 1.478 0.952 0 CA-C-O 116.628 -1.653 . . . . 0.0 110.249 -162.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_exo -31.42 -44.0 0.14 Allowed 'Trans proline' 0 C--N 1.349 0.585 1 C-N-CA 125.671 4.248 . . . . 0.0 117.13 173.478 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.92 54.03 1.22 Allowed 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 113.107 -3.437 . . . . 0.0 113.071 166.242 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.7 p -65.89 -32.89 60.17 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 CA-C-N 113.795 -1.548 . . . . 0.0 107.982 152.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -32.39 -52.48 0.29 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 130.281 3.432 . . . . 0.0 110.758 -179.325 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.89 -38.25 83.14 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 125.029 1.3 . . . . 0.0 113.397 -176.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 mt -80.65 17.1 1.19 Allowed 'General case' 0 CA--C 1.519 -0.221 0 C-N-CA 126.57 1.948 . . . . 0.0 112.237 178.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -143.13 25.02 1.77 Allowed 'General case' 0 CA--C 1.518 -0.255 0 C-N-CA 116.182 -2.207 . . . . 0.0 112.382 -159.428 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -133.03 75.43 71.97 Favored Pre-proline 0 N--CA 1.445 -0.706 0 C-N-CA 123.706 0.802 . . . . 0.0 109.784 172.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -49.18 144.48 16.7 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 124.413 3.409 . . . . 0.0 112.657 171.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.1 62.25 7.38 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.789 0.836 . . . . 0.0 109.572 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.03 -73.68 0.13 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 108.848 -1.701 . . . . 0.0 108.848 178.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.245 0 CA-C-O 117.572 -1.682 . . . . 0.0 110.194 176.506 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 . . . . . 0 N--CA 1.474 0.747 0 CA-C-O 118.724 -0.655 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.3 m -55.58 -21.11 15.77 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 119.271 0.941 . . . . 0.0 112.302 170.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 54.4 m -72.18 -34.47 68.45 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 123.3 0.64 . . . . 0.0 111.513 177.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 51.0 m -66.28 -25.75 67.01 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 173.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -74.13 -57.43 3.97 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 118.771 -0.633 . . . . 0.0 110.819 173.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -78.54 -8.47 58.61 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 116.601 -2.04 . . . . 0.0 113.307 -163.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.02 -50.27 1.78 Allowed 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 129.951 3.3 . . . . 0.0 106.402 166.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -97.05 38.57 1.23 Allowed 'General case' 0 N--CA 1.437 -1.096 0 C-N-CA 131.501 3.921 . . . . 0.0 115.281 -163.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.48 -28.12 68.98 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 113.968 -3.093 . . . . 0.0 109.166 -167.031 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.2 mt -139.04 0.02 1.91 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 127.253 2.221 . . . . 0.0 112.534 161.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 168.19 145.36 0.07 OUTLIER Pre-proline 0 CA--C 1.548 0.893 0 CA-C-O 116.258 -1.83 . . . . 0.0 108.748 -169.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -48.67 -4.85 0.04 OUTLIER 'Trans proline' 0 N--CA 1.486 1.066 1 C-N-CA 128.102 5.868 . . . . 0.0 120.871 -170.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.3 mtm105 -147.06 41.6 1.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 114.204 -2.998 . . . . 0.0 110.947 156.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 70.7 t -70.74 -25.3 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 CA-C-N 113.544 -1.662 . . . . 0.0 108.543 163.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -31.4 -45.37 0.08 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 127.279 2.232 . . . . 0.0 111.456 169.684 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.27 -39.16 81.29 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 125.047 1.308 . . . . 0.0 112.827 -178.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.7 mp -81.9 12.65 3.87 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 126.122 1.769 . . . . 0.0 111.101 -175.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -142.67 17.68 2.0 Favored 'General case' 0 CA--C 1.511 -0.53 0 C-N-CA 116.112 -2.235 . . . . 0.0 113.777 -155.011 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -131.04 71.11 82.52 Favored Pre-proline 0 N--CA 1.439 -1.016 0 O-C-N 123.632 0.583 . . . . 0.0 110.524 169.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -48.63 142.89 17.41 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 124.33 3.354 . . . . 0.0 112.142 167.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.24 61.14 6.37 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.699 0.8 . . . . 0.0 109.594 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.02 -59.96 4.07 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 116.911 -2.049 . . . . 0.0 110.101 -179.631 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 . . . . . 0 N--CA 1.473 0.702 0 CA-C-O 118.877 -0.583 . . . . 0.0 110.05 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.5 t -56.39 -43.85 79.65 Favored 'General case' 0 C--N 1.346 0.45 0 CA-C-N 119.043 0.838 . . . . 0.0 111.941 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.7 t -67.22 -13.38 61.91 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 125.263 1.425 . . . . 0.0 113.66 -169.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 46.0 m -55.83 -26.67 47.73 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 169.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -63.23 -64.77 0.81 Allowed 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 123.614 0.766 . . . . 0.0 111.614 177.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.415 ' C ' ' H ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -79.54 -14.45 58.85 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 117.988 -1.485 . . . . 0.0 112.83 -163.262 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.38 -22.25 0.01 OUTLIER 'General case' 0 C--O 1.214 -0.777 0 C-N-CA 130.53 3.532 . . . . 0.0 112.877 169.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.415 ' H ' ' C ' ' A' ' 6' ' ' HIS . . . -110.6 24.56 12.81 Favored 'General case' 0 CA--C 1.504 -0.823 0 C-N-CA 127.285 2.234 . . . . 0.0 115.531 -175.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 mt -66.81 -49.99 64.05 Favored 'General case' 0 CA--C 1.513 -0.465 0 C-N-CA 115.403 -2.519 . . . . 0.0 109.066 -159.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 mp -131.47 0.13 4.02 Favored 'General case' 0 C--N 1.315 -0.898 0 C-N-CA 127.671 2.388 . . . . 0.0 111.74 166.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.2 t70 171.86 158.61 0.24 Allowed Pre-proline 0 N--CA 1.479 1.015 0 C-N-CA 124.999 1.32 . . . . 0.0 110.128 -164.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER -29.84 -63.0 0.1 OUTLIER 'Trans proline' 0 C--N 1.351 0.692 1 C-N-CA 126.525 4.817 . . . . 0.0 117.182 162.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.43 46.21 1.3 Allowed 'General case' 0 CA--C 1.52 -0.212 0 C-N-CA 114.987 -2.685 . . . . 0.0 112.749 176.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.4 p -60.32 -32.66 51.43 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.371 0 CA-C-N 111.534 -2.575 . . . . 0.0 106.938 145.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.42 -38.64 6.2 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 127.204 2.202 . . . . 0.0 110.039 -176.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.29 -36.8 91.83 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 124.226 0.917 . . . . 0.0 112.471 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.9 mp -84.95 8.89 16.04 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 125.148 1.379 . . . . 0.0 110.341 -175.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -130.06 24.67 5.27 Favored 'General case' 0 CA--C 1.517 -0.321 0 C-N-CA 117.73 -1.588 . . . . 0.0 111.833 -154.002 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -131.7 70.87 81.18 Favored Pre-proline 0 N--CA 1.438 -1.031 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.83 169.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -47.41 132.4 19.64 Favored 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 124.349 3.366 . . . . 0.0 112.122 170.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.8 61.29 6.26 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.832 0.853 . . . . 0.0 109.218 178.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 176.05 64.96 0.06 OUTLIER Glycine 0 CA--C 1.525 0.706 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 -177.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.196 0 CA-C-O 117.635 -1.647 . . . . 0.0 110.135 -179.193 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 . . . . . 0 CA--C 1.547 0.83 0 CA-C-O 118.648 -0.691 . . . . 0.0 109.192 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.8 m -64.4 -11.93 37.88 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-N 120.365 1.439 . . . . 0.0 112.894 -174.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 59.1 m -81.51 -40.21 23.55 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 119.174 0.897 . . . . 0.0 111.898 -173.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 93.4 m -63.66 -30.95 71.99 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 172.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -66.19 -60.0 3.22 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-O 119.109 -0.472 . . . . 0.0 111.058 173.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -76.85 -15.1 59.81 Favored 'General case' 0 CA--C 1.515 -0.383 0 C-N-CA 117.302 -1.759 . . . . 0.0 113.37 -162.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -36.44 -49.17 0.71 Allowed 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 128.414 2.686 . . . . 0.0 107.435 172.391 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.89 34.6 1.51 Allowed 'General case' 0 N--CA 1.437 -1.119 1 C-N-CA 131.891 4.076 . . . . 0.0 114.482 -165.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.58 -31.02 71.84 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 114.79 -2.764 . . . . 0.0 109.638 -163.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 97.6 mt -136.15 0.68 2.62 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 127.166 2.187 . . . . 0.0 112.448 161.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 166.88 146.58 0.05 OUTLIER Pre-proline 0 CA--C 1.544 0.748 0 CA-C-O 116.207 -1.854 . . . . 0.0 108.596 -167.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -63.92 14.1 0.08 OUTLIER 'Trans proline' 0 N--CA 1.483 0.854 1 C-N-CA 125.574 4.182 . . . . 0.0 118.837 -165.415 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 46.2 mtp180 -153.82 43.94 0.57 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 122.423 2.374 . . . . 0.0 109.032 149.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.9 t -67.13 -32.05 55.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 166.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -27.54 -60.76 0.1 Allowed 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 129.522 3.129 . . . . 0.0 110.877 171.156 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.45 -25.17 68.37 Favored Glycine 0 CA--C 1.533 1.213 0 CA-C-N 119.913 1.233 . . . . 0.0 113.561 -172.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 mt -85.73 13.96 6.49 Favored 'General case' 0 CA--C 1.514 -0.43 0 C-N-CA 125.932 1.693 . . . . 0.0 111.6 176.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -160.08 36.25 0.18 Allowed 'General case' 0 CA--C 1.508 -0.651 0 C-N-CA 115.462 -2.495 . . . . 0.0 115.631 -158.232 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -129.74 72.23 81.98 Favored Pre-proline 0 N--CA 1.441 -0.88 0 O-C-N 123.78 0.675 . . . . 0.0 110.323 162.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -50.71 130.74 31.4 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 123.827 3.018 . . . . 0.0 112.187 171.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.82 62.63 7.54 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.877 0.871 . . . . 0.0 109.476 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.14 -59.38 7.48 Favored Glycine 0 CA--C 1.528 0.891 0 N-CA-C 109.894 -1.282 . . . . 0.0 109.894 -179.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.106 0 CA-C-O 117.382 -1.788 . . . . 0.0 110.168 -177.873 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 17.9 m120 . . . . . 0 N--CA 1.479 1.012 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.0 m -56.3 -16.63 5.83 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 119.085 -0.483 . . . . 0.0 112.06 169.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.9 t -90.97 -38.3 12.94 Favored 'General case' 0 C--N 1.342 0.278 0 C-N-CA 123.802 0.841 . . . . 0.0 111.541 176.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.0 m -58.89 -31.92 69.03 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 172.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -59.12 -54.99 40.74 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 123.987 0.915 . . . . 0.0 111.917 174.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -74.96 -23.02 58.23 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 117.988 -1.485 . . . . 0.0 112.8 -164.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -50.16 -11.35 0.07 Allowed 'General case' 0 CA--C 1.549 0.94 1 C-N-CA 132.004 4.122 . . . . 0.0 111.289 169.57 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -113.17 18.26 18.07 Favored 'General case' 0 CA--C 1.503 -0.836 0 N-CA-C 117.847 2.536 . . . . 0.0 117.847 -178.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -50.49 62.13 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 116.694 -2.002 . . . . 0.0 109.7 -162.403 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 35.4 mt -142.36 4.37 1.58 Allowed 'General case' 0 C--N 1.313 -0.999 0 C-N-CA 129.025 2.93 . . . . 0.0 111.517 166.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.0 t70 175.33 159.07 0.39 Allowed Pre-proline 0 N--CA 1.478 0.967 0 C-N-CA 123.079 0.552 . . . . 0.0 110.777 -163.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -50.11 -38.62 50.56 Favored 'Trans proline' 0 CA--C 1.503 -1.047 0 C-N-CA 124.49 3.46 . . . . 0.0 117.747 169.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.54 48.43 0.81 Allowed 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 113.054 -3.458 . . . . 0.0 112.706 168.415 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.3 p -59.36 -29.19 41.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-N 112.224 -2.262 . . . . 0.0 108.177 150.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -39.73 -43.52 1.41 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 128.708 2.803 . . . . 0.0 111.321 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.52 -36.79 64.95 Favored Glycine 0 CA--C 1.539 1.543 0 CA-C-N 119.611 1.096 . . . . 0.0 113.536 179.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 mt -81.94 19.08 1.17 Allowed 'General case' 0 CA--C 1.516 -0.335 0 C-N-CA 127.64 2.376 . . . . 0.0 112.589 177.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -146.1 20.95 1.41 Allowed 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 114.947 -2.701 . . . . 0.0 114.144 -157.467 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -133.97 72.24 72.65 Favored Pre-proline 0 N--CA 1.439 -0.982 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.711 169.591 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -47.61 138.4 19.36 Favored 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 124.323 3.349 . . . . 0.0 112.675 171.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.41 61.64 6.74 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.136 0.974 . . . . 0.0 109.625 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 147.64 -66.27 0.4 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 109.212 -1.555 . . . . 0.0 109.212 -179.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.156 0 CA-C-O 117.059 -1.967 . . . . 0.0 109.662 179.715 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 N--CA 1.474 0.73 0 CA-C-O 118.679 -0.677 . . . . 0.0 110.493 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.2 m -53.82 -24.69 16.36 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 119.06 0.846 . . . . 0.0 112.333 169.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 26.0 m -81.37 -46.44 14.66 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 124.464 1.106 . . . . 0.0 111.6 -176.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 23.6 m -62.98 -28.95 70.44 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 173.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -66.57 -56.8 9.1 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 118.447 -0.787 . . . . 0.0 111.556 172.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -74.08 -19.45 60.6 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 115.395 -2.522 . . . . 0.0 112.559 -161.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.29 -36.22 0.32 Allowed 'General case' 0 C--O 1.212 -0.911 0 C-N-CA 129.679 3.192 . . . . 0.0 109.471 169.688 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -102.56 19.2 19.48 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 128.197 2.599 . . . . 0.0 116.83 -164.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 mp -67.94 -40.97 83.2 Favored 'General case' 0 CA--C 1.515 -0.383 0 C-N-CA 114.858 -2.737 . . . . 0.0 110.908 -159.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 94.7 mt -137.08 0.45 2.36 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 126.801 2.041 . . . . 0.0 112.953 168.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.7 t70 170.71 138.7 0.08 OUTLIER Pre-proline 0 N--CA 1.474 0.769 0 CA-C-O 116.372 -1.775 . . . . 0.0 111.159 -162.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -34.53 -35.19 0.09 OUTLIER 'Trans proline' 0 CA--C 1.512 -0.612 1 C-N-CA 126.245 4.63 . . . . 0.0 117.334 174.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.3 mtm105 -147.08 48.81 1.13 Allowed 'General case' 0 C--N 1.339 0.147 0 C-N-CA 112.464 -3.694 . . . . 0.0 113.779 162.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.7 p -65.93 -25.68 36.69 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.313 0 CA-C-N 114.974 -1.012 . . . . 0.0 108.886 154.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -35.7 -47.39 0.48 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 128.759 2.824 . . . . 0.0 111.118 177.133 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.6 -41.87 93.84 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 125.262 1.411 . . . . 0.0 112.803 177.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mt -70.58 19.61 0.05 OUTLIER 'General case' 0 CA--C 1.519 -0.236 0 C-N-CA 127.358 2.263 . . . . 0.0 113.017 169.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -145.98 25.07 1.3 Allowed 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 117.262 -1.775 . . . . 0.0 112.195 -166.188 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -129.64 70.91 82.14 Favored Pre-proline 0 N--CA 1.442 -0.832 0 C-N-CA 123.203 0.601 . . . . 0.0 109.702 168.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -46.33 126.3 9.9 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 124.554 3.503 . . . . 0.0 112.215 171.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.59 61.64 6.82 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.272 1.029 . . . . 0.0 109.441 -179.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -176.03 73.05 0.08 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 -178.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.151 0 CA-C-O 116.86 -2.078 . . . . 0.0 110.117 179.233 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 . . . . . 0 N--CA 1.473 0.701 0 CA-C-O 118.598 -0.715 . . . . 0.0 109.995 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 t -56.44 -34.7 67.09 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.245 0.929 . . . . 0.0 112.316 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.2 t -88.59 -39.54 14.03 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 117.937 0.335 . . . . 0.0 111.611 -170.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.4 m -65.43 -30.47 71.27 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 171.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -62.3 -56.17 21.09 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 118.693 -0.67 . . . . 0.0 110.848 173.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -76.15 -14.25 60.17 Favored 'General case' 0 C--O 1.222 -0.355 0 C-N-CA 115.86 -2.336 . . . . 0.0 112.518 -164.413 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -52.94 -15.22 0.71 Allowed 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 129.267 3.027 . . . . 0.0 110.457 169.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -112.1 32.11 5.76 Favored 'General case' 0 CA--C 1.508 -0.641 0 C-N-CA 127.401 2.28 . . . . 0.0 115.48 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.16 -46.39 74.15 Favored 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 114.295 -2.962 . . . . 0.0 108.845 -161.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 28.9 mt -140.3 6.7 2.14 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 111.251 -2.704 . . . . 0.0 111.152 165.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.4 t70 172.5 155.37 0.24 Allowed Pre-proline 0 N--CA 1.478 0.941 0 C-N-CA 124.598 1.159 . . . . 0.0 110.174 -165.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -27.37 -63.77 0.07 OUTLIER 'Trans proline' 0 C--N 1.351 0.67 1 C-N-CA 126.373 4.715 . . . . 0.0 116.551 161.685 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.93 47.45 1.43 Allowed 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 113.981 -3.088 . . . . 0.0 113.704 175.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.2 p -62.93 -25.77 39.3 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.386 0 CA-C-N 112.376 -2.193 . . . . 0.0 107.988 147.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.02 -36.45 0.68 Allowed 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 127.286 2.235 . . . . 0.0 110.769 176.189 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.63 -34.92 90.23 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 124.982 1.277 . . . . 0.0 113.249 178.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.1 mp -78.64 9.03 4.42 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 126.54 1.936 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -133.52 21.03 3.94 Favored 'General case' 0 CA--C 1.511 -0.544 0 C-N-CA 118.133 -1.427 . . . . 0.0 113.104 -152.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -132.28 70.41 80.04 Favored Pre-proline 0 N--CA 1.442 -0.861 0 O-C-N 123.881 0.738 . . . . 0.0 111.393 168.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -56.81 158.32 17.19 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 123.833 3.022 . . . . 0.0 111.912 166.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.3 59.55 5.08 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.362 0.665 . . . . 0.0 109.508 173.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 165.71 -73.75 0.16 Allowed Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.045 -1.222 . . . . 0.0 110.045 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.182 0 CA-C-O 116.68 -2.178 . . . . 0.0 110.461 179.527 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 N--CA 1.474 0.739 0 CA-C-O 118.831 -0.604 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.7 m -54.74 -23.19 16.67 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 118.962 0.801 . . . . 0.0 112.278 169.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.431 ' HA ' ' CE1' ' A' ' 6' ' ' HIS . 20.8 m -82.97 -38.28 22.9 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 124.238 1.015 . . . . 0.0 111.797 -175.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.8 m -64.15 -29.36 70.48 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 169.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -71.41 -54.23 11.4 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 119.092 -0.48 . . . . 0.0 112.038 177.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.431 ' CE1' ' HA ' ' A' ' 3' ' ' THR . 1.6 p-80 -74.14 -21.1 60.01 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 117.701 -1.6 . . . . 0.0 112.466 -163.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -49.33 -13.78 0.08 Allowed 'General case' 0 CA--C 1.553 1.088 1 C-N-CA 132.027 4.131 . . . . 0.0 110.959 172.427 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -110.82 14.34 22.18 Favored 'General case' 0 CA--C 1.5 -0.956 0 N-CA-C 117.724 2.49 . . . . 0.0 117.724 -174.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.86 -48.63 65.61 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 116.849 -1.94 . . . . 0.0 108.833 -162.529 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 44.2 mt -141.92 4.18 1.66 Allowed 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 128.951 2.9 . . . . 0.0 111.28 162.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 170.04 155.5 0.19 Allowed Pre-proline 0 CA--C 1.546 0.817 0 C-N-CA 123.575 0.75 . . . . 0.0 111.29 -162.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_exo -51.16 -32.26 39.38 Favored 'Trans proline' 0 CA--C 1.499 -1.273 0 C-N-CA 125.105 3.87 . . . . 0.0 117.955 175.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.71 53.51 0.72 Allowed 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 112.576 -3.65 . . . . 0.0 111.344 165.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.0 p -64.05 -25.19 37.53 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 CA-C-N 110.529 -3.032 . . . . 0.0 108.531 149.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 ppt_? -47.46 -41.3 20.25 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 128.447 2.699 . . . . 0.0 111.838 -173.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.99 -33.8 51.19 Favored Glycine 0 CA--C 1.538 1.523 0 C-N-CA 124.259 0.933 . . . . 0.0 113.149 177.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 mt -84.73 21.59 1.51 Allowed 'General case' 0 CA--C 1.518 -0.282 0 C-N-CA 127.592 2.357 . . . . 0.0 112.511 177.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -150.96 22.27 0.77 Allowed 'General case' 0 CA--C 1.511 -0.534 0 C-N-CA 115.528 -2.469 . . . . 0.0 114.808 -160.338 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -133.02 71.83 77.34 Favored Pre-proline 0 N--CA 1.438 -1.069 0 O-C-N 123.44 0.463 . . . . 0.0 109.854 167.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -49.99 128.24 21.54 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 124.138 3.225 . . . . 0.0 112.259 174.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.78 62.23 7.27 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.076 0.95 . . . . 0.0 109.602 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.35 -55.83 16.5 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 108.964 -1.654 . . . . 0.0 108.964 175.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.301 0 CA-C-O 117.169 -1.906 . . . . 0.0 109.65 170.976 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 . . . . . 0 N--CA 1.474 0.745 0 CA-C-O 118.323 -0.846 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.0 m -57.42 -30.31 64.87 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 119.85 1.204 . . . . 0.0 112.88 -178.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.7 t -91.2 -34.45 15.0 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 118.158 0.435 . . . . 0.0 111.398 -173.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 20.5 m -65.66 -30.64 71.36 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 169.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -62.39 -55.68 25.6 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 118.312 -0.851 . . . . 0.0 111.012 176.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.449 ' C ' ' H ' ' A' ' 8' ' ' ALA . 0.5 OUTLIER -69.48 -23.58 63.66 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 116.538 -2.065 . . . . 0.0 111.23 -167.175 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.62 1.04 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 129.959 3.303 . . . . 0.0 110.932 169.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.449 ' H ' ' C ' ' A' ' 6' ' ' HIS . . . -113.95 19.74 16.31 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 126.998 2.119 . . . . 0.0 115.375 172.185 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 mt -69.3 -53.95 17.08 Favored 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 116.259 -2.176 . . . . 0.0 109.363 -156.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 mp -127.68 7.14 6.22 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 127.266 2.227 . . . . 0.0 111.669 168.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 169.91 177.42 0.09 OUTLIER Pre-proline 0 N--CA 1.467 0.381 0 C-N-CA 125.782 1.633 . . . . 0.0 106.853 -166.264 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -31.35 -117.65 0.0 OUTLIER 'Trans proline' 0 CA--C 1.51 -0.713 1 C-N-CA 126.398 4.732 . . . . 0.0 115.743 143.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.1 mtm180 -103.01 36.99 2.06 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 116.317 -2.153 . . . . 0.0 112.033 -158.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.9 p -60.55 -27.33 40.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-N 111.92 -2.4 . . . . 0.0 108.696 155.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.4 -42.26 2.22 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.984 2.114 . . . . 0.0 110.452 176.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.0 -37.23 57.86 Favored Glycine 0 CA--C 1.53 0.971 0 C-N-CA 125.054 1.311 . . . . 0.0 112.499 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.4 mp -84.75 15.96 3.57 Favored 'General case' 0 N--CA 1.44 -0.942 0 C-N-CA 125.945 1.698 . . . . 0.0 110.904 -172.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -140.69 20.64 2.34 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 117.406 -1.718 . . . . 0.0 112.074 -161.203 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -135.52 71.86 65.12 Favored Pre-proline 0 N--CA 1.434 -1.226 0 C-N-CA 123.871 0.868 . . . . 0.0 108.832 169.441 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -48.95 155.21 2.76 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 124.046 3.164 . . . . 0.0 112.327 170.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.92 61.18 5.12 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.185 0.994 . . . . 0.0 109.695 -177.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.37 -55.27 0.17 Allowed Glycine 0 CA--C 1.527 0.783 0 N-CA-C 109.998 -1.241 . . . . 0.0 109.998 -177.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.157 0 CA-C-O 117.035 -1.98 . . . . 0.0 109.98 -178.673 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.475 0.781 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m -69.4 -28.8 66.48 Favored 'General case' 0 C--N 1.345 0.384 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -169.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 t -86.36 -34.21 20.31 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 119.586 1.085 . . . . 0.0 112.293 -164.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 34.5 m -74.03 -20.63 60.24 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 173.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -70.84 -59.56 2.73 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 119.59 -0.243 . . . . 0.0 110.387 169.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -75.28 -15.16 60.54 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 117.893 -1.523 . . . . 0.0 112.996 -161.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -29.12 -51.65 0.1 Allowed 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 130.491 3.516 . . . . 0.0 107.505 168.692 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.4 36.68 1.23 Allowed 'General case' 0 N--CA 1.436 -1.167 0 C-N-CA 131.499 3.919 . . . . 0.0 114.085 -166.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.99 -25.13 66.95 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 114.822 -2.751 . . . . 0.0 109.496 -165.385 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 90.4 mt -137.25 -5.0 1.86 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 127.741 2.417 . . . . 0.0 112.638 157.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 168.55 149.87 0.11 Allowed Pre-proline 0 CA--C 1.547 0.855 0 C-N-CA 126.493 1.917 . . . . 0.0 108.957 -166.513 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -60.16 4.03 0.2 Allowed 'Trans proline' 0 N--CA 1.481 0.784 1 C-N-CA 125.415 4.076 . . . . 0.0 119.275 -161.335 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.6 mtm-85 -148.87 41.4 0.93 Allowed 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 124.177 3.171 . . . . 0.0 110.024 153.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.1 t -67.48 -28.84 43.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 C-N-CA 125.274 1.43 . . . . 0.0 108.794 165.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -32.01 -50.58 0.22 Allowed 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 128.002 2.521 . . . . 0.0 111.468 169.383 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.29 -34.85 68.62 Favored Glycine 0 C--N 1.34 0.769 0 C-N-CA 124.385 0.993 . . . . 0.0 112.209 -175.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.9 mp -86.36 19.07 2.9 Favored 'General case' 0 N--CA 1.435 -1.199 0 C-N-CA 124.883 1.273 . . . . 0.0 110.067 -171.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -149.32 14.96 0.89 Allowed 'General case' 0 C--N 1.343 0.312 0 C-N-CA 116.522 -2.071 . . . . 0.0 114.093 -160.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -133.01 74.71 73.34 Favored Pre-proline 0 N--CA 1.444 -0.759 0 C-N-CA 122.627 0.371 . . . . 0.0 110.794 172.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.79 144.48 76.59 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 123.691 2.928 . . . . 0.0 111.604 167.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.52 60.1 5.86 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.627 0.771 . . . . 0.0 109.729 178.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.66 83.76 0.05 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 109.33 -1.508 . . . . 0.0 109.33 -175.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.176 0 CA-C-O 117.171 -1.905 . . . . 0.0 110.092 177.004 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.2 m . . . . . 0 N--CA 1.446 -0.667 0 CA-C-O 119.301 -0.38 . . . . 0.0 111.489 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 49.0 m -67.98 -26.92 66.16 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 174.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -69.23 -59.22 3.16 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 119.031 -0.509 . . . . 0.0 110.735 170.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -73.72 -16.7 61.18 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 117.11 -1.836 . . . . 0.0 113.211 -162.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -33.1 -50.28 0.28 Allowed 'General case' 0 C--O 1.221 -0.406 0 C-N-CA 129.344 3.058 . . . . 0.0 107.112 169.778 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.33 36.66 1.32 Allowed 'General case' 0 N--CA 1.436 -1.129 1 C-N-CA 131.758 4.023 . . . . 0.0 114.426 -166.127 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.06 -29.61 69.98 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 114.507 -2.877 . . . . 0.0 109.397 -164.712 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 35.1 mt -139.46 3.32 2.11 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 127.431 2.292 . . . . 0.0 112.133 161.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 166.5 143.74 0.05 OUTLIER Pre-proline 0 CA--C 1.544 0.747 0 CA-C-O 116.074 -1.917 . . . . 0.0 108.053 -168.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -50.48 -0.88 0.04 OUTLIER 'Trans proline' 0 N--CA 1.489 1.237 1 C-N-CA 128.217 5.945 . . . . 0.0 120.6 -172.261 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.0 mtm180 -150.15 44.4 0.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 114.846 -2.742 . . . . 0.0 110.552 154.203 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 56.1 t -66.9 -31.64 54.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 114.415 -1.266 . . . . 0.0 108.263 164.109 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -29.4 -59.54 0.15 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 129.198 2.999 . . . . 0.0 110.974 172.219 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.64 -24.59 69.72 Favored Glycine 0 CA--C 1.532 1.118 0 CA-C-N 119.71 1.141 . . . . 0.0 113.466 -172.149 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 mt -84.14 16.43 2.96 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 125.528 1.531 . . . . 0.0 111.615 176.094 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -160.2 30.45 0.17 Allowed 'General case' 0 CA--C 1.511 -0.52 0 C-N-CA 115.392 -2.523 . . . . 0.0 115.543 -159.445 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -129.35 71.13 82.07 Favored Pre-proline 0 N--CA 1.442 -0.857 0 O-C-N 123.539 0.525 . . . . 0.0 110.352 164.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -45.88 122.0 4.75 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 124.54 3.493 . . . . 0.0 111.775 167.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.176 0 C-N-CA 123.958 0.903 . . . . 0.0 109.648 -176.759 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.418 ' HA ' ' CD2' ' A' ' 6' ' ' HIS . 86.0 m . . . . . 0 N--CA 1.444 -0.768 0 CA-C-O 118.61 -0.71 . . . . 0.0 112.245 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.2 m -67.19 -28.11 67.82 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 170.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -67.03 -63.56 1.03 Allowed 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 118.007 -0.997 . . . . 0.0 111.018 175.376 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.418 ' CD2' ' HA ' ' A' ' 3' ' ' THR . 0.0 OUTLIER -78.55 -9.53 59.38 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 115.313 -2.555 . . . . 0.0 113.048 -162.584 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -29.36 -40.34 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.039 0 C-N-CA 130.819 3.647 . . . . 0.0 110.562 168.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -100.26 24.46 8.73 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 126.704 2.002 . . . . 0.0 115.967 -167.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 mt -67.21 -40.09 86.39 Favored 'General case' 0 CA--C 1.517 -0.308 0 C-N-CA 115.641 -2.424 . . . . 0.0 110.263 -161.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.503 ' H ' HG11 ' A' ' 14' ' ' VAL . 42.2 mt -140.84 -2.52 1.33 Allowed 'General case' 0 C--N 1.317 -0.838 0 C-N-CA 127.35 2.26 . . . . 0.0 112.654 164.489 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.603 ' O ' HG12 ' A' ' 14' ' ' VAL . 0.6 OUTLIER 168.9 144.4 0.07 OUTLIER Pre-proline 0 N--CA 1.477 0.891 0 CA-C-O 117.559 -1.21 . . . . 0.0 110.725 -165.678 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -36.46 -43.07 0.76 Allowed 'Trans proline' 0 C--N 1.35 0.634 1 C-N-CA 126.046 4.497 . . . . 0.0 118.395 -174.28 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.421 ' HA ' ' HG2' ' A' ' 15' ' ' ARG . 0.4 OUTLIER -144.72 47.54 1.35 Allowed 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 114.578 -2.849 . . . . 0.0 111.875 167.504 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.603 HG12 ' O ' ' A' ' 11' ' ' ASP . 7.2 p -62.75 -25.27 37.86 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-N 112.51 -2.132 . . . . 0.0 108.642 150.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.421 ' HG2' ' HA ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -56.0 -41.72 75.27 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 126.812 2.045 . . . . 0.0 110.086 -167.508 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.28 -32.76 64.14 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 124.341 0.972 . . . . 0.0 112.881 175.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 mt -81.52 21.68 0.77 Allowed 'General case' 0 C--N 1.34 0.178 0 C-N-CA 125.966 1.707 . . . . 0.0 112.284 174.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -146.46 25.8 1.19 Allowed 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 116.684 -2.006 . . . . 0.0 112.371 -164.753 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -133.2 73.96 73.57 Favored Pre-proline 0 N--CA 1.441 -0.889 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 168.729 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -49.74 127.24 18.33 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.928 3.085 . . . . 0.0 112.244 175.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.157 0 C-N-CA 124.27 1.028 . . . . 0.0 109.411 -178.657 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.6 t . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 119.781 -0.152 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.2 m -64.7 -31.46 72.7 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 170.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -66.36 -59.4 3.73 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 118.764 -0.636 . . . . 0.0 110.789 174.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.63 ' O ' HD23 ' A' ' 9' ' ' LEU . 1.1 p-80 -77.68 -11.57 59.88 Favored 'General case' 0 C--O 1.221 -0.397 0 C-N-CA 116.086 -2.246 . . . . 0.0 113.098 -162.776 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.9 -39.25 1.77 Allowed 'General case' 0 C--O 1.212 -0.907 0 C-N-CA 128.046 2.538 . . . . 0.0 108.456 169.063 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -100.28 31.97 3.19 Favored 'General case' 0 N--CA 1.441 -0.911 0 C-N-CA 128.888 2.875 . . . . 0.0 114.691 -166.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.63 HD23 ' O ' ' A' ' 6' ' ' HIS . 0.2 OUTLIER -65.42 -42.82 92.1 Favored 'General case' 0 CA--C 1.519 -0.245 0 C-N-CA 114.684 -2.806 . . . . 0.0 109.231 -162.318 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.409 ' H ' ' CG1' ' A' ' 14' ' ' VAL . 46.0 mt -141.57 3.52 1.69 Allowed 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 128.482 2.713 . . . . 0.0 111.97 165.315 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.556 ' O ' HG12 ' A' ' 14' ' ' VAL . 18.5 t70 171.74 136.86 0.09 OUTLIER Pre-proline 0 N--CA 1.474 0.773 0 CA-C-O 116.215 -1.85 . . . . 0.0 110.75 -163.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -32.21 -36.88 0.06 OUTLIER 'Trans proline' 0 C--N 1.351 0.69 1 C-N-CA 126.796 4.997 . . . . 0.0 117.51 177.445 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -147.72 49.2 1.08 Allowed 'General case' 0 C--N 1.34 0.174 0 C-N-CA 112.361 -3.736 . . . . 0.0 113.654 162.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.556 HG12 ' O ' ' A' ' 11' ' ' ASP . 12.2 p -66.5 -26.27 37.18 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-N 114.937 -1.029 . . . . 0.0 108.587 154.349 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.455 ' HB3' ' O ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -33.79 -46.15 0.21 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 129.382 3.073 . . . . 0.0 112.041 177.023 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.13 -34.42 87.96 Favored Glycine 0 CA--C 1.541 1.703 0 CA-C-N 119.674 1.124 . . . . 0.0 113.124 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mt -76.01 21.04 0.17 Allowed 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 127.586 2.354 . . . . 0.0 112.396 170.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -146.62 24.59 1.22 Allowed 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 116.702 -1.999 . . . . 0.0 112.785 -162.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -131.17 72.32 81.49 Favored Pre-proline 0 N--CA 1.441 -0.917 0 O-C-N 123.7 0.625 . . . . 0.0 110.269 169.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -46.27 125.91 9.34 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 124.331 3.354 . . . . 0.0 111.864 168.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.139 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.897 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 61.0 m . . . . . 0 N--CA 1.444 -0.747 0 CA-C-O 119.047 -0.502 . . . . 0.0 111.699 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.9 m -63.41 -32.92 74.49 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 170.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -68.5 -58.72 3.89 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 119.045 -0.502 . . . . 0.0 111.344 176.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -73.91 -25.47 60.01 Favored 'General case' 0 CA--C 1.513 -0.453 0 C-N-CA 117.014 -1.874 . . . . 0.0 112.8 -163.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -36.83 -41.03 0.3 Allowed 'General case' 0 C--O 1.212 -0.903 0 C-N-CA 128.969 2.908 . . . . 0.0 108.067 174.062 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.8 21.79 7.11 Favored 'General case' 0 N--CA 1.439 -0.978 0 C-N-CA 129.375 3.07 . . . . 0.0 116.006 -164.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.538 HD23 ' HB3' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -63.59 -44.92 92.6 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 116.811 -1.956 . . . . 0.0 110.638 -163.598 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.579 ' H ' HG11 ' A' ' 14' ' ' VAL . 46.4 mt -141.98 0.13 1.36 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 111.807 -2.451 . . . . 0.0 112.497 167.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.762 ' O ' HG12 ' A' ' 14' ' ' VAL . 10.1 t70 167.92 134.57 0.04 OUTLIER Pre-proline 0 N--CA 1.476 0.868 0 CA-C-O 116.431 -1.747 . . . . 0.0 110.56 -161.669 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -33.45 -35.18 0.07 OUTLIER 'Trans proline' 0 CA--C 1.513 -0.549 1 C-N-CA 126.528 4.819 . . . . 0.0 118.178 -178.174 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -145.01 47.65 1.32 Allowed 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 113.294 -3.363 . . . . 0.0 113.414 166.11 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.762 HG12 ' O ' ' A' ' 11' ' ' ASP . 7.7 p -65.84 -25.96 37.52 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 CA-C-N 114.061 -1.427 . . . . 0.0 108.902 154.608 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.5 -43.42 1.84 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 128.631 2.773 . . . . 0.0 110.908 -179.583 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.8 -37.22 76.31 Favored Glycine 0 CA--C 1.538 1.525 0 C-N-CA 124.699 1.142 . . . . 0.0 113.449 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mt -79.79 19.1 0.7 Allowed 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 127.726 2.41 . . . . 0.0 112.692 177.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.538 ' HB3' HD23 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -145.83 19.74 1.46 Allowed 'General case' 0 CA--C 1.513 -0.46 0 C-N-CA 114.992 -2.683 . . . . 0.0 114.113 -157.947 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -133.55 71.38 75.59 Favored Pre-proline 0 N--CA 1.438 -1.072 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.851 170.499 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_exo -46.36 110.06 0.25 Allowed 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 124.726 3.617 . . . . 0.0 112.478 173.009 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.167 0 C-N-CA 124.154 0.982 . . . . 0.0 109.452 -179.521 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.4 m . . . . . 0 N--CA 1.447 -0.602 0 CA-C-O 118.908 -0.568 . . . . 0.0 111.794 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 89.7 m -65.71 -28.68 69.23 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 172.364 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -68.98 -61.04 1.96 Allowed 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 119.268 -0.396 . . . . 0.0 110.955 173.086 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -77.34 -17.39 58.3 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 118.011 -1.475 . . . . 0.0 113.269 -162.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -32.01 -50.63 0.22 Allowed 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 129.006 2.922 . . . . 0.0 107.377 171.491 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.85 35.74 1.23 Allowed 'General case' 0 N--CA 1.435 -1.179 1 C-N-CA 132.124 4.169 . . . . 0.0 114.281 -165.607 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.91 -25.85 67.34 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 114.847 -2.741 . . . . 0.0 109.35 -165.072 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.4 mt -140.57 0.77 1.68 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 127.896 2.478 . . . . 0.0 112.38 158.586 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 166.68 148.09 0.06 OUTLIER Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 126.455 1.902 . . . . 0.0 108.703 -168.466 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -61.26 8.98 0.08 OUTLIER 'Trans proline' 0 N--CA 1.485 0.996 1 C-N-CA 125.896 4.397 . . . . 0.0 119.45 -163.548 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.0 mtp180 -151.23 41.47 0.73 Allowed 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 123.392 2.814 . . . . 0.0 109.331 151.131 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.1 t -67.06 -30.63 50.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 C-N-CA 125.01 1.324 . . . . 0.0 108.39 166.106 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -29.94 -49.09 0.1 Allowed 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 128.051 2.541 . . . . 0.0 111.056 168.673 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.63 -34.95 88.29 Favored Glycine 0 CA--C 1.53 1.031 0 C-N-CA 123.888 0.756 . . . . 0.0 112.323 -174.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.484 HD12 ' N ' ' A' ' 17' ' ' LEU . 8.9 mp -86.67 16.54 4.63 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 125.021 1.328 . . . . 0.0 110.859 -175.23 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -145.38 16.9 1.51 Allowed 'General case' 0 CA--C 1.517 -0.318 0 C-N-CA 116.361 -2.136 . . . . 0.0 113.635 -159.53 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -132.95 71.8 77.57 Favored Pre-proline 0 N--CA 1.44 -0.946 0 C-N-CA 123.061 0.544 . . . . 0.0 109.828 169.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -54.68 135.25 66.41 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.498 2.799 . . . . 0.0 111.974 175.145 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.206 0 C-N-CA 123.709 0.803 . . . . 0.0 109.418 177.795 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.2 t . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 119.825 -0.131 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 77.4 m -66.7 -27.01 67.3 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 169.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -68.74 -59.09 3.34 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 118.784 -0.627 . . . . 0.0 110.47 173.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.645 ' O ' HD23 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -78.75 -11.53 59.99 Favored 'General case' 0 C--O 1.225 -0.228 0 C-N-CA 116.008 -2.277 . . . . 0.0 113.074 -162.77 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.14 -44.62 1.85 Allowed 'General case' 0 C--O 1.216 -0.693 0 C-N-CA 127.935 2.494 . . . . 0.0 107.13 169.579 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.32 31.25 2.0 Allowed 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 129.175 2.99 . . . . 0.0 114.485 -164.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.645 HD23 ' O ' ' A' ' 6' ' ' HIS . 0.2 OUTLIER -66.62 -44.28 82.46 Favored 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 114.977 -2.689 . . . . 0.0 108.694 -163.465 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.515 ' H ' HG11 ' A' ' 14' ' ' VAL . 85.7 mt -134.33 -5.39 2.63 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 111.454 -2.612 . . . . 0.0 113.077 166.443 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.702 ' O ' HG12 ' A' ' 14' ' ' VAL . 0.4 OUTLIER 168.52 137.6 0.05 OUTLIER Pre-proline 0 N--CA 1.472 0.665 0 CA-C-O 116.746 -1.597 . . . . 0.0 110.347 -163.661 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -31.9 -39.65 0.08 OUTLIER 'Trans proline' 0 C--N 1.349 0.594 1 C-N-CA 127.331 5.354 . . . . 0.0 118.544 -175.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.06 50.71 1.41 Allowed 'General case' 0 C--N 1.338 0.083 0 C-N-CA 113.176 -3.41 . . . . 0.0 113.101 166.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.702 HG12 ' O ' ' A' ' 11' ' ' ASP . 13.5 p -69.9 -25.38 27.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-N 113.257 -1.792 . . . . 0.0 108.909 153.483 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.455 ' HB3' ' O ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -38.39 -44.66 0.93 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 129.385 3.074 . . . . 0.0 111.746 -178.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.7 -40.43 79.58 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 124.763 1.173 . . . . 0.0 112.997 178.173 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 mt -74.24 20.92 0.1 Allowed 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 127.826 2.451 . . . . 0.0 112.534 171.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -146.87 25.26 1.16 Allowed 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 116.723 -1.991 . . . . 0.0 112.676 -163.411 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -131.33 72.62 80.87 Favored Pre-proline 0 N--CA 1.441 -0.905 0 O-C-N 123.747 0.654 . . . . 0.0 110.224 168.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -52.08 121.66 9.22 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 123.735 2.957 . . . . 0.0 111.698 172.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.169 0 C-N-CA 124.026 0.93 . . . . 0.0 109.209 179.965 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.421 ' HA ' ' CE1' ' A' ' 6' ' ' HIS . 65.5 m . . . . . 0 N--CA 1.443 -0.804 0 CA-C-O 118.854 -0.593 . . . . 0.0 111.995 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 55.8 m -59.73 -31.98 70.12 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 173.145 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -67.45 -53.28 30.36 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 118.995 -0.526 . . . . 0.0 111.868 176.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.421 ' CE1' ' HA ' ' A' ' 3' ' ' THR . 1.5 p-80 -73.93 -17.86 60.97 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 117.561 -1.656 . . . . 0.0 112.653 -165.713 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -51.38 -11.49 0.12 Allowed 'General case' 0 CA--C 1.552 1.047 1 C-N-CA 132.076 4.15 . . . . 0.0 111.234 170.268 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -115.84 15.96 16.3 Favored 'General case' 0 CA--C 1.499 -1.01 0 N-CA-C 118.998 2.962 . . . . 0.0 118.998 -175.508 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.468 HD23 ' HB3' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -67.23 -52.2 43.91 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 116.551 -2.06 . . . . 0.0 109.031 -162.471 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.677 ' H ' HG11 ' A' ' 14' ' ' VAL . 95.5 mt -138.75 3.53 2.27 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 129.081 2.952 . . . . 0.0 111.561 165.016 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 21.0 t70 173.68 159.82 0.31 Allowed Pre-proline 0 N--CA 1.475 0.802 0 C-N-CA 123.891 0.877 . . . . 0.0 110.718 -162.34 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -55.25 -33.56 85.14 Favored 'Trans proline' 0 CA--C 1.498 -1.314 0 C-N-CA 124.199 3.266 . . . . 0.0 118.194 170.108 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.84 53.51 0.71 Allowed 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 112.041 -3.863 . . . . 0.0 112.385 166.279 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.677 HG11 ' H ' ' A' ' 10' ' ' LEU . 7.6 p -63.05 -28.6 45.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 110.728 -2.942 . . . . 0.0 108.323 149.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.1 ppt_? -40.56 -40.51 1.27 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 128.979 2.912 . . . . 0.0 112.417 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.43 -30.56 61.91 Favored Glycine 0 CA--C 1.541 1.714 0 CA-C-N 119.744 1.157 . . . . 0.0 113.254 179.044 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 mt -88.34 17.83 4.93 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 127.71 2.404 . . . . 0.0 112.588 177.042 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.468 ' HB3' HD23 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -145.72 22.42 1.44 Allowed 'General case' 0 CA--C 1.513 -0.479 0 C-N-CA 114.584 -2.847 . . . . 0.0 114.451 -155.14 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -135.19 72.5 66.43 Favored Pre-proline 0 N--CA 1.439 -0.997 0 O-C-N 123.619 0.574 . . . . 0.0 109.873 168.555 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -51.52 114.49 1.6 Allowed 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 123.819 3.013 . . . . 0.0 112.04 175.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.195 0 C-N-CA 124.037 0.935 . . . . 0.0 109.598 -179.635 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 54.3 m -62.25 -27.28 68.89 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 118.826 0.739 . . . . 0.0 109.691 174.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -67.38 -58.31 5.02 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-O 119.131 -0.461 . . . . 0.0 110.842 175.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.648 ' O ' HD23 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -79.45 -11.94 59.9 Favored 'General case' 0 C--O 1.223 -0.322 0 C-N-CA 116.324 -2.151 . . . . 0.0 113.099 -162.417 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.62 -39.48 2.37 Favored 'General case' 0 C--O 1.212 -0.91 0 C-N-CA 128.066 2.546 . . . . 0.0 108.297 169.623 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.44 31.35 3.17 Favored 'General case' 0 N--CA 1.441 -0.909 0 C-N-CA 129.087 2.955 . . . . 0.0 114.665 -166.171 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.648 HD23 ' O ' ' A' ' 6' ' ' HIS . 0.2 OUTLIER -65.51 -42.85 91.6 Favored 'General case' 0 CA--C 1.52 -0.191 0 C-N-CA 114.802 -2.759 . . . . 0.0 109.133 -162.456 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.416 ' H ' HG11 ' A' ' 14' ' ' VAL . 46.5 mt -141.38 2.65 1.67 Allowed 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 128.3 2.64 . . . . 0.0 112.173 165.725 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.574 ' O ' HG12 ' A' ' 14' ' ' VAL . 17.3 t70 171.96 136.22 0.09 OUTLIER Pre-proline 0 N--CA 1.475 0.811 0 CA-C-O 116.134 -1.889 . . . . 0.0 110.717 -163.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -33.65 -34.25 0.07 OUTLIER 'Trans proline' 0 C--N 1.351 0.697 1 C-N-CA 126.85 5.033 . . . . 0.0 117.725 178.734 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -147.41 48.75 1.1 Allowed 'General case' 0 C--N 1.339 0.14 0 C-N-CA 112.414 -3.714 . . . . 0.0 113.589 162.251 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.574 HG12 ' O ' ' A' ' 11' ' ' ASP . 10.9 p -67.17 -27.58 39.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-N 115.103 -0.953 . . . . 0.0 108.617 155.726 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.472 ' HB3' ' O ' ' A' ' 6' ' ' HIS . 0.1 OUTLIER -32.04 -47.03 0.13 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 129.447 3.099 . . . . 0.0 112.061 176.595 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.75 -40.14 92.39 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 124.856 1.217 . . . . 0.0 112.847 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 mt -73.2 20.98 0.08 Allowed 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 127.743 2.417 . . . . 0.0 112.742 170.123 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -145.62 25.36 1.33 Allowed 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 116.848 -1.941 . . . . 0.0 112.375 -164.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -133.74 71.96 74.02 Favored Pre-proline 0 N--CA 1.441 -0.896 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.158 168.346 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -50.48 159.32 2.16 Favored 'Trans proline' 0 CA--C 1.533 0.464 0 C-N-CA 124.461 3.441 . . . . 0.0 113.152 169.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.198 0 C-N-CA 124.056 0.942 . . . . 0.0 109.818 179.733 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.7 t . . . . . 0 N--CA 1.457 -0.106 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.1 m -66.98 -22.5 65.92 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 174.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -72.44 -54.57 8.96 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 118.306 0.503 . . . . 0.0 110.92 173.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.642 ' O ' HD23 ' A' ' 9' ' ' LEU . 1.1 p-80 -76.55 -10.2 59.22 Favored 'General case' 0 C--O 1.224 -0.284 0 C-N-CA 116.683 -2.007 . . . . 0.0 113.682 -162.589 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -36.29 -47.41 0.59 Allowed 'General case' 0 N--CA 1.438 -1.029 1 C-N-CA 132.03 4.132 . . . . 0.0 107.833 163.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -101.58 39.54 1.43 Allowed 'General case' 0 CA--C 1.503 -0.839 0 C-N-CA 130.875 3.67 . . . . 0.0 115.712 -166.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.642 HD23 ' O ' ' A' ' 6' ' ' HIS . 0.2 OUTLIER -65.0 -31.0 72.03 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 114.147 -3.021 . . . . 0.0 110.063 -164.735 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.7 mt -138.44 1.14 2.14 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.98 2.112 . . . . 0.0 112.222 161.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 168.03 151.58 0.11 Allowed Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 125.906 1.682 . . . . 0.0 108.393 -169.027 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -52.28 -14.14 2.62 Favored 'Trans proline' 0 CA--C 1.505 -0.973 1 C-N-CA 126.457 4.771 . . . . 0.0 120.566 -169.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.527 ' HA ' ' HG2' ' A' ' 15' ' ' ARG . 8.9 mtm105 -144.68 47.54 1.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 112.546 -3.662 . . . . 0.0 111.018 156.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.5 t -67.35 -22.54 29.03 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.827 0 CA-C-N 112.161 -2.291 . . . . 0.0 107.599 156.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.527 ' HG2' ' HA ' ' A' ' 13' ' ' ARG . 4.9 ptm180 -44.18 -43.81 7.35 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.71 1.604 . . . . 0.0 110.628 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.65 -36.35 39.76 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 125.109 1.337 . . . . 0.0 113.433 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.465 HD12 ' N ' ' A' ' 17' ' ' LEU . 7.8 mp -86.72 12.3 11.07 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 125.578 1.551 . . . . 0.0 110.83 -172.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.404 ' CD1' HD12 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -141.38 23.16 2.17 Favored 'General case' 0 CA--C 1.511 -0.529 0 C-N-CA 116.353 -2.139 . . . . 0.0 113.203 -155.05 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -134.01 73.52 70.41 Favored Pre-proline 0 N--CA 1.438 -1.042 0 O-C-N 123.499 0.5 . . . . 0.0 110.228 169.464 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -50.59 132.85 36.98 Favored 'Trans proline' 0 N--CA 1.456 -0.717 0 C-N-CA 123.721 2.947 . . . . 0.0 111.503 170.371 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.118 0 C-N-CA 124.015 0.926 . . . . 0.0 108.849 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.9 t . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 119.319 -0.372 . . . . 0.0 111.836 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.2 m -63.46 -33.88 76.54 Favored 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 168.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -65.35 -60.94 2.44 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 118.84 -0.6 . . . . 0.0 110.871 178.675 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -76.21 -21.67 56.17 Favored 'General case' 0 CA--C 1.514 -0.408 0 C-N-CA 116.727 -1.989 . . . . 0.0 113.195 -163.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -32.59 -43.03 0.08 Allowed 'General case' 0 C--O 1.211 -0.938 0 C-N-CA 129.255 3.022 . . . . 0.0 109.4 172.576 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -98.96 28.62 4.26 Favored 'General case' 0 N--CA 1.434 -1.258 0 C-N-CA 130.322 3.449 . . . . 0.0 114.83 -165.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.02 -46.81 82.8 Favored 'General case' 0 CA--C 1.521 -0.136 0 C-N-CA 115.679 -2.408 . . . . 0.0 108.508 -160.667 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.437 ' H ' HG11 ' A' ' 14' ' ' VAL . 2.1 mp -133.75 -4.46 2.87 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 129.455 3.102 . . . . 0.0 112.811 163.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.57 ' O ' HG12 ' A' ' 14' ' ' VAL . 16.7 t70 178.32 135.45 0.23 Allowed Pre-proline 0 N--CA 1.471 0.618 0 CA-C-O 116.304 -1.808 . . . . 0.0 110.95 -162.456 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -36.15 -32.52 0.11 Allowed 'Trans proline' 0 C--N 1.348 0.517 1 C-N-CA 126.149 4.566 . . . . 0.0 117.473 -178.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -147.04 49.44 1.12 Allowed 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 112.671 -3.612 . . . . 0.0 113.871 161.06 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.57 HG12 ' O ' ' A' ' 11' ' ' ASP . 7.1 p -65.34 -31.78 55.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 155.393 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -32.89 -48.67 0.21 Allowed 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 127.547 2.339 . . . . 0.0 110.556 173.506 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.74 -18.82 77.66 Favored Glycine 0 CA--C 1.529 0.912 0 C-N-CA 124.856 1.217 . . . . 0.0 113.496 -169.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.662 ' N ' HD23 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -89.77 3.85 51.53 Favored 'General case' 0 N--CA 1.434 -1.259 0 CA-C-N 119.284 1.542 . . . . 0.0 109.267 -178.009 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -147.8 36.76 0.87 Allowed 'General case' 0 CA--C 1.507 -0.694 0 N-CA-C 116.477 2.029 . . . . 0.0 116.477 -144.187 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -128.27 72.77 79.98 Favored Pre-proline 0 N--CA 1.442 -0.845 0 C-N-CA 120.026 -0.67 . . . . 0.0 110.241 163.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -48.85 127.99 17.95 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 123.872 3.048 . . . . 0.0 112.117 171.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.173 0 C-N-CA 124.402 1.081 . . . . 0.0 109.294 -178.389 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.2 t . . . . . 0 N--CA 1.456 -0.125 0 N-CA-C 111.521 0.193 . . . . 0.0 111.521 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 51.6 m -64.59 -26.8 68.56 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 169.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -68.37 -58.95 3.57 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 119.071 -0.49 . . . . 0.0 110.951 176.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -74.54 -16.07 60.84 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 116.929 -1.908 . . . . 0.0 112.988 -164.088 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -37.02 -37.12 0.14 Allowed 'General case' 0 N--CA 1.435 -1.198 0 C-N-CA 129.897 3.279 . . . . 0.0 109.185 165.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -100.62 30.68 3.83 Favored 'General case' 0 CA--C 1.505 -0.773 0 C-N-CA 126.851 2.061 . . . . 0.0 114.391 -170.28 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.58 -45.31 65.6 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 115.544 -2.463 . . . . 0.0 109.449 -160.656 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.556 ' H ' HG11 ' A' ' 14' ' ' VAL . 98.6 mt -139.92 3.47 2.02 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 128.373 2.669 . . . . 0.0 112.448 167.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.632 ' O ' HG12 ' A' ' 14' ' ' VAL . 19.5 t70 166.71 139.65 0.04 OUTLIER Pre-proline 0 N--CA 1.478 0.952 0 CA-C-O 116.628 -1.653 . . . . 0.0 110.249 -162.231 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_exo -31.42 -44.0 0.14 Allowed 'Trans proline' 0 C--N 1.349 0.585 1 C-N-CA 125.671 4.248 . . . . 0.0 117.13 173.478 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.92 54.03 1.22 Allowed 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 113.107 -3.437 . . . . 0.0 113.071 166.242 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.632 HG12 ' O ' ' A' ' 11' ' ' ASP . 7.7 p -65.89 -32.89 60.17 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 CA-C-N 113.795 -1.548 . . . . 0.0 107.982 152.292 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -32.39 -52.48 0.29 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 130.281 3.432 . . . . 0.0 110.758 -179.325 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.89 -38.25 83.14 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 125.029 1.3 . . . . 0.0 113.397 -176.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 mt -80.65 17.1 1.19 Allowed 'General case' 0 CA--C 1.519 -0.221 0 C-N-CA 126.57 1.948 . . . . 0.0 112.237 178.611 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -143.13 25.02 1.77 Allowed 'General case' 0 CA--C 1.518 -0.255 0 C-N-CA 116.182 -2.207 . . . . 0.0 112.382 -159.428 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -133.03 75.43 71.97 Favored Pre-proline 0 N--CA 1.445 -0.706 0 C-N-CA 123.706 0.802 . . . . 0.0 109.784 172.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -49.18 144.48 16.7 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 124.413 3.409 . . . . 0.0 112.657 171.305 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.206 0 C-N-CA 123.789 0.836 . . . . 0.0 109.572 179.311 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 54.4 m . . . . . 0 N--CA 1.444 -0.742 0 CA-C-O 119.171 -0.442 . . . . 0.0 111.513 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 51.0 m -66.28 -25.75 67.01 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 173.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -74.13 -57.43 3.97 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 118.771 -0.633 . . . . 0.0 110.819 173.531 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.616 ' O ' HD23 ' A' ' 9' ' ' LEU . 1.3 p-80 -78.54 -8.47 58.61 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 116.601 -2.04 . . . . 0.0 113.307 -163.145 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.02 -50.27 1.78 Allowed 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 129.951 3.3 . . . . 0.0 106.402 166.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -97.05 38.57 1.23 Allowed 'General case' 0 N--CA 1.437 -1.096 0 C-N-CA 131.501 3.921 . . . . 0.0 115.281 -163.367 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.616 HD23 ' O ' ' A' ' 6' ' ' HIS . 0.2 OUTLIER -65.48 -28.12 68.98 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 113.968 -3.093 . . . . 0.0 109.166 -167.031 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.2 mt -139.04 0.02 1.91 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 127.253 2.221 . . . . 0.0 112.534 161.137 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 168.19 145.36 0.07 OUTLIER Pre-proline 0 CA--C 1.548 0.893 0 CA-C-O 116.258 -1.83 . . . . 0.0 108.748 -169.041 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -48.67 -4.85 0.04 OUTLIER 'Trans proline' 0 N--CA 1.486 1.066 1 C-N-CA 128.102 5.868 . . . . 0.0 120.871 -170.705 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.3 mtm105 -147.06 41.6 1.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 114.204 -2.998 . . . . 0.0 110.947 156.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 70.7 t -70.74 -25.3 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 CA-C-N 113.544 -1.662 . . . . 0.0 108.543 163.06 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.448 ' HB3' ' O ' ' A' ' 6' ' ' HIS . 0.2 OUTLIER -31.4 -45.37 0.08 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 127.279 2.232 . . . . 0.0 111.456 169.684 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.27 -39.16 81.29 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 125.047 1.308 . . . . 0.0 112.827 -178.013 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.421 HD12 ' N ' ' A' ' 17' ' ' LEU . 7.7 mp -81.9 12.65 3.87 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 126.122 1.769 . . . . 0.0 111.101 -175.666 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -142.67 17.68 2.0 Favored 'General case' 0 CA--C 1.511 -0.53 0 C-N-CA 116.112 -2.235 . . . . 0.0 113.777 -155.011 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -131.04 71.11 82.52 Favored Pre-proline 0 N--CA 1.439 -1.016 0 O-C-N 123.632 0.583 . . . . 0.0 110.524 169.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -48.63 142.89 17.41 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 124.33 3.354 . . . . 0.0 112.142 167.204 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.214 0 C-N-CA 123.699 0.8 . . . . 0.0 109.594 179.094 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.7 t . . . . . 0 N--CA 1.464 0.25 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 46.0 m -55.83 -26.67 47.73 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 169.39 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -63.23 -64.77 0.81 Allowed 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 123.614 0.766 . . . . 0.0 111.614 177.182 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -79.54 -14.45 58.85 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 117.988 -1.485 . . . . 0.0 112.83 -163.262 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.38 -22.25 0.01 OUTLIER 'General case' 0 C--O 1.214 -0.777 0 C-N-CA 130.53 3.532 . . . . 0.0 112.877 169.33 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -110.6 24.56 12.81 Favored 'General case' 0 CA--C 1.504 -0.823 0 C-N-CA 127.285 2.234 . . . . 0.0 115.531 -175.707 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 mt -66.81 -49.99 64.05 Favored 'General case' 0 CA--C 1.513 -0.465 0 C-N-CA 115.403 -2.519 . . . . 0.0 109.066 -159.001 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.419 ' H ' HG11 ' A' ' 14' ' ' VAL . 2.3 mp -131.47 0.13 4.02 Favored 'General case' 0 C--N 1.315 -0.898 0 C-N-CA 127.671 2.388 . . . . 0.0 111.74 166.363 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.2 t70 171.86 158.61 0.24 Allowed Pre-proline 0 N--CA 1.479 1.015 0 C-N-CA 124.999 1.32 . . . . 0.0 110.128 -164.289 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER -29.84 -63.0 0.1 OUTLIER 'Trans proline' 0 C--N 1.351 0.692 1 C-N-CA 126.525 4.817 . . . . 0.0 117.182 162.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.43 ' HA ' ' HG2' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -145.43 46.21 1.3 Allowed 'General case' 0 CA--C 1.52 -0.212 0 C-N-CA 114.987 -2.685 . . . . 0.0 112.749 176.485 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.453 HG22 ' CD1' ' A' ' 18' ' ' TYR . 13.4 p -60.32 -32.66 51.43 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.371 0 CA-C-N 111.534 -2.575 . . . . 0.0 106.938 145.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.43 ' HG2' ' HA ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -45.42 -38.64 6.2 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 127.204 2.202 . . . . 0.0 110.039 -176.87 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.29 -36.8 91.83 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 124.226 0.917 . . . . 0.0 112.471 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.489 HD12 ' N ' ' A' ' 17' ' ' LEU . 6.9 mp -84.95 8.89 16.04 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 125.148 1.379 . . . . 0.0 110.341 -175.139 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.453 ' CD1' HG22 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -130.06 24.67 5.27 Favored 'General case' 0 CA--C 1.517 -0.321 0 C-N-CA 117.73 -1.588 . . . . 0.0 111.833 -154.002 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -131.7 70.87 81.18 Favored Pre-proline 0 N--CA 1.438 -1.031 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.83 169.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -47.41 132.4 19.64 Favored 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 124.349 3.366 . . . . 0.0 112.122 170.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.193 0 C-N-CA 123.832 0.853 . . . . 0.0 109.218 178.228 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 59.1 m . . . . . 0 N--CA 1.445 -0.69 0 CA-C-O 119.311 -0.375 . . . . 0.0 111.898 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 93.4 m -63.66 -30.95 71.99 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 172.535 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -66.19 -60.0 3.22 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-O 119.109 -0.472 . . . . 0.0 111.058 173.625 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -76.85 -15.1 59.81 Favored 'General case' 0 CA--C 1.515 -0.383 0 C-N-CA 117.302 -1.759 . . . . 0.0 113.37 -162.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -36.44 -49.17 0.71 Allowed 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 128.414 2.686 . . . . 0.0 107.435 172.391 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.89 34.6 1.51 Allowed 'General case' 0 N--CA 1.437 -1.119 1 C-N-CA 131.891 4.076 . . . . 0.0 114.482 -165.053 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.58 -31.02 71.84 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 114.79 -2.764 . . . . 0.0 109.638 -163.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 97.6 mt -136.15 0.68 2.62 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 127.166 2.187 . . . . 0.0 112.448 161.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 166.88 146.58 0.05 OUTLIER Pre-proline 0 CA--C 1.544 0.748 0 CA-C-O 116.207 -1.854 . . . . 0.0 108.596 -167.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -63.92 14.1 0.08 OUTLIER 'Trans proline' 0 N--CA 1.483 0.854 1 C-N-CA 125.574 4.182 . . . . 0.0 118.837 -165.415 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 46.2 mtp180 -153.82 43.94 0.57 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 122.423 2.374 . . . . 0.0 109.032 149.409 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.9 t -67.13 -32.05 55.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 166.477 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -27.54 -60.76 0.1 Allowed 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 129.522 3.129 . . . . 0.0 110.877 171.156 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.45 -25.17 68.37 Favored Glycine 0 CA--C 1.533 1.213 0 CA-C-N 119.913 1.233 . . . . 0.0 113.561 -172.14 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 mt -85.73 13.96 6.49 Favored 'General case' 0 CA--C 1.514 -0.43 0 C-N-CA 125.932 1.693 . . . . 0.0 111.6 176.18 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -160.08 36.25 0.18 Allowed 'General case' 0 CA--C 1.508 -0.651 0 C-N-CA 115.462 -2.495 . . . . 0.0 115.631 -158.232 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -129.74 72.23 81.98 Favored Pre-proline 0 N--CA 1.441 -0.88 0 O-C-N 123.78 0.675 . . . . 0.0 110.323 162.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -50.71 130.74 31.4 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 123.827 3.018 . . . . 0.0 112.187 171.113 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.189 0 C-N-CA 123.877 0.871 . . . . 0.0 109.476 179.204 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.401 ' HA ' ' CE1' ' A' ' 6' ' ' HIS . 14.9 t . . . . . 0 N--CA 1.456 -0.136 0 CA-C-O 119.442 -0.313 . . . . 0.0 111.541 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.0 m -58.89 -31.92 69.03 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 172.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -59.12 -54.99 40.74 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 123.987 0.915 . . . . 0.0 111.917 174.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.401 ' CE1' ' HA ' ' A' ' 3' ' ' THR . 1.6 p-80 -74.96 -23.02 58.23 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 117.988 -1.485 . . . . 0.0 112.8 -164.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.415 ' HG2' ' HA ' ' A' ' 12' ' ' PRO . 4.9 tt0 -50.16 -11.35 0.07 Allowed 'General case' 0 CA--C 1.549 0.94 1 C-N-CA 132.004 4.122 . . . . 0.0 111.289 169.57 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -113.17 18.26 18.07 Favored 'General case' 0 CA--C 1.503 -0.836 0 N-CA-C 117.847 2.536 . . . . 0.0 117.847 -178.36 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.502 HD23 ' HB3' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -66.96 -50.49 62.13 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 116.694 -2.002 . . . . 0.0 109.7 -162.403 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.646 ' H ' HG11 ' A' ' 14' ' ' VAL . 35.4 mt -142.36 4.37 1.58 Allowed 'General case' 0 C--N 1.313 -0.999 0 C-N-CA 129.025 2.93 . . . . 0.0 111.517 166.332 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.0 t70 175.33 159.07 0.39 Allowed Pre-proline 0 N--CA 1.478 0.967 0 C-N-CA 123.079 0.552 . . . . 0.0 110.777 -163.552 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.415 ' HA ' ' HG2' ' A' ' 7' ' ' GLN . 34.3 Cg_exo -50.11 -38.62 50.56 Favored 'Trans proline' 0 CA--C 1.503 -1.047 0 C-N-CA 124.49 3.46 . . . . 0.0 117.747 169.684 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.54 48.43 0.81 Allowed 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 113.054 -3.458 . . . . 0.0 112.706 168.415 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.646 HG11 ' H ' ' A' ' 10' ' ' LEU . 7.3 p -59.36 -29.19 41.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-N 112.224 -2.262 . . . . 0.0 108.177 150.334 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -39.73 -43.52 1.41 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 128.708 2.803 . . . . 0.0 111.321 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.52 -36.79 64.95 Favored Glycine 0 CA--C 1.539 1.543 0 CA-C-N 119.611 1.096 . . . . 0.0 113.536 179.21 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 mt -81.94 19.08 1.17 Allowed 'General case' 0 CA--C 1.516 -0.335 0 C-N-CA 127.64 2.376 . . . . 0.0 112.589 177.564 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.502 ' HB3' HD23 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -146.1 20.95 1.41 Allowed 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 114.947 -2.701 . . . . 0.0 114.144 -157.467 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -133.97 72.24 72.65 Favored Pre-proline 0 N--CA 1.439 -0.982 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.711 169.591 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -47.61 138.4 19.36 Favored 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 124.323 3.349 . . . . 0.0 112.675 171.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.191 0 C-N-CA 124.136 0.974 . . . . 0.0 109.625 -179.608 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 26.0 m . . . . . 0 N--CA 1.446 -0.657 0 N-CA-C 111.6 0.222 . . . . 0.0 111.6 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 23.6 m -62.98 -28.95 70.44 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 173.068 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -66.57 -56.8 9.1 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 118.447 -0.787 . . . . 0.0 111.556 172.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -74.08 -19.45 60.6 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 115.395 -2.522 . . . . 0.0 112.559 -161.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.29 -36.22 0.32 Allowed 'General case' 0 C--O 1.212 -0.911 0 C-N-CA 129.679 3.192 . . . . 0.0 109.471 169.688 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -102.56 19.2 19.48 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 128.197 2.599 . . . . 0.0 116.83 -164.422 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 mp -67.94 -40.97 83.2 Favored 'General case' 0 CA--C 1.515 -0.383 0 C-N-CA 114.858 -2.737 . . . . 0.0 110.908 -159.401 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.563 ' H ' HG11 ' A' ' 14' ' ' VAL . 94.7 mt -137.08 0.45 2.36 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 126.801 2.041 . . . . 0.0 112.953 168.116 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.572 ' O ' HG12 ' A' ' 14' ' ' VAL . 18.7 t70 170.71 138.7 0.08 OUTLIER Pre-proline 0 N--CA 1.474 0.769 0 CA-C-O 116.372 -1.775 . . . . 0.0 111.159 -162.415 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -34.53 -35.19 0.09 OUTLIER 'Trans proline' 0 CA--C 1.512 -0.612 1 C-N-CA 126.245 4.63 . . . . 0.0 117.334 174.643 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.3 mtm105 -147.08 48.81 1.13 Allowed 'General case' 0 C--N 1.339 0.147 0 C-N-CA 112.464 -3.694 . . . . 0.0 113.779 162.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.572 HG12 ' O ' ' A' ' 11' ' ' ASP . 10.7 p -65.93 -25.68 36.69 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.313 0 CA-C-N 114.974 -1.012 . . . . 0.0 108.886 154.782 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -35.7 -47.39 0.48 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 128.759 2.824 . . . . 0.0 111.118 177.133 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.6 -41.87 93.84 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 125.262 1.411 . . . . 0.0 112.803 177.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mt -70.58 19.61 0.05 OUTLIER 'General case' 0 CA--C 1.519 -0.236 0 C-N-CA 127.358 2.263 . . . . 0.0 113.017 169.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -145.98 25.07 1.3 Allowed 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 117.262 -1.775 . . . . 0.0 112.195 -166.188 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -129.64 70.91 82.14 Favored Pre-proline 0 N--CA 1.442 -0.832 0 C-N-CA 123.203 0.601 . . . . 0.0 109.702 168.268 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -46.33 126.3 9.9 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 124.554 3.503 . . . . 0.0 112.215 171.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.181 0 C-N-CA 124.272 1.029 . . . . 0.0 109.441 -179.086 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 N--CA 1.455 -0.217 0 CA-C-O 119.536 -0.269 . . . . 0.0 111.611 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.4 m -65.43 -30.47 71.27 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 171.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -62.3 -56.17 21.09 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 118.693 -0.67 . . . . 0.0 110.848 173.669 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.609 ' O ' HD23 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -76.15 -14.25 60.17 Favored 'General case' 0 C--O 1.222 -0.355 0 C-N-CA 115.86 -2.336 . . . . 0.0 112.518 -164.413 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -52.94 -15.22 0.71 Allowed 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 129.267 3.027 . . . . 0.0 110.457 169.356 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -112.1 32.11 5.76 Favored 'General case' 0 CA--C 1.508 -0.641 0 C-N-CA 127.401 2.28 . . . . 0.0 115.48 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.609 HD23 ' O ' ' A' ' 6' ' ' HIS . 0.3 OUTLIER -67.16 -46.39 74.15 Favored 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 114.295 -2.962 . . . . 0.0 108.845 -161.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.45 ' H ' HG11 ' A' ' 14' ' ' VAL . 28.9 mt -140.3 6.7 2.14 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 111.251 -2.704 . . . . 0.0 111.152 165.786 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.4 t70 172.5 155.37 0.24 Allowed Pre-proline 0 N--CA 1.478 0.941 0 C-N-CA 124.598 1.159 . . . . 0.0 110.174 -165.19 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -27.37 -63.77 0.07 OUTLIER 'Trans proline' 0 C--N 1.351 0.67 1 C-N-CA 126.373 4.715 . . . . 0.0 116.551 161.685 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.93 47.45 1.43 Allowed 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 113.981 -3.088 . . . . 0.0 113.704 175.54 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.45 HG11 ' H ' ' A' ' 10' ' ' LEU . 14.2 p -62.93 -25.77 39.3 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.386 0 CA-C-N 112.376 -2.193 . . . . 0.0 107.988 147.52 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.424 ' HB3' ' O ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -41.02 -36.45 0.68 Allowed 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 127.286 2.235 . . . . 0.0 110.769 176.189 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.63 -34.92 90.23 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 124.982 1.277 . . . . 0.0 113.249 178.666 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.45 HD12 ' N ' ' A' ' 17' ' ' LEU . 8.1 mp -78.64 9.03 4.42 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 126.54 1.936 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -133.52 21.03 3.94 Favored 'General case' 0 CA--C 1.511 -0.544 0 C-N-CA 118.133 -1.427 . . . . 0.0 113.104 -152.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -132.28 70.41 80.04 Favored Pre-proline 0 N--CA 1.442 -0.861 0 O-C-N 123.881 0.738 . . . . 0.0 111.393 168.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -56.81 158.32 17.19 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 123.833 3.022 . . . . 0.0 111.912 166.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.235 0 C-N-CA 123.362 0.665 . . . . 0.0 109.508 173.51 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.454 ' HA ' ' CE1' ' A' ' 6' ' ' HIS . 20.8 m . . . . . 0 N--CA 1.447 -0.617 0 CA-C-O 119.003 -0.522 . . . . 0.0 111.797 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.8 m -64.15 -29.36 70.48 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 169.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -71.41 -54.23 11.4 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 119.092 -0.48 . . . . 0.0 112.038 177.368 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.454 ' CE1' ' HA ' ' A' ' 3' ' ' THR . 1.6 p-80 -74.14 -21.1 60.01 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 117.701 -1.6 . . . . 0.0 112.466 -163.781 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -49.33 -13.78 0.08 Allowed 'General case' 0 CA--C 1.553 1.088 1 C-N-CA 132.027 4.131 . . . . 0.0 110.959 172.427 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -110.82 14.34 22.18 Favored 'General case' 0 CA--C 1.5 -0.956 0 N-CA-C 117.724 2.49 . . . . 0.0 117.724 -174.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.478 HD23 ' HB3' ' A' ' 18' ' ' TYR . 0.1 OUTLIER -67.86 -48.63 65.61 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 116.849 -1.94 . . . . 0.0 108.833 -162.529 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.776 ' H ' HG11 ' A' ' 14' ' ' VAL . 44.2 mt -141.92 4.18 1.66 Allowed 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 128.951 2.9 . . . . 0.0 111.28 162.562 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.61 ' O ' HG12 ' A' ' 14' ' ' VAL . 0.6 OUTLIER 170.04 155.5 0.19 Allowed Pre-proline 0 CA--C 1.546 0.817 0 C-N-CA 123.575 0.75 . . . . 0.0 111.29 -162.896 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_exo -51.16 -32.26 39.38 Favored 'Trans proline' 0 CA--C 1.499 -1.273 0 C-N-CA 125.105 3.87 . . . . 0.0 117.955 175.483 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.71 53.51 0.72 Allowed 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 112.576 -3.65 . . . . 0.0 111.344 165.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.776 HG11 ' H ' ' A' ' 10' ' ' LEU . 15.0 p -64.05 -25.19 37.53 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 CA-C-N 110.529 -3.032 . . . . 0.0 108.531 149.677 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 ppt_? -47.46 -41.3 20.25 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 128.447 2.699 . . . . 0.0 111.838 -173.324 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.99 -33.8 51.19 Favored Glycine 0 CA--C 1.538 1.523 0 C-N-CA 124.259 0.933 . . . . 0.0 113.149 177.614 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 mt -84.73 21.59 1.51 Allowed 'General case' 0 CA--C 1.518 -0.282 0 C-N-CA 127.592 2.357 . . . . 0.0 112.511 177.285 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.478 ' HB3' HD23 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -150.96 22.27 0.77 Allowed 'General case' 0 CA--C 1.511 -0.534 0 C-N-CA 115.528 -2.469 . . . . 0.0 114.808 -160.338 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -133.02 71.83 77.34 Favored Pre-proline 0 N--CA 1.438 -1.069 0 O-C-N 123.44 0.463 . . . . 0.0 109.854 167.485 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -49.99 128.24 21.54 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 124.138 3.225 . . . . 0.0 112.259 174.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.194 0 C-N-CA 124.076 0.95 . . . . 0.0 109.602 -179.573 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.7 t . . . . . 0 N--CA 1.456 -0.154 0 CA-C-O 119.724 -0.179 . . . . 0.0 111.398 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 20.5 m -65.66 -30.64 71.36 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 169.152 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -62.39 -55.68 25.6 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 118.312 -0.851 . . . . 0.0 111.012 176.438 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -69.48 -23.58 63.66 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 116.538 -2.065 . . . . 0.0 111.23 -167.175 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.418 ' O ' ' HA ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -55.62 1.04 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 129.959 3.303 . . . . 0.0 110.932 169.747 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -113.95 19.74 16.31 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 126.998 2.119 . . . . 0.0 115.375 172.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 mt -69.3 -53.95 17.08 Favored 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 116.259 -2.176 . . . . 0.0 109.363 -156.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 mp -127.68 7.14 6.22 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 127.266 2.227 . . . . 0.0 111.669 168.535 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 169.91 177.42 0.09 OUTLIER Pre-proline 0 N--CA 1.467 0.381 0 C-N-CA 125.782 1.633 . . . . 0.0 106.853 -166.264 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.418 ' HA ' ' O ' ' A' ' 7' ' ' GLN . 4.5 Cg_exo -31.35 -117.65 0.0 OUTLIER 'Trans proline' 0 CA--C 1.51 -0.713 1 C-N-CA 126.398 4.732 . . . . 0.0 115.743 143.89 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.1 mtm180 -103.01 36.99 2.06 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 116.317 -2.153 . . . . 0.0 112.033 -158.026 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.9 p -60.55 -27.33 40.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-N 111.92 -2.4 . . . . 0.0 108.696 155.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.4 -42.26 2.22 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.984 2.114 . . . . 0.0 110.452 176.428 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.0 -37.23 57.86 Favored Glycine 0 CA--C 1.53 0.971 0 C-N-CA 125.054 1.311 . . . . 0.0 112.499 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.503 HD12 ' N ' ' A' ' 17' ' ' LEU . 8.4 mp -84.75 15.96 3.57 Favored 'General case' 0 N--CA 1.44 -0.942 0 C-N-CA 125.945 1.698 . . . . 0.0 110.904 -172.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -140.69 20.64 2.34 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 117.406 -1.718 . . . . 0.0 112.074 -161.203 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -135.52 71.86 65.12 Favored Pre-proline 0 N--CA 1.434 -1.226 0 C-N-CA 123.871 0.868 . . . . 0.0 108.832 169.441 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -48.95 155.21 2.76 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 124.046 3.164 . . . . 0.0 112.327 170.086 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.196 0 C-N-CA 124.185 0.994 . . . . 0.0 109.695 -177.986 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.232 0.173 0 CA-C-O 119.002 -0.523 . . . . 0.0 112.293 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 34.5 m -74.03 -20.63 60.24 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 173.146 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -70.84 -59.56 2.73 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 119.59 -0.243 . . . . 0.0 110.387 169.114 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -75.28 -15.16 60.54 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 117.893 -1.523 . . . . 0.0 112.996 -161.549 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -29.12 -51.65 0.1 Allowed 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 130.491 3.516 . . . . 0.0 107.505 168.692 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.4 36.68 1.23 Allowed 'General case' 0 N--CA 1.436 -1.167 0 C-N-CA 131.499 3.919 . . . . 0.0 114.085 -166.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 15' ' ' ARG . 0.4 OUTLIER -65.99 -25.13 66.95 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 114.822 -2.751 . . . . 0.0 109.496 -165.385 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 90.4 mt -137.25 -5.0 1.86 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 127.741 2.417 . . . . 0.0 112.638 157.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 168.55 149.87 0.11 Allowed Pre-proline 0 CA--C 1.547 0.855 0 C-N-CA 126.493 1.917 . . . . 0.0 108.957 -166.513 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -60.16 4.03 0.2 Allowed 'Trans proline' 0 N--CA 1.481 0.784 1 C-N-CA 125.415 4.076 . . . . 0.0 119.275 -161.335 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.6 mtm-85 -148.87 41.4 0.93 Allowed 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 124.177 3.171 . . . . 0.0 110.024 153.337 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.1 t -67.48 -28.84 43.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 C-N-CA 125.274 1.43 . . . . 0.0 108.794 165.074 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.411 ' HA ' HD12 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -32.01 -50.58 0.22 Allowed 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 128.002 2.521 . . . . 0.0 111.468 169.383 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.29 -34.85 68.62 Favored Glycine 0 C--N 1.34 0.769 0 C-N-CA 124.385 0.993 . . . . 0.0 112.209 -175.464 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.521 HD12 ' N ' ' A' ' 17' ' ' LEU . 7.9 mp -86.36 19.07 2.9 Favored 'General case' 0 N--CA 1.435 -1.199 0 C-N-CA 124.883 1.273 . . . . 0.0 110.067 -171.62 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -149.32 14.96 0.89 Allowed 'General case' 0 C--N 1.343 0.312 0 C-N-CA 116.522 -2.071 . . . . 0.0 114.093 -160.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -133.01 74.71 73.34 Favored Pre-proline 0 N--CA 1.444 -0.759 0 C-N-CA 122.627 0.371 . . . . 0.0 110.794 172.117 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.79 144.48 76.59 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 123.691 2.928 . . . . 0.0 111.604 167.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.265 0 C-N-CA 123.627 0.771 . . . . 0.0 109.729 178.339 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 . . . . . 0 N--CA 1.475 0.78 0 CA-C-O 118.663 -0.684 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -57.46 -17.08 11.49 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.292 0.951 . . . . 0.0 112.179 171.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.2 m -75.27 -34.87 61.39 Favored 'General case' 0 N--CA 1.446 -0.667 0 O-C-N 121.248 -0.908 . . . . 0.0 111.489 176.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 49.0 m -67.98 -26.92 66.16 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 174.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -69.23 -59.22 3.16 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 119.031 -0.509 . . . . 0.0 110.735 170.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -73.72 -16.7 61.18 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 117.11 -1.836 . . . . 0.0 113.211 -162.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -33.1 -50.28 0.28 Allowed 'General case' 0 C--O 1.221 -0.406 0 C-N-CA 129.344 3.058 . . . . 0.0 107.112 169.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.33 36.66 1.32 Allowed 'General case' 0 N--CA 1.436 -1.129 1 C-N-CA 131.758 4.023 . . . . 0.0 114.426 -166.127 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.06 -29.61 69.98 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 114.507 -2.877 . . . . 0.0 109.397 -164.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 35.1 mt -139.46 3.32 2.11 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 127.431 2.292 . . . . 0.0 112.133 161.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 166.5 143.74 0.05 OUTLIER Pre-proline 0 CA--C 1.544 0.747 0 CA-C-O 116.074 -1.917 . . . . 0.0 108.053 -168.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -50.48 -0.88 0.04 OUTLIER 'Trans proline' 0 N--CA 1.489 1.237 1 C-N-CA 128.217 5.945 . . . . 0.0 120.6 -172.261 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.0 mtm180 -150.15 44.4 0.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 114.846 -2.742 . . . . 0.0 110.552 154.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 56.1 t -66.9 -31.64 54.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 114.415 -1.266 . . . . 0.0 108.263 164.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -29.4 -59.54 0.15 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 129.198 2.999 . . . . 0.0 110.974 172.219 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.64 -24.59 69.72 Favored Glycine 0 CA--C 1.532 1.118 0 CA-C-N 119.71 1.141 . . . . 0.0 113.466 -172.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 mt -84.14 16.43 2.96 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 125.528 1.531 . . . . 0.0 111.615 176.094 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -160.2 30.45 0.17 Allowed 'General case' 0 CA--C 1.511 -0.52 0 C-N-CA 115.392 -2.523 . . . . 0.0 115.543 -159.445 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -129.35 71.13 82.07 Favored Pre-proline 0 N--CA 1.442 -0.857 0 O-C-N 123.539 0.525 . . . . 0.0 110.352 164.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -45.88 122.0 4.75 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 124.54 3.493 . . . . 0.0 111.775 167.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.08 61.0 6.6 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.958 0.903 . . . . 0.0 109.648 -176.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 178.24 69.05 0.06 OUTLIER Glycine 0 CA--C 1.525 0.698 0 N-CA-C 109.701 -1.359 . . . . 0.0 109.701 -178.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.108 0 CA-C-O 117.355 -1.803 . . . . 0.0 109.862 177.856 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 N--CA 1.474 0.728 0 CA-C-O 118.654 -0.689 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 m -53.26 -25.76 15.67 Favored 'General case' 0 C--N 1.346 0.447 0 CA-C-N 119.129 0.877 . . . . 0.0 112.055 169.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 86.0 m -77.62 -34.77 53.2 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 123.911 0.884 . . . . 0.0 112.245 -178.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.2 m -67.19 -28.11 67.82 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 170.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -67.03 -63.56 1.03 Allowed 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 118.007 -0.997 . . . . 0.0 111.018 175.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -78.55 -9.53 59.38 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 115.313 -2.555 . . . . 0.0 113.048 -162.584 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -29.36 -40.34 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.039 0 C-N-CA 130.819 3.647 . . . . 0.0 110.562 168.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -100.26 24.46 8.73 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 126.704 2.002 . . . . 0.0 115.967 -167.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 mt -67.21 -40.09 86.39 Favored 'General case' 0 CA--C 1.517 -0.308 0 C-N-CA 115.641 -2.424 . . . . 0.0 110.263 -161.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.503 ' H ' HG11 ' A' ' 14' ' ' VAL . 42.2 mt -140.84 -2.52 1.33 Allowed 'General case' 0 C--N 1.317 -0.838 0 C-N-CA 127.35 2.26 . . . . 0.0 112.654 164.489 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.603 ' O ' HG12 ' A' ' 14' ' ' VAL . 0.6 OUTLIER 168.9 144.4 0.07 OUTLIER Pre-proline 0 N--CA 1.477 0.891 0 CA-C-O 117.559 -1.21 . . . . 0.0 110.725 -165.678 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -36.46 -43.07 0.76 Allowed 'Trans proline' 0 C--N 1.35 0.634 1 C-N-CA 126.046 4.497 . . . . 0.0 118.395 -174.28 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.421 ' HA ' ' HG2' ' A' ' 15' ' ' ARG . 0.4 OUTLIER -144.72 47.54 1.35 Allowed 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 114.578 -2.849 . . . . 0.0 111.875 167.504 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.603 HG12 ' O ' ' A' ' 11' ' ' ASP . 7.2 p -62.75 -25.27 37.86 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-N 112.51 -2.132 . . . . 0.0 108.642 150.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.421 ' HG2' ' HA ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -56.0 -41.72 75.27 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 126.812 2.045 . . . . 0.0 110.086 -167.508 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.28 -32.76 64.14 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 124.341 0.972 . . . . 0.0 112.881 175.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 mt -81.52 21.68 0.77 Allowed 'General case' 0 C--N 1.34 0.178 0 C-N-CA 125.966 1.707 . . . . 0.0 112.284 174.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -146.46 25.8 1.19 Allowed 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 116.684 -2.006 . . . . 0.0 112.371 -164.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -133.2 73.96 73.57 Favored Pre-proline 0 N--CA 1.441 -0.889 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 168.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -49.74 127.24 18.33 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.928 3.085 . . . . 0.0 112.244 175.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.36 62.25 7.37 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 124.27 1.028 . . . . 0.0 109.411 -178.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -162.91 69.24 0.22 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.271 0 CA-C-O 117.546 -1.697 . . . . 0.0 110.079 179.633 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 . . . . . 0 N--CA 1.474 0.752 0 CA-C-O 118.813 -0.613 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -58.34 -30.45 66.73 Favored 'General case' 0 C--N 1.347 0.481 0 CA-C-N 119.143 0.883 . . . . 0.0 112.387 -178.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.6 t -84.49 -35.59 22.83 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 118.458 0.572 . . . . 0.0 111.142 -173.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.2 m -64.7 -31.46 72.7 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 170.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -66.36 -59.4 3.73 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 118.764 -0.636 . . . . 0.0 110.789 174.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.63 ' O ' HD23 ' A' ' 9' ' ' LEU . 1.1 p-80 -77.68 -11.57 59.88 Favored 'General case' 0 C--O 1.221 -0.397 0 C-N-CA 116.086 -2.246 . . . . 0.0 113.098 -162.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.9 -39.25 1.77 Allowed 'General case' 0 C--O 1.212 -0.907 0 C-N-CA 128.046 2.538 . . . . 0.0 108.456 169.063 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -100.28 31.97 3.19 Favored 'General case' 0 N--CA 1.441 -0.911 0 C-N-CA 128.888 2.875 . . . . 0.0 114.691 -166.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.63 HD23 ' O ' ' A' ' 6' ' ' HIS . 0.2 OUTLIER -65.42 -42.82 92.1 Favored 'General case' 0 CA--C 1.519 -0.245 0 C-N-CA 114.684 -2.806 . . . . 0.0 109.231 -162.318 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.409 ' H ' ' CG1' ' A' ' 14' ' ' VAL . 46.0 mt -141.57 3.52 1.69 Allowed 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 128.482 2.713 . . . . 0.0 111.97 165.315 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.556 ' O ' HG12 ' A' ' 14' ' ' VAL . 18.5 t70 171.74 136.86 0.09 OUTLIER Pre-proline 0 N--CA 1.474 0.773 0 CA-C-O 116.215 -1.85 . . . . 0.0 110.75 -163.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -32.21 -36.88 0.06 OUTLIER 'Trans proline' 0 C--N 1.351 0.69 1 C-N-CA 126.796 4.997 . . . . 0.0 117.51 177.445 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -147.72 49.2 1.08 Allowed 'General case' 0 C--N 1.34 0.174 0 C-N-CA 112.361 -3.736 . . . . 0.0 113.654 162.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.556 HG12 ' O ' ' A' ' 11' ' ' ASP . 12.2 p -66.5 -26.27 37.18 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-N 114.937 -1.029 . . . . 0.0 108.587 154.349 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.455 ' HB3' ' O ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -33.79 -46.15 0.21 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 129.382 3.073 . . . . 0.0 112.041 177.023 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.13 -34.42 87.96 Favored Glycine 0 CA--C 1.541 1.703 0 CA-C-N 119.674 1.124 . . . . 0.0 113.124 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mt -76.01 21.04 0.17 Allowed 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 127.586 2.354 . . . . 0.0 112.396 170.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -146.62 24.59 1.22 Allowed 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 116.702 -1.999 . . . . 0.0 112.785 -162.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -131.17 72.32 81.49 Favored Pre-proline 0 N--CA 1.441 -0.917 0 O-C-N 123.7 0.625 . . . . 0.0 110.269 169.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -46.27 125.91 9.34 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 124.331 3.354 . . . . 0.0 111.864 168.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.43 61.14 6.65 Favored 'General case' 0 C--N 1.339 0.139 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.57 45.76 92.8 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 -169.193 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.132 0 CA-C-O 117.078 -1.957 . . . . 0.0 109.463 -171.1 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 30.4 t-20 . . . . . 0 N--CA 1.475 0.823 0 CA-C-O 118.341 -0.838 . . . . 0.0 109.634 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.1 p -47.94 -32.83 6.87 Favored 'General case' 0 C--N 1.347 0.496 0 CA-C-N 119.789 1.177 . . . . 0.0 112.463 170.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 61.0 m -80.53 -34.89 35.19 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 123.843 0.857 . . . . 0.0 111.699 -177.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.9 m -63.41 -32.92 74.49 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 170.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -68.5 -58.72 3.89 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 119.045 -0.502 . . . . 0.0 111.344 176.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -73.91 -25.47 60.01 Favored 'General case' 0 CA--C 1.513 -0.453 0 C-N-CA 117.014 -1.874 . . . . 0.0 112.8 -163.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -36.83 -41.03 0.3 Allowed 'General case' 0 C--O 1.212 -0.903 0 C-N-CA 128.969 2.908 . . . . 0.0 108.067 174.062 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.8 21.79 7.11 Favored 'General case' 0 N--CA 1.439 -0.978 0 C-N-CA 129.375 3.07 . . . . 0.0 116.006 -164.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.538 HD23 ' HB3' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -63.59 -44.92 92.6 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 116.811 -1.956 . . . . 0.0 110.638 -163.598 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.579 ' H ' HG11 ' A' ' 14' ' ' VAL . 46.4 mt -141.98 0.13 1.36 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 111.807 -2.451 . . . . 0.0 112.497 167.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.762 ' O ' HG12 ' A' ' 14' ' ' VAL . 10.1 t70 167.92 134.57 0.04 OUTLIER Pre-proline 0 N--CA 1.476 0.868 0 CA-C-O 116.431 -1.747 . . . . 0.0 110.56 -161.669 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -33.45 -35.18 0.07 OUTLIER 'Trans proline' 0 CA--C 1.513 -0.549 1 C-N-CA 126.528 4.819 . . . . 0.0 118.178 -178.174 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -145.01 47.65 1.32 Allowed 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 113.294 -3.363 . . . . 0.0 113.414 166.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.762 HG12 ' O ' ' A' ' 11' ' ' ASP . 7.7 p -65.84 -25.96 37.52 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 CA-C-N 114.061 -1.427 . . . . 0.0 108.902 154.608 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.5 -43.42 1.84 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 128.631 2.773 . . . . 0.0 110.908 -179.583 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.8 -37.22 76.31 Favored Glycine 0 CA--C 1.538 1.525 0 C-N-CA 124.699 1.142 . . . . 0.0 113.449 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mt -79.79 19.1 0.7 Allowed 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 127.726 2.41 . . . . 0.0 112.692 177.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.538 ' HB3' HD23 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -145.83 19.74 1.46 Allowed 'General case' 0 CA--C 1.513 -0.46 0 C-N-CA 114.992 -2.683 . . . . 0.0 114.113 -157.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -133.55 71.38 75.59 Favored Pre-proline 0 N--CA 1.438 -1.072 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.851 170.499 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_exo -46.36 110.06 0.25 Allowed 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 124.726 3.617 . . . . 0.0 112.478 173.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.23 60.68 6.38 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 124.154 0.982 . . . . 0.0 109.452 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 176.25 68.69 0.06 OUTLIER Glycine 0 CA--C 1.525 0.705 0 N-CA-C 109.804 -1.318 . . . . 0.0 109.804 -177.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.176 0 CA-C-O 116.996 -2.002 . . . . 0.0 109.901 177.405 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 . . . . . 0 CA--C 1.546 0.789 0 CA-C-O 118.736 -0.65 . . . . 0.0 109.248 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.4 m -66.6 -10.19 43.04 Favored 'General case' 0 C--N 1.348 0.524 0 CA-C-N 120.344 1.429 . . . . 0.0 112.753 -175.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.4 m -81.52 -35.14 30.71 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 119.438 1.017 . . . . 0.0 111.794 -175.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 89.7 m -65.71 -28.68 69.23 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 172.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -68.98 -61.04 1.96 Allowed 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 119.268 -0.396 . . . . 0.0 110.955 173.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -77.34 -17.39 58.3 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 118.011 -1.475 . . . . 0.0 113.269 -162.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -32.01 -50.63 0.22 Allowed 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 129.006 2.922 . . . . 0.0 107.377 171.491 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.85 35.74 1.23 Allowed 'General case' 0 N--CA 1.435 -1.179 1 C-N-CA 132.124 4.169 . . . . 0.0 114.281 -165.607 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.91 -25.85 67.34 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 114.847 -2.741 . . . . 0.0 109.35 -165.072 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.4 mt -140.57 0.77 1.68 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 127.896 2.478 . . . . 0.0 112.38 158.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 166.68 148.09 0.06 OUTLIER Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 126.455 1.902 . . . . 0.0 108.703 -168.466 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -61.26 8.98 0.08 OUTLIER 'Trans proline' 0 N--CA 1.485 0.996 1 C-N-CA 125.896 4.397 . . . . 0.0 119.45 -163.548 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.0 mtp180 -151.23 41.47 0.73 Allowed 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 123.392 2.814 . . . . 0.0 109.331 151.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.1 t -67.06 -30.63 50.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 C-N-CA 125.01 1.324 . . . . 0.0 108.39 166.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -29.94 -49.09 0.1 Allowed 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 128.051 2.541 . . . . 0.0 111.056 168.673 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.63 -34.95 88.29 Favored Glycine 0 CA--C 1.53 1.031 0 C-N-CA 123.888 0.756 . . . . 0.0 112.323 -174.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.484 HD12 ' N ' ' A' ' 17' ' ' LEU . 8.9 mp -86.67 16.54 4.63 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 125.021 1.328 . . . . 0.0 110.859 -175.23 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -145.38 16.9 1.51 Allowed 'General case' 0 CA--C 1.517 -0.318 0 C-N-CA 116.361 -2.136 . . . . 0.0 113.635 -159.53 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -132.95 71.8 77.57 Favored Pre-proline 0 N--CA 1.44 -0.946 0 C-N-CA 123.061 0.544 . . . . 0.0 109.828 169.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -54.68 135.25 66.41 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.498 2.799 . . . . 0.0 111.974 175.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.36 63.02 7.85 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.709 0.803 . . . . 0.0 109.418 177.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.91 -58.77 7.76 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 179.039 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.263 0 CA-C-O 117.121 -1.933 . . . . 0.0 109.865 174.49 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 . . . . . 0 CA--C 1.548 0.882 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.5 m -64.99 -11.26 36.81 Favored 'General case' 0 C--N 1.347 0.485 0 CA-C-N 119.964 1.257 . . . . 0.0 113.737 -169.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.2 t -81.67 -33.19 31.42 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 119.483 1.038 . . . . 0.0 111.133 -177.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 77.4 m -66.7 -27.01 67.3 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 169.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -68.74 -59.09 3.34 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 118.784 -0.627 . . . . 0.0 110.47 173.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.645 ' O ' HD23 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -78.75 -11.53 59.99 Favored 'General case' 0 C--O 1.225 -0.228 0 C-N-CA 116.008 -2.277 . . . . 0.0 113.074 -162.77 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.14 -44.62 1.85 Allowed 'General case' 0 C--O 1.216 -0.693 0 C-N-CA 127.935 2.494 . . . . 0.0 107.13 169.579 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.32 31.25 2.0 Allowed 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 129.175 2.99 . . . . 0.0 114.485 -164.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.645 HD23 ' O ' ' A' ' 6' ' ' HIS . 0.2 OUTLIER -66.62 -44.28 82.46 Favored 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 114.977 -2.689 . . . . 0.0 108.694 -163.465 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.515 ' H ' HG11 ' A' ' 14' ' ' VAL . 85.7 mt -134.33 -5.39 2.63 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 111.454 -2.612 . . . . 0.0 113.077 166.443 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.702 ' O ' HG12 ' A' ' 14' ' ' VAL . 0.4 OUTLIER 168.52 137.6 0.05 OUTLIER Pre-proline 0 N--CA 1.472 0.665 0 CA-C-O 116.746 -1.597 . . . . 0.0 110.347 -163.661 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -31.9 -39.65 0.08 OUTLIER 'Trans proline' 0 C--N 1.349 0.594 1 C-N-CA 127.331 5.354 . . . . 0.0 118.544 -175.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.06 50.71 1.41 Allowed 'General case' 0 C--N 1.338 0.083 0 C-N-CA 113.176 -3.41 . . . . 0.0 113.101 166.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.702 HG12 ' O ' ' A' ' 11' ' ' ASP . 13.5 p -69.9 -25.38 27.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-N 113.257 -1.792 . . . . 0.0 108.909 153.483 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.455 ' HB3' ' O ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -38.39 -44.66 0.93 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 129.385 3.074 . . . . 0.0 111.746 -178.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.7 -40.43 79.58 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 124.763 1.173 . . . . 0.0 112.997 178.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 mt -74.24 20.92 0.1 Allowed 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 127.826 2.451 . . . . 0.0 112.534 171.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -146.87 25.26 1.16 Allowed 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 116.723 -1.991 . . . . 0.0 112.676 -163.411 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -131.33 72.62 80.87 Favored Pre-proline 0 N--CA 1.441 -0.905 0 O-C-N 123.747 0.654 . . . . 0.0 110.224 168.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -52.08 121.66 9.22 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 123.735 2.957 . . . . 0.0 111.698 172.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.34 62.43 7.48 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.026 0.93 . . . . 0.0 109.209 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -81.25 59.49 4.78 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 125.265 1.412 . . . . 0.0 109.957 179.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.149 0 CA-C-O 116.988 -2.006 . . . . 0.0 109.428 -174.214 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 N--CA 1.475 0.779 0 CA-C-O 118.689 -0.672 . . . . 0.0 110.361 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.2 p -52.83 -24.77 9.67 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 119.079 0.854 . . . . 0.0 112.248 168.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.421 ' HA ' ' CE1' ' A' ' 6' ' ' HIS . 65.5 m -78.85 -46.49 18.51 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 124.423 1.089 . . . . 0.0 111.995 -177.707 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 55.8 m -59.73 -31.98 70.12 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 173.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -67.45 -53.28 30.36 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 118.995 -0.526 . . . . 0.0 111.868 176.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.421 ' CE1' ' HA ' ' A' ' 3' ' ' THR . 1.5 p-80 -73.93 -17.86 60.97 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 117.561 -1.656 . . . . 0.0 112.653 -165.713 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -51.38 -11.49 0.12 Allowed 'General case' 0 CA--C 1.552 1.047 1 C-N-CA 132.076 4.15 . . . . 0.0 111.234 170.268 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -115.84 15.96 16.3 Favored 'General case' 0 CA--C 1.499 -1.01 0 N-CA-C 118.998 2.962 . . . . 0.0 118.998 -175.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.468 HD23 ' HB3' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -67.23 -52.2 43.91 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 116.551 -2.06 . . . . 0.0 109.031 -162.471 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.677 ' H ' HG11 ' A' ' 14' ' ' VAL . 95.5 mt -138.75 3.53 2.27 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 129.081 2.952 . . . . 0.0 111.561 165.016 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 21.0 t70 173.68 159.82 0.31 Allowed Pre-proline 0 N--CA 1.475 0.802 0 C-N-CA 123.891 0.877 . . . . 0.0 110.718 -162.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -55.25 -33.56 85.14 Favored 'Trans proline' 0 CA--C 1.498 -1.314 0 C-N-CA 124.199 3.266 . . . . 0.0 118.194 170.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.84 53.51 0.71 Allowed 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 112.041 -3.863 . . . . 0.0 112.385 166.279 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.677 HG11 ' H ' ' A' ' 10' ' ' LEU . 7.6 p -63.05 -28.6 45.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 110.728 -2.942 . . . . 0.0 108.323 149.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.1 ppt_? -40.56 -40.51 1.27 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 128.979 2.912 . . . . 0.0 112.417 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.43 -30.56 61.91 Favored Glycine 0 CA--C 1.541 1.714 0 CA-C-N 119.744 1.157 . . . . 0.0 113.254 179.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 mt -88.34 17.83 4.93 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 127.71 2.404 . . . . 0.0 112.588 177.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.468 ' HB3' HD23 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -145.72 22.42 1.44 Allowed 'General case' 0 CA--C 1.513 -0.479 0 C-N-CA 114.584 -2.847 . . . . 0.0 114.451 -155.14 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -135.19 72.5 66.43 Favored Pre-proline 0 N--CA 1.439 -0.997 0 O-C-N 123.619 0.574 . . . . 0.0 109.873 168.555 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -51.52 114.49 1.6 Allowed 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 123.819 3.013 . . . . 0.0 112.04 175.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.27 60.23 6.11 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.037 0.935 . . . . 0.0 109.598 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 168.92 64.54 0.03 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 109.881 -1.288 . . . . 0.0 109.881 -178.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.17 0 CA-C-O 116.843 -2.087 . . . . 0.0 110.02 -179.76 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 . . . . . 0 N--CA 1.474 0.755 0 CA-C-O 118.228 -0.891 . . . . 0.0 109.862 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.9 t -51.22 -34.87 34.07 Favored 'General case' 0 C--N 1.349 0.58 0 CA-C-N 119.817 1.19 . . . . 0.0 111.781 173.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.3 m -60.48 -24.01 64.94 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.098 1.359 . . . . 0.0 113.193 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 54.3 m -62.25 -27.28 68.89 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 118.826 0.739 . . . . 0.0 109.691 174.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -67.38 -58.31 5.02 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-O 119.131 -0.461 . . . . 0.0 110.842 175.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.648 ' O ' HD23 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -79.45 -11.94 59.9 Favored 'General case' 0 C--O 1.223 -0.322 0 C-N-CA 116.324 -2.151 . . . . 0.0 113.099 -162.417 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.62 -39.48 2.37 Favored 'General case' 0 C--O 1.212 -0.91 0 C-N-CA 128.066 2.546 . . . . 0.0 108.297 169.623 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.44 31.35 3.17 Favored 'General case' 0 N--CA 1.441 -0.909 0 C-N-CA 129.087 2.955 . . . . 0.0 114.665 -166.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.648 HD23 ' O ' ' A' ' 6' ' ' HIS . 0.2 OUTLIER -65.51 -42.85 91.6 Favored 'General case' 0 CA--C 1.52 -0.191 0 C-N-CA 114.802 -2.759 . . . . 0.0 109.133 -162.456 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.416 ' H ' HG11 ' A' ' 14' ' ' VAL . 46.5 mt -141.38 2.65 1.67 Allowed 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 128.3 2.64 . . . . 0.0 112.173 165.725 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.574 ' O ' HG12 ' A' ' 14' ' ' VAL . 17.3 t70 171.96 136.22 0.09 OUTLIER Pre-proline 0 N--CA 1.475 0.811 0 CA-C-O 116.134 -1.889 . . . . 0.0 110.717 -163.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -33.65 -34.25 0.07 OUTLIER 'Trans proline' 0 C--N 1.351 0.697 1 C-N-CA 126.85 5.033 . . . . 0.0 117.725 178.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -147.41 48.75 1.1 Allowed 'General case' 0 C--N 1.339 0.14 0 C-N-CA 112.414 -3.714 . . . . 0.0 113.589 162.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.574 HG12 ' O ' ' A' ' 11' ' ' ASP . 10.9 p -67.17 -27.58 39.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-N 115.103 -0.953 . . . . 0.0 108.617 155.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.472 ' HB3' ' O ' ' A' ' 6' ' ' HIS . 0.1 OUTLIER -32.04 -47.03 0.13 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 129.447 3.099 . . . . 0.0 112.061 176.595 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.75 -40.14 92.39 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 124.856 1.217 . . . . 0.0 112.847 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 mt -73.2 20.98 0.08 Allowed 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 127.743 2.417 . . . . 0.0 112.742 170.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -145.62 25.36 1.33 Allowed 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 116.848 -1.941 . . . . 0.0 112.375 -164.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -133.74 71.96 74.02 Favored Pre-proline 0 N--CA 1.441 -0.896 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.158 168.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -50.48 159.32 2.16 Favored 'Trans proline' 0 CA--C 1.533 0.464 0 C-N-CA 124.461 3.441 . . . . 0.0 113.152 169.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.94 60.84 6.06 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.056 0.942 . . . . 0.0 109.818 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 170.72 -59.53 0.18 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.245 -1.142 . . . . 0.0 110.245 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.195 0 CA-C-O 117.333 -1.815 . . . . 0.0 109.035 178.684 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 . . . . . 0 N--CA 1.474 0.732 0 CA-C-O 118.812 -0.613 . . . . 0.0 109.853 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.5 t -57.0 -39.62 75.03 Favored 'General case' 0 C--N 1.346 0.455 0 CA-C-N 119.183 0.902 . . . . 0.0 112.186 -177.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.7 t -74.86 -28.1 60.53 Favored 'General case' 0 C--N 1.333 -0.14 0 O-C-N 121.781 -0.574 . . . . 0.0 111.979 -174.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.1 m -66.98 -22.5 65.92 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 174.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -72.44 -54.57 8.96 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 118.306 0.503 . . . . 0.0 110.92 173.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.642 ' O ' HD23 ' A' ' 9' ' ' LEU . 1.1 p-80 -76.55 -10.2 59.22 Favored 'General case' 0 C--O 1.224 -0.284 0 C-N-CA 116.683 -2.007 . . . . 0.0 113.682 -162.589 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -36.29 -47.41 0.59 Allowed 'General case' 0 N--CA 1.438 -1.029 1 C-N-CA 132.03 4.132 . . . . 0.0 107.833 163.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -101.58 39.54 1.43 Allowed 'General case' 0 CA--C 1.503 -0.839 0 C-N-CA 130.875 3.67 . . . . 0.0 115.712 -166.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.642 HD23 ' O ' ' A' ' 6' ' ' HIS . 0.2 OUTLIER -65.0 -31.0 72.03 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 114.147 -3.021 . . . . 0.0 110.063 -164.735 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.7 mt -138.44 1.14 2.14 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.98 2.112 . . . . 0.0 112.222 161.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 168.03 151.58 0.11 Allowed Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 125.906 1.682 . . . . 0.0 108.393 -169.027 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -52.28 -14.14 2.62 Favored 'Trans proline' 0 CA--C 1.505 -0.973 1 C-N-CA 126.457 4.771 . . . . 0.0 120.566 -169.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.527 ' HA ' ' HG2' ' A' ' 15' ' ' ARG . 8.9 mtm105 -144.68 47.54 1.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 112.546 -3.662 . . . . 0.0 111.018 156.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.5 t -67.35 -22.54 29.03 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.827 0 CA-C-N 112.161 -2.291 . . . . 0.0 107.599 156.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.527 ' HG2' ' HA ' ' A' ' 13' ' ' ARG . 4.9 ptm180 -44.18 -43.81 7.35 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.71 1.604 . . . . 0.0 110.628 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.65 -36.35 39.76 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 125.109 1.337 . . . . 0.0 113.433 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.465 HD12 ' N ' ' A' ' 17' ' ' LEU . 7.8 mp -86.72 12.3 11.07 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 125.578 1.551 . . . . 0.0 110.83 -172.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.404 ' CD1' HD12 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -141.38 23.16 2.17 Favored 'General case' 0 CA--C 1.511 -0.529 0 C-N-CA 116.353 -2.139 . . . . 0.0 113.203 -155.05 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -134.01 73.52 70.41 Favored Pre-proline 0 N--CA 1.438 -1.042 0 O-C-N 123.499 0.5 . . . . 0.0 110.228 169.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -50.59 132.85 36.98 Favored 'Trans proline' 0 N--CA 1.456 -0.717 0 C-N-CA 123.721 2.947 . . . . 0.0 111.503 170.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.33 62.21 7.05 Favored 'General case' 0 C--N 1.339 0.118 0 C-N-CA 124.015 0.926 . . . . 0.0 108.849 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.94 50.39 66.14 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 108.525 -1.83 . . . . 0.0 108.525 -169.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.213 0 CA-C-O 117.172 -1.905 . . . . 0.0 109.418 -169.677 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 . . . . . 0 CA--C 1.55 0.95 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.1 t -66.51 -4.62 8.83 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-N 120.086 1.312 . . . . 0.0 112.924 -172.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.9 t -85.49 -28.17 25.17 Favored 'General case' 0 N--CA 1.452 -0.339 0 O-C-N 121.305 -0.872 . . . . 0.0 111.836 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.2 m -63.46 -33.88 76.54 Favored 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 168.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -65.35 -60.94 2.44 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 118.84 -0.6 . . . . 0.0 110.871 178.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -76.21 -21.67 56.17 Favored 'General case' 0 CA--C 1.514 -0.408 0 C-N-CA 116.727 -1.989 . . . . 0.0 113.195 -163.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -32.59 -43.03 0.08 Allowed 'General case' 0 C--O 1.211 -0.938 0 C-N-CA 129.255 3.022 . . . . 0.0 109.4 172.576 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -98.96 28.62 4.26 Favored 'General case' 0 N--CA 1.434 -1.258 0 C-N-CA 130.322 3.449 . . . . 0.0 114.83 -165.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.02 -46.81 82.8 Favored 'General case' 0 CA--C 1.521 -0.136 0 C-N-CA 115.679 -2.408 . . . . 0.0 108.508 -160.667 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.437 ' H ' HG11 ' A' ' 14' ' ' VAL . 2.1 mp -133.75 -4.46 2.87 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 129.455 3.102 . . . . 0.0 112.811 163.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.57 ' O ' HG12 ' A' ' 14' ' ' VAL . 16.7 t70 178.32 135.45 0.23 Allowed Pre-proline 0 N--CA 1.471 0.618 0 CA-C-O 116.304 -1.808 . . . . 0.0 110.95 -162.456 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -36.15 -32.52 0.11 Allowed 'Trans proline' 0 C--N 1.348 0.517 1 C-N-CA 126.149 4.566 . . . . 0.0 117.473 -178.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -147.04 49.44 1.12 Allowed 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 112.671 -3.612 . . . . 0.0 113.871 161.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.57 HG12 ' O ' ' A' ' 11' ' ' ASP . 7.1 p -65.34 -31.78 55.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 155.393 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -32.89 -48.67 0.21 Allowed 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 127.547 2.339 . . . . 0.0 110.556 173.506 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.74 -18.82 77.66 Favored Glycine 0 CA--C 1.529 0.912 0 C-N-CA 124.856 1.217 . . . . 0.0 113.496 -169.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.662 ' N ' HD23 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -89.77 3.85 51.53 Favored 'General case' 0 N--CA 1.434 -1.259 0 CA-C-N 119.284 1.542 . . . . 0.0 109.267 -178.009 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -147.8 36.76 0.87 Allowed 'General case' 0 CA--C 1.507 -0.694 0 N-CA-C 116.477 2.029 . . . . 0.0 116.477 -144.187 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -128.27 72.77 79.98 Favored Pre-proline 0 N--CA 1.442 -0.845 0 C-N-CA 120.026 -0.67 . . . . 0.0 110.241 163.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -48.85 127.99 17.95 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 123.872 3.048 . . . . 0.0 112.117 171.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.29 62.95 7.81 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 124.402 1.081 . . . . 0.0 109.294 -178.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -81.2 59.79 4.75 Favored Glycine 0 CA--C 1.527 0.812 0 C-N-CA 125.281 1.419 . . . . 0.0 109.986 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.292 0 CA-C-O 117.125 -1.93 . . . . 0.0 110.056 -176.006 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 12.3 p30 . . . . . 0 CA--C 1.546 0.809 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.9 p -69.33 -3.33 13.64 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.347 1.059 . . . . 0.0 113.822 -171.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.2 t -86.38 -24.46 25.77 Favored 'General case' 0 N--CA 1.456 -0.125 0 CA-C-N 119.269 0.941 . . . . 0.0 111.521 177.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 51.6 m -64.59 -26.8 68.56 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 169.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -68.37 -58.95 3.57 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 119.071 -0.49 . . . . 0.0 110.951 176.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -74.54 -16.07 60.84 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 116.929 -1.908 . . . . 0.0 112.988 -164.088 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -37.02 -37.12 0.14 Allowed 'General case' 0 N--CA 1.435 -1.198 0 C-N-CA 129.897 3.279 . . . . 0.0 109.185 165.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -100.62 30.68 3.83 Favored 'General case' 0 CA--C 1.505 -0.773 0 C-N-CA 126.851 2.061 . . . . 0.0 114.391 -170.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.58 -45.31 65.6 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 115.544 -2.463 . . . . 0.0 109.449 -160.656 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.556 ' H ' HG11 ' A' ' 14' ' ' VAL . 98.6 mt -139.92 3.47 2.02 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 128.373 2.669 . . . . 0.0 112.448 167.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.632 ' O ' HG12 ' A' ' 14' ' ' VAL . 19.5 t70 166.71 139.65 0.04 OUTLIER Pre-proline 0 N--CA 1.478 0.952 0 CA-C-O 116.628 -1.653 . . . . 0.0 110.249 -162.231 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_exo -31.42 -44.0 0.14 Allowed 'Trans proline' 0 C--N 1.349 0.585 1 C-N-CA 125.671 4.248 . . . . 0.0 117.13 173.478 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.92 54.03 1.22 Allowed 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 113.107 -3.437 . . . . 0.0 113.071 166.242 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.632 HG12 ' O ' ' A' ' 11' ' ' ASP . 7.7 p -65.89 -32.89 60.17 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 CA-C-N 113.795 -1.548 . . . . 0.0 107.982 152.292 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -32.39 -52.48 0.29 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 130.281 3.432 . . . . 0.0 110.758 -179.325 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.89 -38.25 83.14 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 125.029 1.3 . . . . 0.0 113.397 -176.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 mt -80.65 17.1 1.19 Allowed 'General case' 0 CA--C 1.519 -0.221 0 C-N-CA 126.57 1.948 . . . . 0.0 112.237 178.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -143.13 25.02 1.77 Allowed 'General case' 0 CA--C 1.518 -0.255 0 C-N-CA 116.182 -2.207 . . . . 0.0 112.382 -159.428 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -133.03 75.43 71.97 Favored Pre-proline 0 N--CA 1.445 -0.706 0 C-N-CA 123.706 0.802 . . . . 0.0 109.784 172.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -49.18 144.48 16.7 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 124.413 3.409 . . . . 0.0 112.657 171.305 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.1 62.25 7.38 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.789 0.836 . . . . 0.0 109.572 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.03 -73.68 0.13 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 108.848 -1.701 . . . . 0.0 108.848 178.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.245 0 CA-C-O 117.572 -1.682 . . . . 0.0 110.194 176.506 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 . . . . . 0 N--CA 1.474 0.747 0 CA-C-O 118.724 -0.655 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.3 m -55.58 -21.11 15.77 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 119.271 0.941 . . . . 0.0 112.302 170.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 54.4 m -72.18 -34.47 68.45 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 123.3 0.64 . . . . 0.0 111.513 177.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 51.0 m -66.28 -25.75 67.01 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 173.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -74.13 -57.43 3.97 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 118.771 -0.633 . . . . 0.0 110.819 173.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.616 ' O ' HD23 ' A' ' 9' ' ' LEU . 1.3 p-80 -78.54 -8.47 58.61 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 116.601 -2.04 . . . . 0.0 113.307 -163.145 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.02 -50.27 1.78 Allowed 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 129.951 3.3 . . . . 0.0 106.402 166.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -97.05 38.57 1.23 Allowed 'General case' 0 N--CA 1.437 -1.096 0 C-N-CA 131.501 3.921 . . . . 0.0 115.281 -163.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.616 HD23 ' O ' ' A' ' 6' ' ' HIS . 0.2 OUTLIER -65.48 -28.12 68.98 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 113.968 -3.093 . . . . 0.0 109.166 -167.031 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.2 mt -139.04 0.02 1.91 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 127.253 2.221 . . . . 0.0 112.534 161.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 168.19 145.36 0.07 OUTLIER Pre-proline 0 CA--C 1.548 0.893 0 CA-C-O 116.258 -1.83 . . . . 0.0 108.748 -169.041 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -48.67 -4.85 0.04 OUTLIER 'Trans proline' 0 N--CA 1.486 1.066 1 C-N-CA 128.102 5.868 . . . . 0.0 120.871 -170.705 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.3 mtm105 -147.06 41.6 1.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 114.204 -2.998 . . . . 0.0 110.947 156.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 70.7 t -70.74 -25.3 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 CA-C-N 113.544 -1.662 . . . . 0.0 108.543 163.06 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.448 ' HB3' ' O ' ' A' ' 6' ' ' HIS . 0.2 OUTLIER -31.4 -45.37 0.08 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 127.279 2.232 . . . . 0.0 111.456 169.684 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.27 -39.16 81.29 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 125.047 1.308 . . . . 0.0 112.827 -178.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.421 HD12 ' N ' ' A' ' 17' ' ' LEU . 7.7 mp -81.9 12.65 3.87 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 126.122 1.769 . . . . 0.0 111.101 -175.666 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -142.67 17.68 2.0 Favored 'General case' 0 CA--C 1.511 -0.53 0 C-N-CA 116.112 -2.235 . . . . 0.0 113.777 -155.011 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -131.04 71.11 82.52 Favored Pre-proline 0 N--CA 1.439 -1.016 0 O-C-N 123.632 0.583 . . . . 0.0 110.524 169.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -48.63 142.89 17.41 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 124.33 3.354 . . . . 0.0 112.142 167.204 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.24 61.14 6.37 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.699 0.8 . . . . 0.0 109.594 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.02 -59.96 4.07 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 116.911 -2.049 . . . . 0.0 110.101 -179.631 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 . . . . . 0 N--CA 1.473 0.702 0 CA-C-O 118.877 -0.583 . . . . 0.0 110.05 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.5 t -56.39 -43.85 79.65 Favored 'General case' 0 C--N 1.346 0.45 0 CA-C-N 119.043 0.838 . . . . 0.0 111.941 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.7 t -67.22 -13.38 61.91 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 125.263 1.425 . . . . 0.0 113.66 -169.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 46.0 m -55.83 -26.67 47.73 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 169.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -63.23 -64.77 0.81 Allowed 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 123.614 0.766 . . . . 0.0 111.614 177.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -79.54 -14.45 58.85 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 117.988 -1.485 . . . . 0.0 112.83 -163.262 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.38 -22.25 0.01 OUTLIER 'General case' 0 C--O 1.214 -0.777 0 C-N-CA 130.53 3.532 . . . . 0.0 112.877 169.33 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -110.6 24.56 12.81 Favored 'General case' 0 CA--C 1.504 -0.823 0 C-N-CA 127.285 2.234 . . . . 0.0 115.531 -175.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 mt -66.81 -49.99 64.05 Favored 'General case' 0 CA--C 1.513 -0.465 0 C-N-CA 115.403 -2.519 . . . . 0.0 109.066 -159.001 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.419 ' H ' HG11 ' A' ' 14' ' ' VAL . 2.3 mp -131.47 0.13 4.02 Favored 'General case' 0 C--N 1.315 -0.898 0 C-N-CA 127.671 2.388 . . . . 0.0 111.74 166.363 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.2 t70 171.86 158.61 0.24 Allowed Pre-proline 0 N--CA 1.479 1.015 0 C-N-CA 124.999 1.32 . . . . 0.0 110.128 -164.289 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER -29.84 -63.0 0.1 OUTLIER 'Trans proline' 0 C--N 1.351 0.692 1 C-N-CA 126.525 4.817 . . . . 0.0 117.182 162.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.43 ' HA ' ' HG2' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -145.43 46.21 1.3 Allowed 'General case' 0 CA--C 1.52 -0.212 0 C-N-CA 114.987 -2.685 . . . . 0.0 112.749 176.485 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.453 HG22 ' CD1' ' A' ' 18' ' ' TYR . 13.4 p -60.32 -32.66 51.43 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.371 0 CA-C-N 111.534 -2.575 . . . . 0.0 106.938 145.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.43 ' HG2' ' HA ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -45.42 -38.64 6.2 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 127.204 2.202 . . . . 0.0 110.039 -176.87 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.29 -36.8 91.83 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 124.226 0.917 . . . . 0.0 112.471 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.489 HD12 ' N ' ' A' ' 17' ' ' LEU . 6.9 mp -84.95 8.89 16.04 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 125.148 1.379 . . . . 0.0 110.341 -175.139 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.453 ' CD1' HG22 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -130.06 24.67 5.27 Favored 'General case' 0 CA--C 1.517 -0.321 0 C-N-CA 117.73 -1.588 . . . . 0.0 111.833 -154.002 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -131.7 70.87 81.18 Favored Pre-proline 0 N--CA 1.438 -1.031 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.83 169.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -47.41 132.4 19.64 Favored 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 124.349 3.366 . . . . 0.0 112.122 170.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.8 61.29 6.26 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.832 0.853 . . . . 0.0 109.218 178.228 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 176.05 64.96 0.06 OUTLIER Glycine 0 CA--C 1.525 0.706 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 -177.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.196 0 CA-C-O 117.635 -1.647 . . . . 0.0 110.135 -179.193 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 . . . . . 0 CA--C 1.547 0.83 0 CA-C-O 118.648 -0.691 . . . . 0.0 109.192 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.8 m -64.4 -11.93 37.88 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-N 120.365 1.439 . . . . 0.0 112.894 -174.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 59.1 m -81.51 -40.21 23.55 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 119.174 0.897 . . . . 0.0 111.898 -173.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 93.4 m -63.66 -30.95 71.99 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 172.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -66.19 -60.0 3.22 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-O 119.109 -0.472 . . . . 0.0 111.058 173.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -76.85 -15.1 59.81 Favored 'General case' 0 CA--C 1.515 -0.383 0 C-N-CA 117.302 -1.759 . . . . 0.0 113.37 -162.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -36.44 -49.17 0.71 Allowed 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 128.414 2.686 . . . . 0.0 107.435 172.391 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.89 34.6 1.51 Allowed 'General case' 0 N--CA 1.437 -1.119 1 C-N-CA 131.891 4.076 . . . . 0.0 114.482 -165.053 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.58 -31.02 71.84 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 114.79 -2.764 . . . . 0.0 109.638 -163.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 97.6 mt -136.15 0.68 2.62 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 127.166 2.187 . . . . 0.0 112.448 161.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 166.88 146.58 0.05 OUTLIER Pre-proline 0 CA--C 1.544 0.748 0 CA-C-O 116.207 -1.854 . . . . 0.0 108.596 -167.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -63.92 14.1 0.08 OUTLIER 'Trans proline' 0 N--CA 1.483 0.854 1 C-N-CA 125.574 4.182 . . . . 0.0 118.837 -165.415 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 46.2 mtp180 -153.82 43.94 0.57 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 122.423 2.374 . . . . 0.0 109.032 149.409 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.9 t -67.13 -32.05 55.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 166.477 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -27.54 -60.76 0.1 Allowed 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 129.522 3.129 . . . . 0.0 110.877 171.156 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.45 -25.17 68.37 Favored Glycine 0 CA--C 1.533 1.213 0 CA-C-N 119.913 1.233 . . . . 0.0 113.561 -172.14 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 mt -85.73 13.96 6.49 Favored 'General case' 0 CA--C 1.514 -0.43 0 C-N-CA 125.932 1.693 . . . . 0.0 111.6 176.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -160.08 36.25 0.18 Allowed 'General case' 0 CA--C 1.508 -0.651 0 C-N-CA 115.462 -2.495 . . . . 0.0 115.631 -158.232 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -129.74 72.23 81.98 Favored Pre-proline 0 N--CA 1.441 -0.88 0 O-C-N 123.78 0.675 . . . . 0.0 110.323 162.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -50.71 130.74 31.4 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 123.827 3.018 . . . . 0.0 112.187 171.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.82 62.63 7.54 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.877 0.871 . . . . 0.0 109.476 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.14 -59.38 7.48 Favored Glycine 0 CA--C 1.528 0.891 0 N-CA-C 109.894 -1.282 . . . . 0.0 109.894 -179.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.106 0 CA-C-O 117.382 -1.788 . . . . 0.0 110.168 -177.873 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 17.9 m120 . . . . . 0 N--CA 1.479 1.012 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.0 m -56.3 -16.63 5.83 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 119.085 -0.483 . . . . 0.0 112.06 169.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.401 ' HA ' ' CE1' ' A' ' 6' ' ' HIS . 14.9 t -90.97 -38.3 12.94 Favored 'General case' 0 C--N 1.342 0.278 0 C-N-CA 123.802 0.841 . . . . 0.0 111.541 176.523 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.0 m -58.89 -31.92 69.03 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 172.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -59.12 -54.99 40.74 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 123.987 0.915 . . . . 0.0 111.917 174.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.401 ' CE1' ' HA ' ' A' ' 3' ' ' THR . 1.6 p-80 -74.96 -23.02 58.23 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 117.988 -1.485 . . . . 0.0 112.8 -164.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.415 ' HG2' ' HA ' ' A' ' 12' ' ' PRO . 4.9 tt0 -50.16 -11.35 0.07 Allowed 'General case' 0 CA--C 1.549 0.94 1 C-N-CA 132.004 4.122 . . . . 0.0 111.289 169.57 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -113.17 18.26 18.07 Favored 'General case' 0 CA--C 1.503 -0.836 0 N-CA-C 117.847 2.536 . . . . 0.0 117.847 -178.36 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.502 HD23 ' HB3' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -66.96 -50.49 62.13 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 116.694 -2.002 . . . . 0.0 109.7 -162.403 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.646 ' H ' HG11 ' A' ' 14' ' ' VAL . 35.4 mt -142.36 4.37 1.58 Allowed 'General case' 0 C--N 1.313 -0.999 0 C-N-CA 129.025 2.93 . . . . 0.0 111.517 166.332 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.0 t70 175.33 159.07 0.39 Allowed Pre-proline 0 N--CA 1.478 0.967 0 C-N-CA 123.079 0.552 . . . . 0.0 110.777 -163.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.415 ' HA ' ' HG2' ' A' ' 7' ' ' GLN . 34.3 Cg_exo -50.11 -38.62 50.56 Favored 'Trans proline' 0 CA--C 1.503 -1.047 0 C-N-CA 124.49 3.46 . . . . 0.0 117.747 169.684 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.54 48.43 0.81 Allowed 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 113.054 -3.458 . . . . 0.0 112.706 168.415 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.646 HG11 ' H ' ' A' ' 10' ' ' LEU . 7.3 p -59.36 -29.19 41.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-N 112.224 -2.262 . . . . 0.0 108.177 150.334 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -39.73 -43.52 1.41 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 128.708 2.803 . . . . 0.0 111.321 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.52 -36.79 64.95 Favored Glycine 0 CA--C 1.539 1.543 0 CA-C-N 119.611 1.096 . . . . 0.0 113.536 179.21 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 mt -81.94 19.08 1.17 Allowed 'General case' 0 CA--C 1.516 -0.335 0 C-N-CA 127.64 2.376 . . . . 0.0 112.589 177.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.502 ' HB3' HD23 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -146.1 20.95 1.41 Allowed 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 114.947 -2.701 . . . . 0.0 114.144 -157.467 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -133.97 72.24 72.65 Favored Pre-proline 0 N--CA 1.439 -0.982 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.711 169.591 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -47.61 138.4 19.36 Favored 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 124.323 3.349 . . . . 0.0 112.675 171.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.41 61.64 6.74 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.136 0.974 . . . . 0.0 109.625 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 147.64 -66.27 0.4 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 109.212 -1.555 . . . . 0.0 109.212 -179.446 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.156 0 CA-C-O 117.059 -1.967 . . . . 0.0 109.662 179.715 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 N--CA 1.474 0.73 0 CA-C-O 118.679 -0.677 . . . . 0.0 110.493 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.2 m -53.82 -24.69 16.36 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 119.06 0.846 . . . . 0.0 112.333 169.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 26.0 m -81.37 -46.44 14.66 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 124.464 1.106 . . . . 0.0 111.6 -176.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 23.6 m -62.98 -28.95 70.44 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 173.068 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -66.57 -56.8 9.1 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 118.447 -0.787 . . . . 0.0 111.556 172.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -74.08 -19.45 60.6 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 115.395 -2.522 . . . . 0.0 112.559 -161.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.29 -36.22 0.32 Allowed 'General case' 0 C--O 1.212 -0.911 0 C-N-CA 129.679 3.192 . . . . 0.0 109.471 169.688 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -102.56 19.2 19.48 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 128.197 2.599 . . . . 0.0 116.83 -164.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 mp -67.94 -40.97 83.2 Favored 'General case' 0 CA--C 1.515 -0.383 0 C-N-CA 114.858 -2.737 . . . . 0.0 110.908 -159.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.563 ' H ' HG11 ' A' ' 14' ' ' VAL . 94.7 mt -137.08 0.45 2.36 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 126.801 2.041 . . . . 0.0 112.953 168.116 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.572 ' O ' HG12 ' A' ' 14' ' ' VAL . 18.7 t70 170.71 138.7 0.08 OUTLIER Pre-proline 0 N--CA 1.474 0.769 0 CA-C-O 116.372 -1.775 . . . . 0.0 111.159 -162.415 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -34.53 -35.19 0.09 OUTLIER 'Trans proline' 0 CA--C 1.512 -0.612 1 C-N-CA 126.245 4.63 . . . . 0.0 117.334 174.643 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.3 mtm105 -147.08 48.81 1.13 Allowed 'General case' 0 C--N 1.339 0.147 0 C-N-CA 112.464 -3.694 . . . . 0.0 113.779 162.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.572 HG12 ' O ' ' A' ' 11' ' ' ASP . 10.7 p -65.93 -25.68 36.69 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.313 0 CA-C-N 114.974 -1.012 . . . . 0.0 108.886 154.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -35.7 -47.39 0.48 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 128.759 2.824 . . . . 0.0 111.118 177.133 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.6 -41.87 93.84 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 125.262 1.411 . . . . 0.0 112.803 177.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mt -70.58 19.61 0.05 OUTLIER 'General case' 0 CA--C 1.519 -0.236 0 C-N-CA 127.358 2.263 . . . . 0.0 113.017 169.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -145.98 25.07 1.3 Allowed 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 117.262 -1.775 . . . . 0.0 112.195 -166.188 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -129.64 70.91 82.14 Favored Pre-proline 0 N--CA 1.442 -0.832 0 C-N-CA 123.203 0.601 . . . . 0.0 109.702 168.268 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -46.33 126.3 9.9 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 124.554 3.503 . . . . 0.0 112.215 171.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.59 61.64 6.82 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.272 1.029 . . . . 0.0 109.441 -179.086 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -176.03 73.05 0.08 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 -178.14 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.151 0 CA-C-O 116.86 -2.078 . . . . 0.0 110.117 179.233 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 . . . . . 0 N--CA 1.473 0.701 0 CA-C-O 118.598 -0.715 . . . . 0.0 109.995 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 t -56.44 -34.7 67.09 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.245 0.929 . . . . 0.0 112.316 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.2 t -88.59 -39.54 14.03 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 117.937 0.335 . . . . 0.0 111.611 -170.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.4 m -65.43 -30.47 71.27 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 171.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -62.3 -56.17 21.09 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 118.693 -0.67 . . . . 0.0 110.848 173.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.609 ' O ' HD23 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -76.15 -14.25 60.17 Favored 'General case' 0 C--O 1.222 -0.355 0 C-N-CA 115.86 -2.336 . . . . 0.0 112.518 -164.413 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -52.94 -15.22 0.71 Allowed 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 129.267 3.027 . . . . 0.0 110.457 169.356 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -112.1 32.11 5.76 Favored 'General case' 0 CA--C 1.508 -0.641 0 C-N-CA 127.401 2.28 . . . . 0.0 115.48 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.609 HD23 ' O ' ' A' ' 6' ' ' HIS . 0.3 OUTLIER -67.16 -46.39 74.15 Favored 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 114.295 -2.962 . . . . 0.0 108.845 -161.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.45 ' H ' HG11 ' A' ' 14' ' ' VAL . 28.9 mt -140.3 6.7 2.14 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 111.251 -2.704 . . . . 0.0 111.152 165.786 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.4 t70 172.5 155.37 0.24 Allowed Pre-proline 0 N--CA 1.478 0.941 0 C-N-CA 124.598 1.159 . . . . 0.0 110.174 -165.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -27.37 -63.77 0.07 OUTLIER 'Trans proline' 0 C--N 1.351 0.67 1 C-N-CA 126.373 4.715 . . . . 0.0 116.551 161.685 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.93 47.45 1.43 Allowed 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 113.981 -3.088 . . . . 0.0 113.704 175.54 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.45 HG11 ' H ' ' A' ' 10' ' ' LEU . 14.2 p -62.93 -25.77 39.3 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.386 0 CA-C-N 112.376 -2.193 . . . . 0.0 107.988 147.52 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.424 ' HB3' ' O ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -41.02 -36.45 0.68 Allowed 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 127.286 2.235 . . . . 0.0 110.769 176.189 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.63 -34.92 90.23 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 124.982 1.277 . . . . 0.0 113.249 178.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.45 HD12 ' N ' ' A' ' 17' ' ' LEU . 8.1 mp -78.64 9.03 4.42 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 126.54 1.936 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -133.52 21.03 3.94 Favored 'General case' 0 CA--C 1.511 -0.544 0 C-N-CA 118.133 -1.427 . . . . 0.0 113.104 -152.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -132.28 70.41 80.04 Favored Pre-proline 0 N--CA 1.442 -0.861 0 O-C-N 123.881 0.738 . . . . 0.0 111.393 168.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -56.81 158.32 17.19 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 123.833 3.022 . . . . 0.0 111.912 166.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.3 59.55 5.08 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.362 0.665 . . . . 0.0 109.508 173.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 165.71 -73.75 0.16 Allowed Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.045 -1.222 . . . . 0.0 110.045 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.182 0 CA-C-O 116.68 -2.178 . . . . 0.0 110.461 179.527 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 N--CA 1.474 0.739 0 CA-C-O 118.831 -0.604 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.7 m -54.74 -23.19 16.67 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 118.962 0.801 . . . . 0.0 112.278 169.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.454 ' HA ' ' CE1' ' A' ' 6' ' ' HIS . 20.8 m -82.97 -38.28 22.9 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 124.238 1.015 . . . . 0.0 111.797 -175.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.8 m -64.15 -29.36 70.48 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 169.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -71.41 -54.23 11.4 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 119.092 -0.48 . . . . 0.0 112.038 177.368 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.454 ' CE1' ' HA ' ' A' ' 3' ' ' THR . 1.6 p-80 -74.14 -21.1 60.01 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 117.701 -1.6 . . . . 0.0 112.466 -163.781 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -49.33 -13.78 0.08 Allowed 'General case' 0 CA--C 1.553 1.088 1 C-N-CA 132.027 4.131 . . . . 0.0 110.959 172.427 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -110.82 14.34 22.18 Favored 'General case' 0 CA--C 1.5 -0.956 0 N-CA-C 117.724 2.49 . . . . 0.0 117.724 -174.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.478 HD23 ' HB3' ' A' ' 18' ' ' TYR . 0.1 OUTLIER -67.86 -48.63 65.61 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 116.849 -1.94 . . . . 0.0 108.833 -162.529 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.776 ' H ' HG11 ' A' ' 14' ' ' VAL . 44.2 mt -141.92 4.18 1.66 Allowed 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 128.951 2.9 . . . . 0.0 111.28 162.562 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.61 ' O ' HG12 ' A' ' 14' ' ' VAL . 0.6 OUTLIER 170.04 155.5 0.19 Allowed Pre-proline 0 CA--C 1.546 0.817 0 C-N-CA 123.575 0.75 . . . . 0.0 111.29 -162.896 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_exo -51.16 -32.26 39.38 Favored 'Trans proline' 0 CA--C 1.499 -1.273 0 C-N-CA 125.105 3.87 . . . . 0.0 117.955 175.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.71 53.51 0.72 Allowed 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 112.576 -3.65 . . . . 0.0 111.344 165.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.776 HG11 ' H ' ' A' ' 10' ' ' LEU . 15.0 p -64.05 -25.19 37.53 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 CA-C-N 110.529 -3.032 . . . . 0.0 108.531 149.677 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 ppt_? -47.46 -41.3 20.25 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 128.447 2.699 . . . . 0.0 111.838 -173.324 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.99 -33.8 51.19 Favored Glycine 0 CA--C 1.538 1.523 0 C-N-CA 124.259 0.933 . . . . 0.0 113.149 177.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 mt -84.73 21.59 1.51 Allowed 'General case' 0 CA--C 1.518 -0.282 0 C-N-CA 127.592 2.357 . . . . 0.0 112.511 177.285 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.478 ' HB3' HD23 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -150.96 22.27 0.77 Allowed 'General case' 0 CA--C 1.511 -0.534 0 C-N-CA 115.528 -2.469 . . . . 0.0 114.808 -160.338 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -133.02 71.83 77.34 Favored Pre-proline 0 N--CA 1.438 -1.069 0 O-C-N 123.44 0.463 . . . . 0.0 109.854 167.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -49.99 128.24 21.54 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 124.138 3.225 . . . . 0.0 112.259 174.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.78 62.23 7.27 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.076 0.95 . . . . 0.0 109.602 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.35 -55.83 16.5 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 108.964 -1.654 . . . . 0.0 108.964 175.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.301 0 CA-C-O 117.169 -1.906 . . . . 0.0 109.65 170.976 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 . . . . . 0 N--CA 1.474 0.745 0 CA-C-O 118.323 -0.846 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.0 m -57.42 -30.31 64.87 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 119.85 1.204 . . . . 0.0 112.88 -178.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.7 t -91.2 -34.45 15.0 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 118.158 0.435 . . . . 0.0 111.398 -173.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 20.5 m -65.66 -30.64 71.36 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 169.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -62.39 -55.68 25.6 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 118.312 -0.851 . . . . 0.0 111.012 176.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -69.48 -23.58 63.66 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 116.538 -2.065 . . . . 0.0 111.23 -167.175 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.418 ' O ' ' HA ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -55.62 1.04 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 129.959 3.303 . . . . 0.0 110.932 169.747 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -113.95 19.74 16.31 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 126.998 2.119 . . . . 0.0 115.375 172.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 mt -69.3 -53.95 17.08 Favored 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 116.259 -2.176 . . . . 0.0 109.363 -156.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 mp -127.68 7.14 6.22 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 127.266 2.227 . . . . 0.0 111.669 168.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 169.91 177.42 0.09 OUTLIER Pre-proline 0 N--CA 1.467 0.381 0 C-N-CA 125.782 1.633 . . . . 0.0 106.853 -166.264 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.418 ' HA ' ' O ' ' A' ' 7' ' ' GLN . 4.5 Cg_exo -31.35 -117.65 0.0 OUTLIER 'Trans proline' 0 CA--C 1.51 -0.713 1 C-N-CA 126.398 4.732 . . . . 0.0 115.743 143.89 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.1 mtm180 -103.01 36.99 2.06 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 116.317 -2.153 . . . . 0.0 112.033 -158.026 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.9 p -60.55 -27.33 40.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-N 111.92 -2.4 . . . . 0.0 108.696 155.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.4 -42.26 2.22 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.984 2.114 . . . . 0.0 110.452 176.428 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.0 -37.23 57.86 Favored Glycine 0 CA--C 1.53 0.971 0 C-N-CA 125.054 1.311 . . . . 0.0 112.499 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.503 HD12 ' N ' ' A' ' 17' ' ' LEU . 8.4 mp -84.75 15.96 3.57 Favored 'General case' 0 N--CA 1.44 -0.942 0 C-N-CA 125.945 1.698 . . . . 0.0 110.904 -172.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -140.69 20.64 2.34 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 117.406 -1.718 . . . . 0.0 112.074 -161.203 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -135.52 71.86 65.12 Favored Pre-proline 0 N--CA 1.434 -1.226 0 C-N-CA 123.871 0.868 . . . . 0.0 108.832 169.441 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -48.95 155.21 2.76 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 124.046 3.164 . . . . 0.0 112.327 170.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.92 61.18 5.12 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.185 0.994 . . . . 0.0 109.695 -177.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.37 -55.27 0.17 Allowed Glycine 0 CA--C 1.527 0.783 0 N-CA-C 109.998 -1.241 . . . . 0.0 109.998 -177.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.157 0 CA-C-O 117.035 -1.98 . . . . 0.0 109.98 -178.673 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.475 0.781 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m -69.4 -28.8 66.48 Favored 'General case' 0 C--N 1.345 0.384 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -169.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 t -86.36 -34.21 20.31 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 119.586 1.085 . . . . 0.0 112.293 -164.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 34.5 m -74.03 -20.63 60.24 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 173.146 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -70.84 -59.56 2.73 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 119.59 -0.243 . . . . 0.0 110.387 169.114 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -75.28 -15.16 60.54 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 117.893 -1.523 . . . . 0.0 112.996 -161.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -29.12 -51.65 0.1 Allowed 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 130.491 3.516 . . . . 0.0 107.505 168.692 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.4 36.68 1.23 Allowed 'General case' 0 N--CA 1.436 -1.167 0 C-N-CA 131.499 3.919 . . . . 0.0 114.085 -166.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 15' ' ' ARG . 0.4 OUTLIER -65.99 -25.13 66.95 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 114.822 -2.751 . . . . 0.0 109.496 -165.385 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 90.4 mt -137.25 -5.0 1.86 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 127.741 2.417 . . . . 0.0 112.638 157.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 168.55 149.87 0.11 Allowed Pre-proline 0 CA--C 1.547 0.855 0 C-N-CA 126.493 1.917 . . . . 0.0 108.957 -166.513 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -60.16 4.03 0.2 Allowed 'Trans proline' 0 N--CA 1.481 0.784 1 C-N-CA 125.415 4.076 . . . . 0.0 119.275 -161.335 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.6 mtm-85 -148.87 41.4 0.93 Allowed 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 124.177 3.171 . . . . 0.0 110.024 153.337 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.1 t -67.48 -28.84 43.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 C-N-CA 125.274 1.43 . . . . 0.0 108.794 165.074 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.411 ' HA ' HD12 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -32.01 -50.58 0.22 Allowed 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 128.002 2.521 . . . . 0.0 111.468 169.383 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.29 -34.85 68.62 Favored Glycine 0 C--N 1.34 0.769 0 C-N-CA 124.385 0.993 . . . . 0.0 112.209 -175.464 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.521 HD12 ' N ' ' A' ' 17' ' ' LEU . 7.9 mp -86.36 19.07 2.9 Favored 'General case' 0 N--CA 1.435 -1.199 0 C-N-CA 124.883 1.273 . . . . 0.0 110.067 -171.62 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -149.32 14.96 0.89 Allowed 'General case' 0 C--N 1.343 0.312 0 C-N-CA 116.522 -2.071 . . . . 0.0 114.093 -160.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -133.01 74.71 73.34 Favored Pre-proline 0 N--CA 1.444 -0.759 0 C-N-CA 122.627 0.371 . . . . 0.0 110.794 172.117 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.79 144.48 76.59 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 123.691 2.928 . . . . 0.0 111.604 167.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.52 60.1 5.86 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.627 0.771 . . . . 0.0 109.729 178.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.66 83.76 0.05 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 109.33 -1.508 . . . . 0.0 109.33 -175.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.176 0 CA-C-O 117.171 -1.905 . . . . 0.0 110.092 177.004 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.2 m . . . . . 0 N--CA 1.446 -0.667 0 CA-C-O 119.301 -0.38 . . . . 0.0 111.489 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 49.0 m -67.98 -26.92 66.16 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 174.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -69.23 -59.22 3.16 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 119.031 -0.509 . . . . 0.0 110.735 170.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -73.72 -16.7 61.18 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 117.11 -1.836 . . . . 0.0 113.211 -162.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -33.1 -50.28 0.28 Allowed 'General case' 0 C--O 1.221 -0.406 0 C-N-CA 129.344 3.058 . . . . 0.0 107.112 169.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.33 36.66 1.32 Allowed 'General case' 0 N--CA 1.436 -1.129 1 C-N-CA 131.758 4.023 . . . . 0.0 114.426 -166.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.06 -29.61 69.98 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 114.507 -2.877 . . . . 0.0 109.397 -164.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 35.1 mt -139.46 3.32 2.11 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 127.431 2.292 . . . . 0.0 112.133 161.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 166.5 143.74 0.05 OUTLIER Pre-proline 0 CA--C 1.544 0.747 0 CA-C-O 116.074 -1.917 . . . . 0.0 108.053 -168.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -50.48 -0.88 0.04 OUTLIER 'Trans proline' 0 N--CA 1.489 1.237 1 C-N-CA 128.217 5.945 . . . . 0.0 120.6 -172.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.0 mtm180 -150.15 44.4 0.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 114.846 -2.742 . . . . 0.0 110.552 154.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 56.1 t -66.9 -31.64 54.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 114.415 -1.266 . . . . 0.0 108.263 164.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -29.4 -59.54 0.15 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 129.198 2.999 . . . . 0.0 110.974 172.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.64 -24.59 69.72 Favored Glycine 0 CA--C 1.532 1.118 0 CA-C-N 119.71 1.141 . . . . 0.0 113.466 -172.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 mt -84.14 16.43 2.96 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 125.528 1.531 . . . . 0.0 111.615 176.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -160.2 30.45 0.17 Allowed 'General case' 0 CA--C 1.511 -0.52 0 C-N-CA 115.392 -2.523 . . . . 0.0 115.543 -159.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -129.35 71.13 82.07 Favored Pre-proline 0 N--CA 1.442 -0.857 0 O-C-N 123.539 0.525 . . . . 0.0 110.352 164.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -45.88 122.0 4.75 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 124.54 3.493 . . . . 0.0 111.775 167.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.176 0 C-N-CA 123.958 0.903 . . . . 0.0 109.648 -176.759 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.418 ' HA ' ' CD2' ' A' ' 6' ' ' HIS . 86.0 m . . . . . 0 N--CA 1.444 -0.768 0 CA-C-O 118.61 -0.71 . . . . 0.0 112.245 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.2 m -67.19 -28.11 67.82 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 170.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -67.03 -63.56 1.03 Allowed 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 118.007 -0.997 . . . . 0.0 111.018 175.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.418 ' CD2' ' HA ' ' A' ' 3' ' ' THR . 0.0 OUTLIER -78.55 -9.53 59.38 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 115.313 -2.555 . . . . 0.0 113.048 -162.584 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -29.36 -40.34 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.039 0 C-N-CA 130.819 3.647 . . . . 0.0 110.562 168.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -100.26 24.46 8.73 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 126.704 2.002 . . . . 0.0 115.967 -167.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 mt -67.21 -40.09 86.39 Favored 'General case' 0 CA--C 1.517 -0.308 0 C-N-CA 115.641 -2.424 . . . . 0.0 110.263 -161.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.503 ' H ' HG11 ' A' ' 14' ' ' VAL . 42.2 mt -140.84 -2.52 1.33 Allowed 'General case' 0 C--N 1.317 -0.838 0 C-N-CA 127.35 2.26 . . . . 0.0 112.654 164.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.603 ' O ' HG12 ' A' ' 14' ' ' VAL . 0.6 OUTLIER 168.9 144.4 0.07 OUTLIER Pre-proline 0 N--CA 1.477 0.891 0 CA-C-O 117.559 -1.21 . . . . 0.0 110.725 -165.678 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -36.46 -43.07 0.76 Allowed 'Trans proline' 0 C--N 1.35 0.634 1 C-N-CA 126.046 4.497 . . . . 0.0 118.395 -174.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.421 ' HA ' ' HG2' ' A' ' 15' ' ' ARG . 0.4 OUTLIER -144.72 47.54 1.35 Allowed 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 114.578 -2.849 . . . . 0.0 111.875 167.504 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.603 HG12 ' O ' ' A' ' 11' ' ' ASP . 7.2 p -62.75 -25.27 37.86 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-N 112.51 -2.132 . . . . 0.0 108.642 150.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.421 ' HG2' ' HA ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -56.0 -41.72 75.27 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 126.812 2.045 . . . . 0.0 110.086 -167.508 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.28 -32.76 64.14 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 124.341 0.972 . . . . 0.0 112.881 175.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 mt -81.52 21.68 0.77 Allowed 'General case' 0 C--N 1.34 0.178 0 C-N-CA 125.966 1.707 . . . . 0.0 112.284 174.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -146.46 25.8 1.19 Allowed 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 116.684 -2.006 . . . . 0.0 112.371 -164.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -133.2 73.96 73.57 Favored Pre-proline 0 N--CA 1.441 -0.889 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 168.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -49.74 127.24 18.33 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.928 3.085 . . . . 0.0 112.244 175.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.157 0 C-N-CA 124.27 1.028 . . . . 0.0 109.411 -178.657 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.6 t . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 119.781 -0.152 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.2 m -64.7 -31.46 72.7 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 170.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -66.36 -59.4 3.73 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 118.764 -0.636 . . . . 0.0 110.789 174.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.63 ' O ' HD23 ' A' ' 9' ' ' LEU . 1.1 p-80 -77.68 -11.57 59.88 Favored 'General case' 0 C--O 1.221 -0.397 0 C-N-CA 116.086 -2.246 . . . . 0.0 113.098 -162.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.9 -39.25 1.77 Allowed 'General case' 0 C--O 1.212 -0.907 0 C-N-CA 128.046 2.538 . . . . 0.0 108.456 169.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -100.28 31.97 3.19 Favored 'General case' 0 N--CA 1.441 -0.911 0 C-N-CA 128.888 2.875 . . . . 0.0 114.691 -166.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.63 HD23 ' O ' ' A' ' 6' ' ' HIS . 0.2 OUTLIER -65.42 -42.82 92.1 Favored 'General case' 0 CA--C 1.519 -0.245 0 C-N-CA 114.684 -2.806 . . . . 0.0 109.231 -162.318 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.409 ' H ' ' CG1' ' A' ' 14' ' ' VAL . 46.0 mt -141.57 3.52 1.69 Allowed 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 128.482 2.713 . . . . 0.0 111.97 165.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.556 ' O ' HG12 ' A' ' 14' ' ' VAL . 18.5 t70 171.74 136.86 0.09 OUTLIER Pre-proline 0 N--CA 1.474 0.773 0 CA-C-O 116.215 -1.85 . . . . 0.0 110.75 -163.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -32.21 -36.88 0.06 OUTLIER 'Trans proline' 0 C--N 1.351 0.69 1 C-N-CA 126.796 4.997 . . . . 0.0 117.51 177.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -147.72 49.2 1.08 Allowed 'General case' 0 C--N 1.34 0.174 0 C-N-CA 112.361 -3.736 . . . . 0.0 113.654 162.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.556 HG12 ' O ' ' A' ' 11' ' ' ASP . 12.2 p -66.5 -26.27 37.18 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-N 114.937 -1.029 . . . . 0.0 108.587 154.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.455 ' HB3' ' O ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -33.79 -46.15 0.21 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 129.382 3.073 . . . . 0.0 112.041 177.023 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.13 -34.42 87.96 Favored Glycine 0 CA--C 1.541 1.703 0 CA-C-N 119.674 1.124 . . . . 0.0 113.124 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mt -76.01 21.04 0.17 Allowed 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 127.586 2.354 . . . . 0.0 112.396 170.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -146.62 24.59 1.22 Allowed 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 116.702 -1.999 . . . . 0.0 112.785 -162.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -131.17 72.32 81.49 Favored Pre-proline 0 N--CA 1.441 -0.917 0 O-C-N 123.7 0.625 . . . . 0.0 110.269 169.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -46.27 125.91 9.34 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 124.331 3.354 . . . . 0.0 111.864 168.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.139 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.897 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 61.0 m . . . . . 0 N--CA 1.444 -0.747 0 CA-C-O 119.047 -0.502 . . . . 0.0 111.699 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.9 m -63.41 -32.92 74.49 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 170.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -68.5 -58.72 3.89 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 119.045 -0.502 . . . . 0.0 111.344 176.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -73.91 -25.47 60.01 Favored 'General case' 0 CA--C 1.513 -0.453 0 C-N-CA 117.014 -1.874 . . . . 0.0 112.8 -163.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -36.83 -41.03 0.3 Allowed 'General case' 0 C--O 1.212 -0.903 0 C-N-CA 128.969 2.908 . . . . 0.0 108.067 174.062 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.8 21.79 7.11 Favored 'General case' 0 N--CA 1.439 -0.978 0 C-N-CA 129.375 3.07 . . . . 0.0 116.006 -164.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.538 HD23 ' HB3' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -63.59 -44.92 92.6 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 116.811 -1.956 . . . . 0.0 110.638 -163.598 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.579 ' H ' HG11 ' A' ' 14' ' ' VAL . 46.4 mt -141.98 0.13 1.36 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 111.807 -2.451 . . . . 0.0 112.497 167.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.762 ' O ' HG12 ' A' ' 14' ' ' VAL . 10.1 t70 167.92 134.57 0.04 OUTLIER Pre-proline 0 N--CA 1.476 0.868 0 CA-C-O 116.431 -1.747 . . . . 0.0 110.56 -161.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -33.45 -35.18 0.07 OUTLIER 'Trans proline' 0 CA--C 1.513 -0.549 1 C-N-CA 126.528 4.819 . . . . 0.0 118.178 -178.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -145.01 47.65 1.32 Allowed 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 113.294 -3.363 . . . . 0.0 113.414 166.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.762 HG12 ' O ' ' A' ' 11' ' ' ASP . 7.7 p -65.84 -25.96 37.52 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 CA-C-N 114.061 -1.427 . . . . 0.0 108.902 154.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.5 -43.42 1.84 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 128.631 2.773 . . . . 0.0 110.908 -179.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.8 -37.22 76.31 Favored Glycine 0 CA--C 1.538 1.525 0 C-N-CA 124.699 1.142 . . . . 0.0 113.449 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mt -79.79 19.1 0.7 Allowed 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 127.726 2.41 . . . . 0.0 112.692 177.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.538 ' HB3' HD23 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -145.83 19.74 1.46 Allowed 'General case' 0 CA--C 1.513 -0.46 0 C-N-CA 114.992 -2.683 . . . . 0.0 114.113 -157.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -133.55 71.38 75.59 Favored Pre-proline 0 N--CA 1.438 -1.072 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.851 170.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_exo -46.36 110.06 0.25 Allowed 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 124.726 3.617 . . . . 0.0 112.478 173.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.167 0 C-N-CA 124.154 0.982 . . . . 0.0 109.452 -179.521 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.4 m . . . . . 0 N--CA 1.447 -0.602 0 CA-C-O 118.908 -0.568 . . . . 0.0 111.794 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 89.7 m -65.71 -28.68 69.23 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 172.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -68.98 -61.04 1.96 Allowed 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 119.268 -0.396 . . . . 0.0 110.955 173.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -77.34 -17.39 58.3 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 118.011 -1.475 . . . . 0.0 113.269 -162.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -32.01 -50.63 0.22 Allowed 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 129.006 2.922 . . . . 0.0 107.377 171.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.85 35.74 1.23 Allowed 'General case' 0 N--CA 1.435 -1.179 1 C-N-CA 132.124 4.169 . . . . 0.0 114.281 -165.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.91 -25.85 67.34 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 114.847 -2.741 . . . . 0.0 109.35 -165.072 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.4 mt -140.57 0.77 1.68 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 127.896 2.478 . . . . 0.0 112.38 158.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 166.68 148.09 0.06 OUTLIER Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 126.455 1.902 . . . . 0.0 108.703 -168.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -61.26 8.98 0.08 OUTLIER 'Trans proline' 0 N--CA 1.485 0.996 1 C-N-CA 125.896 4.397 . . . . 0.0 119.45 -163.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.0 mtp180 -151.23 41.47 0.73 Allowed 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 123.392 2.814 . . . . 0.0 109.331 151.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.1 t -67.06 -30.63 50.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 C-N-CA 125.01 1.324 . . . . 0.0 108.39 166.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -29.94 -49.09 0.1 Allowed 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 128.051 2.541 . . . . 0.0 111.056 168.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.63 -34.95 88.29 Favored Glycine 0 CA--C 1.53 1.031 0 C-N-CA 123.888 0.756 . . . . 0.0 112.323 -174.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.484 HD12 ' N ' ' A' ' 17' ' ' LEU . 8.9 mp -86.67 16.54 4.63 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 125.021 1.328 . . . . 0.0 110.859 -175.23 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -145.38 16.9 1.51 Allowed 'General case' 0 CA--C 1.517 -0.318 0 C-N-CA 116.361 -2.136 . . . . 0.0 113.635 -159.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -132.95 71.8 77.57 Favored Pre-proline 0 N--CA 1.44 -0.946 0 C-N-CA 123.061 0.544 . . . . 0.0 109.828 169.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -54.68 135.25 66.41 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.498 2.799 . . . . 0.0 111.974 175.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.206 0 C-N-CA 123.709 0.803 . . . . 0.0 109.418 177.795 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.2 t . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 119.825 -0.131 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 77.4 m -66.7 -27.01 67.3 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 169.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -68.74 -59.09 3.34 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 118.784 -0.627 . . . . 0.0 110.47 173.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.645 ' O ' HD23 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -78.75 -11.53 59.99 Favored 'General case' 0 C--O 1.225 -0.228 0 C-N-CA 116.008 -2.277 . . . . 0.0 113.074 -162.77 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.14 -44.62 1.85 Allowed 'General case' 0 C--O 1.216 -0.693 0 C-N-CA 127.935 2.494 . . . . 0.0 107.13 169.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.32 31.25 2.0 Allowed 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 129.175 2.99 . . . . 0.0 114.485 -164.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.645 HD23 ' O ' ' A' ' 6' ' ' HIS . 0.2 OUTLIER -66.62 -44.28 82.46 Favored 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 114.977 -2.689 . . . . 0.0 108.694 -163.465 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.515 ' H ' HG11 ' A' ' 14' ' ' VAL . 85.7 mt -134.33 -5.39 2.63 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 111.454 -2.612 . . . . 0.0 113.077 166.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.702 ' O ' HG12 ' A' ' 14' ' ' VAL . 0.4 OUTLIER 168.52 137.6 0.05 OUTLIER Pre-proline 0 N--CA 1.472 0.665 0 CA-C-O 116.746 -1.597 . . . . 0.0 110.347 -163.661 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -31.9 -39.65 0.08 OUTLIER 'Trans proline' 0 C--N 1.349 0.594 1 C-N-CA 127.331 5.354 . . . . 0.0 118.544 -175.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.06 50.71 1.41 Allowed 'General case' 0 C--N 1.338 0.083 0 C-N-CA 113.176 -3.41 . . . . 0.0 113.101 166.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.702 HG12 ' O ' ' A' ' 11' ' ' ASP . 13.5 p -69.9 -25.38 27.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-N 113.257 -1.792 . . . . 0.0 108.909 153.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.455 ' HB3' ' O ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -38.39 -44.66 0.93 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 129.385 3.074 . . . . 0.0 111.746 -178.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.7 -40.43 79.58 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 124.763 1.173 . . . . 0.0 112.997 178.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 mt -74.24 20.92 0.1 Allowed 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 127.826 2.451 . . . . 0.0 112.534 171.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -146.87 25.26 1.16 Allowed 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 116.723 -1.991 . . . . 0.0 112.676 -163.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -131.33 72.62 80.87 Favored Pre-proline 0 N--CA 1.441 -0.905 0 O-C-N 123.747 0.654 . . . . 0.0 110.224 168.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -52.08 121.66 9.22 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 123.735 2.957 . . . . 0.0 111.698 172.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.169 0 C-N-CA 124.026 0.93 . . . . 0.0 109.209 179.965 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.421 ' HA ' ' CE1' ' A' ' 6' ' ' HIS . 65.5 m . . . . . 0 N--CA 1.443 -0.804 0 CA-C-O 118.854 -0.593 . . . . 0.0 111.995 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 55.8 m -59.73 -31.98 70.12 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 173.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -67.45 -53.28 30.36 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 118.995 -0.526 . . . . 0.0 111.868 176.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.421 ' CE1' ' HA ' ' A' ' 3' ' ' THR . 1.5 p-80 -73.93 -17.86 60.97 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 117.561 -1.656 . . . . 0.0 112.653 -165.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -51.38 -11.49 0.12 Allowed 'General case' 0 CA--C 1.552 1.047 1 C-N-CA 132.076 4.15 . . . . 0.0 111.234 170.268 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -115.84 15.96 16.3 Favored 'General case' 0 CA--C 1.499 -1.01 0 N-CA-C 118.998 2.962 . . . . 0.0 118.998 -175.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.468 HD23 ' HB3' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -67.23 -52.2 43.91 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 116.551 -2.06 . . . . 0.0 109.031 -162.471 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.677 ' H ' HG11 ' A' ' 14' ' ' VAL . 95.5 mt -138.75 3.53 2.27 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 129.081 2.952 . . . . 0.0 111.561 165.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 21.0 t70 173.68 159.82 0.31 Allowed Pre-proline 0 N--CA 1.475 0.802 0 C-N-CA 123.891 0.877 . . . . 0.0 110.718 -162.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -55.25 -33.56 85.14 Favored 'Trans proline' 0 CA--C 1.498 -1.314 0 C-N-CA 124.199 3.266 . . . . 0.0 118.194 170.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.84 53.51 0.71 Allowed 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 112.041 -3.863 . . . . 0.0 112.385 166.279 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.677 HG11 ' H ' ' A' ' 10' ' ' LEU . 7.6 p -63.05 -28.6 45.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 110.728 -2.942 . . . . 0.0 108.323 149.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.1 ppt_? -40.56 -40.51 1.27 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 128.979 2.912 . . . . 0.0 112.417 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.43 -30.56 61.91 Favored Glycine 0 CA--C 1.541 1.714 0 CA-C-N 119.744 1.157 . . . . 0.0 113.254 179.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 mt -88.34 17.83 4.93 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 127.71 2.404 . . . . 0.0 112.588 177.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.468 ' HB3' HD23 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -145.72 22.42 1.44 Allowed 'General case' 0 CA--C 1.513 -0.479 0 C-N-CA 114.584 -2.847 . . . . 0.0 114.451 -155.14 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -135.19 72.5 66.43 Favored Pre-proline 0 N--CA 1.439 -0.997 0 O-C-N 123.619 0.574 . . . . 0.0 109.873 168.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -51.52 114.49 1.6 Allowed 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 123.819 3.013 . . . . 0.0 112.04 175.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.195 0 C-N-CA 124.037 0.935 . . . . 0.0 109.598 -179.635 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 54.3 m -62.25 -27.28 68.89 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 118.826 0.739 . . . . 0.0 109.691 174.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -67.38 -58.31 5.02 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-O 119.131 -0.461 . . . . 0.0 110.842 175.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.648 ' O ' HD23 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -79.45 -11.94 59.9 Favored 'General case' 0 C--O 1.223 -0.322 0 C-N-CA 116.324 -2.151 . . . . 0.0 113.099 -162.417 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.62 -39.48 2.37 Favored 'General case' 0 C--O 1.212 -0.91 0 C-N-CA 128.066 2.546 . . . . 0.0 108.297 169.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.44 31.35 3.17 Favored 'General case' 0 N--CA 1.441 -0.909 0 C-N-CA 129.087 2.955 . . . . 0.0 114.665 -166.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.648 HD23 ' O ' ' A' ' 6' ' ' HIS . 0.2 OUTLIER -65.51 -42.85 91.6 Favored 'General case' 0 CA--C 1.52 -0.191 0 C-N-CA 114.802 -2.759 . . . . 0.0 109.133 -162.456 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.416 ' H ' HG11 ' A' ' 14' ' ' VAL . 46.5 mt -141.38 2.65 1.67 Allowed 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 128.3 2.64 . . . . 0.0 112.173 165.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.574 ' O ' HG12 ' A' ' 14' ' ' VAL . 17.3 t70 171.96 136.22 0.09 OUTLIER Pre-proline 0 N--CA 1.475 0.811 0 CA-C-O 116.134 -1.889 . . . . 0.0 110.717 -163.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -33.65 -34.25 0.07 OUTLIER 'Trans proline' 0 C--N 1.351 0.697 1 C-N-CA 126.85 5.033 . . . . 0.0 117.725 178.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -147.41 48.75 1.1 Allowed 'General case' 0 C--N 1.339 0.14 0 C-N-CA 112.414 -3.714 . . . . 0.0 113.589 162.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.574 HG12 ' O ' ' A' ' 11' ' ' ASP . 10.9 p -67.17 -27.58 39.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-N 115.103 -0.953 . . . . 0.0 108.617 155.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.472 ' HB3' ' O ' ' A' ' 6' ' ' HIS . 0.1 OUTLIER -32.04 -47.03 0.13 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 129.447 3.099 . . . . 0.0 112.061 176.595 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.75 -40.14 92.39 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 124.856 1.217 . . . . 0.0 112.847 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 mt -73.2 20.98 0.08 Allowed 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 127.743 2.417 . . . . 0.0 112.742 170.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -145.62 25.36 1.33 Allowed 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 116.848 -1.941 . . . . 0.0 112.375 -164.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -133.74 71.96 74.02 Favored Pre-proline 0 N--CA 1.441 -0.896 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.158 168.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -50.48 159.32 2.16 Favored 'Trans proline' 0 CA--C 1.533 0.464 0 C-N-CA 124.461 3.441 . . . . 0.0 113.152 169.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.198 0 C-N-CA 124.056 0.942 . . . . 0.0 109.818 179.733 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.7 t . . . . . 0 N--CA 1.457 -0.106 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.1 m -66.98 -22.5 65.92 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 174.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -72.44 -54.57 8.96 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 118.306 0.503 . . . . 0.0 110.92 173.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.642 ' O ' HD23 ' A' ' 9' ' ' LEU . 1.1 p-80 -76.55 -10.2 59.22 Favored 'General case' 0 C--O 1.224 -0.284 0 C-N-CA 116.683 -2.007 . . . . 0.0 113.682 -162.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -36.29 -47.41 0.59 Allowed 'General case' 0 N--CA 1.438 -1.029 1 C-N-CA 132.03 4.132 . . . . 0.0 107.833 163.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -101.58 39.54 1.43 Allowed 'General case' 0 CA--C 1.503 -0.839 0 C-N-CA 130.875 3.67 . . . . 0.0 115.712 -166.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.642 HD23 ' O ' ' A' ' 6' ' ' HIS . 0.2 OUTLIER -65.0 -31.0 72.03 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 114.147 -3.021 . . . . 0.0 110.063 -164.735 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.7 mt -138.44 1.14 2.14 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.98 2.112 . . . . 0.0 112.222 161.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 168.03 151.58 0.11 Allowed Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 125.906 1.682 . . . . 0.0 108.393 -169.027 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -52.28 -14.14 2.62 Favored 'Trans proline' 0 CA--C 1.505 -0.973 1 C-N-CA 126.457 4.771 . . . . 0.0 120.566 -169.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.527 ' HA ' ' HG2' ' A' ' 15' ' ' ARG . 8.9 mtm105 -144.68 47.54 1.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 112.546 -3.662 . . . . 0.0 111.018 156.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.5 t -67.35 -22.54 29.03 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.827 0 CA-C-N 112.161 -2.291 . . . . 0.0 107.599 156.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.527 ' HG2' ' HA ' ' A' ' 13' ' ' ARG . 4.9 ptm180 -44.18 -43.81 7.35 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.71 1.604 . . . . 0.0 110.628 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.65 -36.35 39.76 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 125.109 1.337 . . . . 0.0 113.433 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.465 HD12 ' N ' ' A' ' 17' ' ' LEU . 7.8 mp -86.72 12.3 11.07 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 125.578 1.551 . . . . 0.0 110.83 -172.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.404 ' CD1' HD12 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -141.38 23.16 2.17 Favored 'General case' 0 CA--C 1.511 -0.529 0 C-N-CA 116.353 -2.139 . . . . 0.0 113.203 -155.05 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -134.01 73.52 70.41 Favored Pre-proline 0 N--CA 1.438 -1.042 0 O-C-N 123.499 0.5 . . . . 0.0 110.228 169.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -50.59 132.85 36.98 Favored 'Trans proline' 0 N--CA 1.456 -0.717 0 C-N-CA 123.721 2.947 . . . . 0.0 111.503 170.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.118 0 C-N-CA 124.015 0.926 . . . . 0.0 108.849 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.9 t . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 119.319 -0.372 . . . . 0.0 111.836 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.2 m -63.46 -33.88 76.54 Favored 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 168.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -65.35 -60.94 2.44 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 118.84 -0.6 . . . . 0.0 110.871 178.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -76.21 -21.67 56.17 Favored 'General case' 0 CA--C 1.514 -0.408 0 C-N-CA 116.727 -1.989 . . . . 0.0 113.195 -163.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -32.59 -43.03 0.08 Allowed 'General case' 0 C--O 1.211 -0.938 0 C-N-CA 129.255 3.022 . . . . 0.0 109.4 172.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -98.96 28.62 4.26 Favored 'General case' 0 N--CA 1.434 -1.258 0 C-N-CA 130.322 3.449 . . . . 0.0 114.83 -165.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.02 -46.81 82.8 Favored 'General case' 0 CA--C 1.521 -0.136 0 C-N-CA 115.679 -2.408 . . . . 0.0 108.508 -160.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.437 ' H ' HG11 ' A' ' 14' ' ' VAL . 2.1 mp -133.75 -4.46 2.87 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 129.455 3.102 . . . . 0.0 112.811 163.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.57 ' O ' HG12 ' A' ' 14' ' ' VAL . 16.7 t70 178.32 135.45 0.23 Allowed Pre-proline 0 N--CA 1.471 0.618 0 CA-C-O 116.304 -1.808 . . . . 0.0 110.95 -162.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -36.15 -32.52 0.11 Allowed 'Trans proline' 0 C--N 1.348 0.517 1 C-N-CA 126.149 4.566 . . . . 0.0 117.473 -178.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -147.04 49.44 1.12 Allowed 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 112.671 -3.612 . . . . 0.0 113.871 161.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.57 HG12 ' O ' ' A' ' 11' ' ' ASP . 7.1 p -65.34 -31.78 55.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 155.393 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -32.89 -48.67 0.21 Allowed 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 127.547 2.339 . . . . 0.0 110.556 173.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.74 -18.82 77.66 Favored Glycine 0 CA--C 1.529 0.912 0 C-N-CA 124.856 1.217 . . . . 0.0 113.496 -169.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.662 ' N ' HD23 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -89.77 3.85 51.53 Favored 'General case' 0 N--CA 1.434 -1.259 0 CA-C-N 119.284 1.542 . . . . 0.0 109.267 -178.009 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -147.8 36.76 0.87 Allowed 'General case' 0 CA--C 1.507 -0.694 0 N-CA-C 116.477 2.029 . . . . 0.0 116.477 -144.187 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -128.27 72.77 79.98 Favored Pre-proline 0 N--CA 1.442 -0.845 0 C-N-CA 120.026 -0.67 . . . . 0.0 110.241 163.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -48.85 127.99 17.95 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 123.872 3.048 . . . . 0.0 112.117 171.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.173 0 C-N-CA 124.402 1.081 . . . . 0.0 109.294 -178.389 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.2 t . . . . . 0 N--CA 1.456 -0.125 0 N-CA-C 111.521 0.193 . . . . 0.0 111.521 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 51.6 m -64.59 -26.8 68.56 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 169.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -68.37 -58.95 3.57 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 119.071 -0.49 . . . . 0.0 110.951 176.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -74.54 -16.07 60.84 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 116.929 -1.908 . . . . 0.0 112.988 -164.088 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -37.02 -37.12 0.14 Allowed 'General case' 0 N--CA 1.435 -1.198 0 C-N-CA 129.897 3.279 . . . . 0.0 109.185 165.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -100.62 30.68 3.83 Favored 'General case' 0 CA--C 1.505 -0.773 0 C-N-CA 126.851 2.061 . . . . 0.0 114.391 -170.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.58 -45.31 65.6 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 115.544 -2.463 . . . . 0.0 109.449 -160.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.556 ' H ' HG11 ' A' ' 14' ' ' VAL . 98.6 mt -139.92 3.47 2.02 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 128.373 2.669 . . . . 0.0 112.448 167.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.632 ' O ' HG12 ' A' ' 14' ' ' VAL . 19.5 t70 166.71 139.65 0.04 OUTLIER Pre-proline 0 N--CA 1.478 0.952 0 CA-C-O 116.628 -1.653 . . . . 0.0 110.249 -162.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_exo -31.42 -44.0 0.14 Allowed 'Trans proline' 0 C--N 1.349 0.585 1 C-N-CA 125.671 4.248 . . . . 0.0 117.13 173.478 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.92 54.03 1.22 Allowed 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 113.107 -3.437 . . . . 0.0 113.071 166.242 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.632 HG12 ' O ' ' A' ' 11' ' ' ASP . 7.7 p -65.89 -32.89 60.17 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 CA-C-N 113.795 -1.548 . . . . 0.0 107.982 152.292 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -32.39 -52.48 0.29 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 130.281 3.432 . . . . 0.0 110.758 -179.325 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.89 -38.25 83.14 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 125.029 1.3 . . . . 0.0 113.397 -176.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 mt -80.65 17.1 1.19 Allowed 'General case' 0 CA--C 1.519 -0.221 0 C-N-CA 126.57 1.948 . . . . 0.0 112.237 178.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -143.13 25.02 1.77 Allowed 'General case' 0 CA--C 1.518 -0.255 0 C-N-CA 116.182 -2.207 . . . . 0.0 112.382 -159.428 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -133.03 75.43 71.97 Favored Pre-proline 0 N--CA 1.445 -0.706 0 C-N-CA 123.706 0.802 . . . . 0.0 109.784 172.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -49.18 144.48 16.7 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 124.413 3.409 . . . . 0.0 112.657 171.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.206 0 C-N-CA 123.789 0.836 . . . . 0.0 109.572 179.311 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 54.4 m . . . . . 0 N--CA 1.444 -0.742 0 CA-C-O 119.171 -0.442 . . . . 0.0 111.513 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 51.0 m -66.28 -25.75 67.01 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 173.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -74.13 -57.43 3.97 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 118.771 -0.633 . . . . 0.0 110.819 173.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.616 ' O ' HD23 ' A' ' 9' ' ' LEU . 1.3 p-80 -78.54 -8.47 58.61 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 116.601 -2.04 . . . . 0.0 113.307 -163.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.02 -50.27 1.78 Allowed 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 129.951 3.3 . . . . 0.0 106.402 166.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -97.05 38.57 1.23 Allowed 'General case' 0 N--CA 1.437 -1.096 0 C-N-CA 131.501 3.921 . . . . 0.0 115.281 -163.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.616 HD23 ' O ' ' A' ' 6' ' ' HIS . 0.2 OUTLIER -65.48 -28.12 68.98 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 113.968 -3.093 . . . . 0.0 109.166 -167.031 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.2 mt -139.04 0.02 1.91 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 127.253 2.221 . . . . 0.0 112.534 161.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 168.19 145.36 0.07 OUTLIER Pre-proline 0 CA--C 1.548 0.893 0 CA-C-O 116.258 -1.83 . . . . 0.0 108.748 -169.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -48.67 -4.85 0.04 OUTLIER 'Trans proline' 0 N--CA 1.486 1.066 1 C-N-CA 128.102 5.868 . . . . 0.0 120.871 -170.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.3 mtm105 -147.06 41.6 1.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 114.204 -2.998 . . . . 0.0 110.947 156.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 70.7 t -70.74 -25.3 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 CA-C-N 113.544 -1.662 . . . . 0.0 108.543 163.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.448 ' HB3' ' O ' ' A' ' 6' ' ' HIS . 0.2 OUTLIER -31.4 -45.37 0.08 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 127.279 2.232 . . . . 0.0 111.456 169.684 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.27 -39.16 81.29 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 125.047 1.308 . . . . 0.0 112.827 -178.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.421 HD12 ' N ' ' A' ' 17' ' ' LEU . 7.7 mp -81.9 12.65 3.87 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 126.122 1.769 . . . . 0.0 111.101 -175.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -142.67 17.68 2.0 Favored 'General case' 0 CA--C 1.511 -0.53 0 C-N-CA 116.112 -2.235 . . . . 0.0 113.777 -155.011 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -131.04 71.11 82.52 Favored Pre-proline 0 N--CA 1.439 -1.016 0 O-C-N 123.632 0.583 . . . . 0.0 110.524 169.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -48.63 142.89 17.41 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 124.33 3.354 . . . . 0.0 112.142 167.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.214 0 C-N-CA 123.699 0.8 . . . . 0.0 109.594 179.094 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.7 t . . . . . 0 N--CA 1.464 0.25 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 46.0 m -55.83 -26.67 47.73 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 169.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -63.23 -64.77 0.81 Allowed 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 123.614 0.766 . . . . 0.0 111.614 177.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -79.54 -14.45 58.85 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 117.988 -1.485 . . . . 0.0 112.83 -163.262 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.38 -22.25 0.01 OUTLIER 'General case' 0 C--O 1.214 -0.777 0 C-N-CA 130.53 3.532 . . . . 0.0 112.877 169.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -110.6 24.56 12.81 Favored 'General case' 0 CA--C 1.504 -0.823 0 C-N-CA 127.285 2.234 . . . . 0.0 115.531 -175.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 mt -66.81 -49.99 64.05 Favored 'General case' 0 CA--C 1.513 -0.465 0 C-N-CA 115.403 -2.519 . . . . 0.0 109.066 -159.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.419 ' H ' HG11 ' A' ' 14' ' ' VAL . 2.3 mp -131.47 0.13 4.02 Favored 'General case' 0 C--N 1.315 -0.898 0 C-N-CA 127.671 2.388 . . . . 0.0 111.74 166.363 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.2 t70 171.86 158.61 0.24 Allowed Pre-proline 0 N--CA 1.479 1.015 0 C-N-CA 124.999 1.32 . . . . 0.0 110.128 -164.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER -29.84 -63.0 0.1 OUTLIER 'Trans proline' 0 C--N 1.351 0.692 1 C-N-CA 126.525 4.817 . . . . 0.0 117.182 162.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.43 ' HA ' ' HG2' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -145.43 46.21 1.3 Allowed 'General case' 0 CA--C 1.52 -0.212 0 C-N-CA 114.987 -2.685 . . . . 0.0 112.749 176.485 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.453 HG22 ' CD1' ' A' ' 18' ' ' TYR . 13.4 p -60.32 -32.66 51.43 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.371 0 CA-C-N 111.534 -2.575 . . . . 0.0 106.938 145.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.43 ' HG2' ' HA ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -45.42 -38.64 6.2 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 127.204 2.202 . . . . 0.0 110.039 -176.87 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.29 -36.8 91.83 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 124.226 0.917 . . . . 0.0 112.471 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.489 HD12 ' N ' ' A' ' 17' ' ' LEU . 6.9 mp -84.95 8.89 16.04 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 125.148 1.379 . . . . 0.0 110.341 -175.139 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.453 ' CD1' HG22 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -130.06 24.67 5.27 Favored 'General case' 0 CA--C 1.517 -0.321 0 C-N-CA 117.73 -1.588 . . . . 0.0 111.833 -154.002 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -131.7 70.87 81.18 Favored Pre-proline 0 N--CA 1.438 -1.031 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.83 169.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -47.41 132.4 19.64 Favored 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 124.349 3.366 . . . . 0.0 112.122 170.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.193 0 C-N-CA 123.832 0.853 . . . . 0.0 109.218 178.228 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 59.1 m . . . . . 0 N--CA 1.445 -0.69 0 CA-C-O 119.311 -0.375 . . . . 0.0 111.898 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 93.4 m -63.66 -30.95 71.99 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 172.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -66.19 -60.0 3.22 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-O 119.109 -0.472 . . . . 0.0 111.058 173.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -76.85 -15.1 59.81 Favored 'General case' 0 CA--C 1.515 -0.383 0 C-N-CA 117.302 -1.759 . . . . 0.0 113.37 -162.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -36.44 -49.17 0.71 Allowed 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 128.414 2.686 . . . . 0.0 107.435 172.391 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.89 34.6 1.51 Allowed 'General case' 0 N--CA 1.437 -1.119 1 C-N-CA 131.891 4.076 . . . . 0.0 114.482 -165.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.58 -31.02 71.84 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 114.79 -2.764 . . . . 0.0 109.638 -163.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 97.6 mt -136.15 0.68 2.62 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 127.166 2.187 . . . . 0.0 112.448 161.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 166.88 146.58 0.05 OUTLIER Pre-proline 0 CA--C 1.544 0.748 0 CA-C-O 116.207 -1.854 . . . . 0.0 108.596 -167.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -63.92 14.1 0.08 OUTLIER 'Trans proline' 0 N--CA 1.483 0.854 1 C-N-CA 125.574 4.182 . . . . 0.0 118.837 -165.415 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 46.2 mtp180 -153.82 43.94 0.57 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 122.423 2.374 . . . . 0.0 109.032 149.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.9 t -67.13 -32.05 55.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 166.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -27.54 -60.76 0.1 Allowed 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 129.522 3.129 . . . . 0.0 110.877 171.156 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.45 -25.17 68.37 Favored Glycine 0 CA--C 1.533 1.213 0 CA-C-N 119.913 1.233 . . . . 0.0 113.561 -172.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 mt -85.73 13.96 6.49 Favored 'General case' 0 CA--C 1.514 -0.43 0 C-N-CA 125.932 1.693 . . . . 0.0 111.6 176.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -160.08 36.25 0.18 Allowed 'General case' 0 CA--C 1.508 -0.651 0 C-N-CA 115.462 -2.495 . . . . 0.0 115.631 -158.232 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -129.74 72.23 81.98 Favored Pre-proline 0 N--CA 1.441 -0.88 0 O-C-N 123.78 0.675 . . . . 0.0 110.323 162.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -50.71 130.74 31.4 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 123.827 3.018 . . . . 0.0 112.187 171.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.189 0 C-N-CA 123.877 0.871 . . . . 0.0 109.476 179.204 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.401 ' HA ' ' CE1' ' A' ' 6' ' ' HIS . 14.9 t . . . . . 0 N--CA 1.456 -0.136 0 CA-C-O 119.442 -0.313 . . . . 0.0 111.541 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.0 m -58.89 -31.92 69.03 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 172.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -59.12 -54.99 40.74 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 123.987 0.915 . . . . 0.0 111.917 174.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.401 ' CE1' ' HA ' ' A' ' 3' ' ' THR . 1.6 p-80 -74.96 -23.02 58.23 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 117.988 -1.485 . . . . 0.0 112.8 -164.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.415 ' HG2' ' HA ' ' A' ' 12' ' ' PRO . 4.9 tt0 -50.16 -11.35 0.07 Allowed 'General case' 0 CA--C 1.549 0.94 1 C-N-CA 132.004 4.122 . . . . 0.0 111.289 169.57 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -113.17 18.26 18.07 Favored 'General case' 0 CA--C 1.503 -0.836 0 N-CA-C 117.847 2.536 . . . . 0.0 117.847 -178.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.502 HD23 ' HB3' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -66.96 -50.49 62.13 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 116.694 -2.002 . . . . 0.0 109.7 -162.403 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.646 ' H ' HG11 ' A' ' 14' ' ' VAL . 35.4 mt -142.36 4.37 1.58 Allowed 'General case' 0 C--N 1.313 -0.999 0 C-N-CA 129.025 2.93 . . . . 0.0 111.517 166.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.0 t70 175.33 159.07 0.39 Allowed Pre-proline 0 N--CA 1.478 0.967 0 C-N-CA 123.079 0.552 . . . . 0.0 110.777 -163.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.415 ' HA ' ' HG2' ' A' ' 7' ' ' GLN . 34.3 Cg_exo -50.11 -38.62 50.56 Favored 'Trans proline' 0 CA--C 1.503 -1.047 0 C-N-CA 124.49 3.46 . . . . 0.0 117.747 169.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.54 48.43 0.81 Allowed 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 113.054 -3.458 . . . . 0.0 112.706 168.415 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.646 HG11 ' H ' ' A' ' 10' ' ' LEU . 7.3 p -59.36 -29.19 41.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-N 112.224 -2.262 . . . . 0.0 108.177 150.334 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -39.73 -43.52 1.41 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 128.708 2.803 . . . . 0.0 111.321 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.52 -36.79 64.95 Favored Glycine 0 CA--C 1.539 1.543 0 CA-C-N 119.611 1.096 . . . . 0.0 113.536 179.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 mt -81.94 19.08 1.17 Allowed 'General case' 0 CA--C 1.516 -0.335 0 C-N-CA 127.64 2.376 . . . . 0.0 112.589 177.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.502 ' HB3' HD23 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -146.1 20.95 1.41 Allowed 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 114.947 -2.701 . . . . 0.0 114.144 -157.467 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -133.97 72.24 72.65 Favored Pre-proline 0 N--CA 1.439 -0.982 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.711 169.591 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -47.61 138.4 19.36 Favored 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 124.323 3.349 . . . . 0.0 112.675 171.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.191 0 C-N-CA 124.136 0.974 . . . . 0.0 109.625 -179.608 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 26.0 m . . . . . 0 N--CA 1.446 -0.657 0 N-CA-C 111.6 0.222 . . . . 0.0 111.6 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 23.6 m -62.98 -28.95 70.44 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 173.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -66.57 -56.8 9.1 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 118.447 -0.787 . . . . 0.0 111.556 172.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -74.08 -19.45 60.6 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 115.395 -2.522 . . . . 0.0 112.559 -161.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.29 -36.22 0.32 Allowed 'General case' 0 C--O 1.212 -0.911 0 C-N-CA 129.679 3.192 . . . . 0.0 109.471 169.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -102.56 19.2 19.48 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 128.197 2.599 . . . . 0.0 116.83 -164.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 mp -67.94 -40.97 83.2 Favored 'General case' 0 CA--C 1.515 -0.383 0 C-N-CA 114.858 -2.737 . . . . 0.0 110.908 -159.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.563 ' H ' HG11 ' A' ' 14' ' ' VAL . 94.7 mt -137.08 0.45 2.36 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 126.801 2.041 . . . . 0.0 112.953 168.116 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.572 ' O ' HG12 ' A' ' 14' ' ' VAL . 18.7 t70 170.71 138.7 0.08 OUTLIER Pre-proline 0 N--CA 1.474 0.769 0 CA-C-O 116.372 -1.775 . . . . 0.0 111.159 -162.415 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -34.53 -35.19 0.09 OUTLIER 'Trans proline' 0 CA--C 1.512 -0.612 1 C-N-CA 126.245 4.63 . . . . 0.0 117.334 174.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.3 mtm105 -147.08 48.81 1.13 Allowed 'General case' 0 C--N 1.339 0.147 0 C-N-CA 112.464 -3.694 . . . . 0.0 113.779 162.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.572 HG12 ' O ' ' A' ' 11' ' ' ASP . 10.7 p -65.93 -25.68 36.69 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.313 0 CA-C-N 114.974 -1.012 . . . . 0.0 108.886 154.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -35.7 -47.39 0.48 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 128.759 2.824 . . . . 0.0 111.118 177.133 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.6 -41.87 93.84 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 125.262 1.411 . . . . 0.0 112.803 177.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mt -70.58 19.61 0.05 OUTLIER 'General case' 0 CA--C 1.519 -0.236 0 C-N-CA 127.358 2.263 . . . . 0.0 113.017 169.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -145.98 25.07 1.3 Allowed 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 117.262 -1.775 . . . . 0.0 112.195 -166.188 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -129.64 70.91 82.14 Favored Pre-proline 0 N--CA 1.442 -0.832 0 C-N-CA 123.203 0.601 . . . . 0.0 109.702 168.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -46.33 126.3 9.9 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 124.554 3.503 . . . . 0.0 112.215 171.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.181 0 C-N-CA 124.272 1.029 . . . . 0.0 109.441 -179.086 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 N--CA 1.455 -0.217 0 CA-C-O 119.536 -0.269 . . . . 0.0 111.611 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.4 m -65.43 -30.47 71.27 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 171.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -62.3 -56.17 21.09 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 118.693 -0.67 . . . . 0.0 110.848 173.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.609 ' O ' HD23 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -76.15 -14.25 60.17 Favored 'General case' 0 C--O 1.222 -0.355 0 C-N-CA 115.86 -2.336 . . . . 0.0 112.518 -164.413 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -52.94 -15.22 0.71 Allowed 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 129.267 3.027 . . . . 0.0 110.457 169.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -112.1 32.11 5.76 Favored 'General case' 0 CA--C 1.508 -0.641 0 C-N-CA 127.401 2.28 . . . . 0.0 115.48 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.609 HD23 ' O ' ' A' ' 6' ' ' HIS . 0.3 OUTLIER -67.16 -46.39 74.15 Favored 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 114.295 -2.962 . . . . 0.0 108.845 -161.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.45 ' H ' HG11 ' A' ' 14' ' ' VAL . 28.9 mt -140.3 6.7 2.14 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 111.251 -2.704 . . . . 0.0 111.152 165.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.4 t70 172.5 155.37 0.24 Allowed Pre-proline 0 N--CA 1.478 0.941 0 C-N-CA 124.598 1.159 . . . . 0.0 110.174 -165.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -27.37 -63.77 0.07 OUTLIER 'Trans proline' 0 C--N 1.351 0.67 1 C-N-CA 126.373 4.715 . . . . 0.0 116.551 161.685 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.93 47.45 1.43 Allowed 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 113.981 -3.088 . . . . 0.0 113.704 175.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.45 HG11 ' H ' ' A' ' 10' ' ' LEU . 14.2 p -62.93 -25.77 39.3 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.386 0 CA-C-N 112.376 -2.193 . . . . 0.0 107.988 147.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.424 ' HB3' ' O ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -41.02 -36.45 0.68 Allowed 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 127.286 2.235 . . . . 0.0 110.769 176.189 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.63 -34.92 90.23 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 124.982 1.277 . . . . 0.0 113.249 178.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.45 HD12 ' N ' ' A' ' 17' ' ' LEU . 8.1 mp -78.64 9.03 4.42 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 126.54 1.936 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -133.52 21.03 3.94 Favored 'General case' 0 CA--C 1.511 -0.544 0 C-N-CA 118.133 -1.427 . . . . 0.0 113.104 -152.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -132.28 70.41 80.04 Favored Pre-proline 0 N--CA 1.442 -0.861 0 O-C-N 123.881 0.738 . . . . 0.0 111.393 168.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -56.81 158.32 17.19 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 123.833 3.022 . . . . 0.0 111.912 166.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.235 0 C-N-CA 123.362 0.665 . . . . 0.0 109.508 173.51 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.454 ' HA ' ' CE1' ' A' ' 6' ' ' HIS . 20.8 m . . . . . 0 N--CA 1.447 -0.617 0 CA-C-O 119.003 -0.522 . . . . 0.0 111.797 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.8 m -64.15 -29.36 70.48 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 169.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -71.41 -54.23 11.4 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 119.092 -0.48 . . . . 0.0 112.038 177.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.454 ' CE1' ' HA ' ' A' ' 3' ' ' THR . 1.6 p-80 -74.14 -21.1 60.01 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 117.701 -1.6 . . . . 0.0 112.466 -163.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -49.33 -13.78 0.08 Allowed 'General case' 0 CA--C 1.553 1.088 1 C-N-CA 132.027 4.131 . . . . 0.0 110.959 172.427 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -110.82 14.34 22.18 Favored 'General case' 0 CA--C 1.5 -0.956 0 N-CA-C 117.724 2.49 . . . . 0.0 117.724 -174.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.478 HD23 ' HB3' ' A' ' 18' ' ' TYR . 0.1 OUTLIER -67.86 -48.63 65.61 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 116.849 -1.94 . . . . 0.0 108.833 -162.529 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.776 ' H ' HG11 ' A' ' 14' ' ' VAL . 44.2 mt -141.92 4.18 1.66 Allowed 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 128.951 2.9 . . . . 0.0 111.28 162.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.61 ' O ' HG12 ' A' ' 14' ' ' VAL . 0.6 OUTLIER 170.04 155.5 0.19 Allowed Pre-proline 0 CA--C 1.546 0.817 0 C-N-CA 123.575 0.75 . . . . 0.0 111.29 -162.896 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_exo -51.16 -32.26 39.38 Favored 'Trans proline' 0 CA--C 1.499 -1.273 0 C-N-CA 125.105 3.87 . . . . 0.0 117.955 175.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.71 53.51 0.72 Allowed 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 112.576 -3.65 . . . . 0.0 111.344 165.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.776 HG11 ' H ' ' A' ' 10' ' ' LEU . 15.0 p -64.05 -25.19 37.53 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 CA-C-N 110.529 -3.032 . . . . 0.0 108.531 149.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 ppt_? -47.46 -41.3 20.25 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 128.447 2.699 . . . . 0.0 111.838 -173.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.99 -33.8 51.19 Favored Glycine 0 CA--C 1.538 1.523 0 C-N-CA 124.259 0.933 . . . . 0.0 113.149 177.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 mt -84.73 21.59 1.51 Allowed 'General case' 0 CA--C 1.518 -0.282 0 C-N-CA 127.592 2.357 . . . . 0.0 112.511 177.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.478 ' HB3' HD23 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -150.96 22.27 0.77 Allowed 'General case' 0 CA--C 1.511 -0.534 0 C-N-CA 115.528 -2.469 . . . . 0.0 114.808 -160.338 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -133.02 71.83 77.34 Favored Pre-proline 0 N--CA 1.438 -1.069 0 O-C-N 123.44 0.463 . . . . 0.0 109.854 167.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -49.99 128.24 21.54 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 124.138 3.225 . . . . 0.0 112.259 174.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.194 0 C-N-CA 124.076 0.95 . . . . 0.0 109.602 -179.573 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.7 t . . . . . 0 N--CA 1.456 -0.154 0 CA-C-O 119.724 -0.179 . . . . 0.0 111.398 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 20.5 m -65.66 -30.64 71.36 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 169.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -62.39 -55.68 25.6 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 118.312 -0.851 . . . . 0.0 111.012 176.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -69.48 -23.58 63.66 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 116.538 -2.065 . . . . 0.0 111.23 -167.175 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.418 ' O ' ' HA ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -55.62 1.04 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 129.959 3.303 . . . . 0.0 110.932 169.747 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -113.95 19.74 16.31 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 126.998 2.119 . . . . 0.0 115.375 172.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 mt -69.3 -53.95 17.08 Favored 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 116.259 -2.176 . . . . 0.0 109.363 -156.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 mp -127.68 7.14 6.22 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 127.266 2.227 . . . . 0.0 111.669 168.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 169.91 177.42 0.09 OUTLIER Pre-proline 0 N--CA 1.467 0.381 0 C-N-CA 125.782 1.633 . . . . 0.0 106.853 -166.264 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.418 ' HA ' ' O ' ' A' ' 7' ' ' GLN . 4.5 Cg_exo -31.35 -117.65 0.0 OUTLIER 'Trans proline' 0 CA--C 1.51 -0.713 1 C-N-CA 126.398 4.732 . . . . 0.0 115.743 143.89 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.1 mtm180 -103.01 36.99 2.06 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 116.317 -2.153 . . . . 0.0 112.033 -158.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.9 p -60.55 -27.33 40.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-N 111.92 -2.4 . . . . 0.0 108.696 155.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.4 -42.26 2.22 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.984 2.114 . . . . 0.0 110.452 176.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.0 -37.23 57.86 Favored Glycine 0 CA--C 1.53 0.971 0 C-N-CA 125.054 1.311 . . . . 0.0 112.499 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.503 HD12 ' N ' ' A' ' 17' ' ' LEU . 8.4 mp -84.75 15.96 3.57 Favored 'General case' 0 N--CA 1.44 -0.942 0 C-N-CA 125.945 1.698 . . . . 0.0 110.904 -172.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -140.69 20.64 2.34 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 117.406 -1.718 . . . . 0.0 112.074 -161.203 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -135.52 71.86 65.12 Favored Pre-proline 0 N--CA 1.434 -1.226 0 C-N-CA 123.871 0.868 . . . . 0.0 108.832 169.441 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -48.95 155.21 2.76 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 124.046 3.164 . . . . 0.0 112.327 170.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.196 0 C-N-CA 124.185 0.994 . . . . 0.0 109.695 -177.986 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.232 0.173 0 CA-C-O 119.002 -0.523 . . . . 0.0 112.293 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 34.5 m -74.03 -20.63 60.24 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 173.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -70.84 -59.56 2.73 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 119.59 -0.243 . . . . 0.0 110.387 169.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -75.28 -15.16 60.54 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 117.893 -1.523 . . . . 0.0 112.996 -161.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -29.12 -51.65 0.1 Allowed 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 130.491 3.516 . . . . 0.0 107.505 168.692 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.4 36.68 1.23 Allowed 'General case' 0 N--CA 1.436 -1.167 0 C-N-CA 131.499 3.919 . . . . 0.0 114.085 -166.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 15' ' ' ARG . 0.4 OUTLIER -65.99 -25.13 66.95 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 114.822 -2.751 . . . . 0.0 109.496 -165.385 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 90.4 mt -137.25 -5.0 1.86 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 127.741 2.417 . . . . 0.0 112.638 157.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 168.55 149.87 0.11 Allowed Pre-proline 0 CA--C 1.547 0.855 0 C-N-CA 126.493 1.917 . . . . 0.0 108.957 -166.513 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -60.16 4.03 0.2 Allowed 'Trans proline' 0 N--CA 1.481 0.784 1 C-N-CA 125.415 4.076 . . . . 0.0 119.275 -161.335 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.6 mtm-85 -148.87 41.4 0.93 Allowed 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 124.177 3.171 . . . . 0.0 110.024 153.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.1 t -67.48 -28.84 43.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 C-N-CA 125.274 1.43 . . . . 0.0 108.794 165.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.411 ' HA ' HD12 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -32.01 -50.58 0.22 Allowed 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 128.002 2.521 . . . . 0.0 111.468 169.383 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.29 -34.85 68.62 Favored Glycine 0 C--N 1.34 0.769 0 C-N-CA 124.385 0.993 . . . . 0.0 112.209 -175.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.521 HD12 ' N ' ' A' ' 17' ' ' LEU . 7.9 mp -86.36 19.07 2.9 Favored 'General case' 0 N--CA 1.435 -1.199 0 C-N-CA 124.883 1.273 . . . . 0.0 110.067 -171.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -149.32 14.96 0.89 Allowed 'General case' 0 C--N 1.343 0.312 0 C-N-CA 116.522 -2.071 . . . . 0.0 114.093 -160.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -133.01 74.71 73.34 Favored Pre-proline 0 N--CA 1.444 -0.759 0 C-N-CA 122.627 0.371 . . . . 0.0 110.794 172.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.79 144.48 76.59 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 123.691 2.928 . . . . 0.0 111.604 167.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.265 0 C-N-CA 123.627 0.771 . . . . 0.0 109.729 178.339 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 . . . . . 0 N--CA 1.475 0.78 0 CA-C-O 118.663 -0.684 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -57.46 -17.08 11.49 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.292 0.951 . . . . 0.0 112.179 171.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.2 m -75.27 -34.87 61.39 Favored 'General case' 0 N--CA 1.446 -0.667 0 O-C-N 121.248 -0.908 . . . . 0.0 111.489 176.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 49.0 m -67.98 -26.92 66.16 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 174.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -69.23 -59.22 3.16 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 119.031 -0.509 . . . . 0.0 110.735 170.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -73.72 -16.7 61.18 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 117.11 -1.836 . . . . 0.0 113.211 -162.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -33.1 -50.28 0.28 Allowed 'General case' 0 C--O 1.221 -0.406 0 C-N-CA 129.344 3.058 . . . . 0.0 107.112 169.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.33 36.66 1.32 Allowed 'General case' 0 N--CA 1.436 -1.129 1 C-N-CA 131.758 4.023 . . . . 0.0 114.426 -166.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.06 -29.61 69.98 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 114.507 -2.877 . . . . 0.0 109.397 -164.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 35.1 mt -139.46 3.32 2.11 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 127.431 2.292 . . . . 0.0 112.133 161.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 166.5 143.74 0.05 OUTLIER Pre-proline 0 CA--C 1.544 0.747 0 CA-C-O 116.074 -1.917 . . . . 0.0 108.053 -168.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -50.48 -0.88 0.04 OUTLIER 'Trans proline' 0 N--CA 1.489 1.237 1 C-N-CA 128.217 5.945 . . . . 0.0 120.6 -172.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.0 mtm180 -150.15 44.4 0.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 114.846 -2.742 . . . . 0.0 110.552 154.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 56.1 t -66.9 -31.64 54.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 114.415 -1.266 . . . . 0.0 108.263 164.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -29.4 -59.54 0.15 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 129.198 2.999 . . . . 0.0 110.974 172.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.64 -24.59 69.72 Favored Glycine 0 CA--C 1.532 1.118 0 CA-C-N 119.71 1.141 . . . . 0.0 113.466 -172.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 mt -84.14 16.43 2.96 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 125.528 1.531 . . . . 0.0 111.615 176.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -160.2 30.45 0.17 Allowed 'General case' 0 CA--C 1.511 -0.52 0 C-N-CA 115.392 -2.523 . . . . 0.0 115.543 -159.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -129.35 71.13 82.07 Favored Pre-proline 0 N--CA 1.442 -0.857 0 O-C-N 123.539 0.525 . . . . 0.0 110.352 164.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -45.88 122.0 4.75 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 124.54 3.493 . . . . 0.0 111.775 167.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.08 61.0 6.6 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.958 0.903 . . . . 0.0 109.648 -176.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 178.24 69.05 0.06 OUTLIER Glycine 0 CA--C 1.525 0.698 0 N-CA-C 109.701 -1.359 . . . . 0.0 109.701 -178.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.108 0 CA-C-O 117.355 -1.803 . . . . 0.0 109.862 177.856 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 N--CA 1.474 0.728 0 CA-C-O 118.654 -0.689 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 m -53.26 -25.76 15.67 Favored 'General case' 0 C--N 1.346 0.447 0 CA-C-N 119.129 0.877 . . . . 0.0 112.055 169.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.418 ' HA ' ' CD2' ' A' ' 6' ' ' HIS . 86.0 m -77.62 -34.77 53.2 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 123.911 0.884 . . . . 0.0 112.245 -178.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.2 m -67.19 -28.11 67.82 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 170.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -67.03 -63.56 1.03 Allowed 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 118.007 -0.997 . . . . 0.0 111.018 175.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.418 ' CD2' ' HA ' ' A' ' 3' ' ' THR . 0.0 OUTLIER -78.55 -9.53 59.38 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 115.313 -2.555 . . . . 0.0 113.048 -162.584 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -29.36 -40.34 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.039 0 C-N-CA 130.819 3.647 . . . . 0.0 110.562 168.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -100.26 24.46 8.73 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 126.704 2.002 . . . . 0.0 115.967 -167.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 mt -67.21 -40.09 86.39 Favored 'General case' 0 CA--C 1.517 -0.308 0 C-N-CA 115.641 -2.424 . . . . 0.0 110.263 -161.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.503 ' H ' HG11 ' A' ' 14' ' ' VAL . 42.2 mt -140.84 -2.52 1.33 Allowed 'General case' 0 C--N 1.317 -0.838 0 C-N-CA 127.35 2.26 . . . . 0.0 112.654 164.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.603 ' O ' HG12 ' A' ' 14' ' ' VAL . 0.6 OUTLIER 168.9 144.4 0.07 OUTLIER Pre-proline 0 N--CA 1.477 0.891 0 CA-C-O 117.559 -1.21 . . . . 0.0 110.725 -165.678 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -36.46 -43.07 0.76 Allowed 'Trans proline' 0 C--N 1.35 0.634 1 C-N-CA 126.046 4.497 . . . . 0.0 118.395 -174.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.421 ' HA ' ' HG2' ' A' ' 15' ' ' ARG . 0.4 OUTLIER -144.72 47.54 1.35 Allowed 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 114.578 -2.849 . . . . 0.0 111.875 167.504 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.603 HG12 ' O ' ' A' ' 11' ' ' ASP . 7.2 p -62.75 -25.27 37.86 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-N 112.51 -2.132 . . . . 0.0 108.642 150.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.421 ' HG2' ' HA ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -56.0 -41.72 75.27 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 126.812 2.045 . . . . 0.0 110.086 -167.508 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.28 -32.76 64.14 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 124.341 0.972 . . . . 0.0 112.881 175.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 mt -81.52 21.68 0.77 Allowed 'General case' 0 C--N 1.34 0.178 0 C-N-CA 125.966 1.707 . . . . 0.0 112.284 174.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -146.46 25.8 1.19 Allowed 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 116.684 -2.006 . . . . 0.0 112.371 -164.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -133.2 73.96 73.57 Favored Pre-proline 0 N--CA 1.441 -0.889 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 168.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -49.74 127.24 18.33 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.928 3.085 . . . . 0.0 112.244 175.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.36 62.25 7.37 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 124.27 1.028 . . . . 0.0 109.411 -178.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -162.91 69.24 0.22 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.271 0 CA-C-O 117.546 -1.697 . . . . 0.0 110.079 179.633 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 . . . . . 0 N--CA 1.474 0.752 0 CA-C-O 118.813 -0.613 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -58.34 -30.45 66.73 Favored 'General case' 0 C--N 1.347 0.481 0 CA-C-N 119.143 0.883 . . . . 0.0 112.387 -178.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.6 t -84.49 -35.59 22.83 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 118.458 0.572 . . . . 0.0 111.142 -173.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.2 m -64.7 -31.46 72.7 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 170.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -66.36 -59.4 3.73 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 118.764 -0.636 . . . . 0.0 110.789 174.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.63 ' O ' HD23 ' A' ' 9' ' ' LEU . 1.1 p-80 -77.68 -11.57 59.88 Favored 'General case' 0 C--O 1.221 -0.397 0 C-N-CA 116.086 -2.246 . . . . 0.0 113.098 -162.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.9 -39.25 1.77 Allowed 'General case' 0 C--O 1.212 -0.907 0 C-N-CA 128.046 2.538 . . . . 0.0 108.456 169.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -100.28 31.97 3.19 Favored 'General case' 0 N--CA 1.441 -0.911 0 C-N-CA 128.888 2.875 . . . . 0.0 114.691 -166.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.63 HD23 ' O ' ' A' ' 6' ' ' HIS . 0.2 OUTLIER -65.42 -42.82 92.1 Favored 'General case' 0 CA--C 1.519 -0.245 0 C-N-CA 114.684 -2.806 . . . . 0.0 109.231 -162.318 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.409 ' H ' ' CG1' ' A' ' 14' ' ' VAL . 46.0 mt -141.57 3.52 1.69 Allowed 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 128.482 2.713 . . . . 0.0 111.97 165.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.556 ' O ' HG12 ' A' ' 14' ' ' VAL . 18.5 t70 171.74 136.86 0.09 OUTLIER Pre-proline 0 N--CA 1.474 0.773 0 CA-C-O 116.215 -1.85 . . . . 0.0 110.75 -163.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -32.21 -36.88 0.06 OUTLIER 'Trans proline' 0 C--N 1.351 0.69 1 C-N-CA 126.796 4.997 . . . . 0.0 117.51 177.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -147.72 49.2 1.08 Allowed 'General case' 0 C--N 1.34 0.174 0 C-N-CA 112.361 -3.736 . . . . 0.0 113.654 162.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.556 HG12 ' O ' ' A' ' 11' ' ' ASP . 12.2 p -66.5 -26.27 37.18 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-N 114.937 -1.029 . . . . 0.0 108.587 154.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.455 ' HB3' ' O ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -33.79 -46.15 0.21 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 129.382 3.073 . . . . 0.0 112.041 177.023 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.13 -34.42 87.96 Favored Glycine 0 CA--C 1.541 1.703 0 CA-C-N 119.674 1.124 . . . . 0.0 113.124 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mt -76.01 21.04 0.17 Allowed 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 127.586 2.354 . . . . 0.0 112.396 170.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -146.62 24.59 1.22 Allowed 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 116.702 -1.999 . . . . 0.0 112.785 -162.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -131.17 72.32 81.49 Favored Pre-proline 0 N--CA 1.441 -0.917 0 O-C-N 123.7 0.625 . . . . 0.0 110.269 169.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -46.27 125.91 9.34 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 124.331 3.354 . . . . 0.0 111.864 168.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.43 61.14 6.65 Favored 'General case' 0 C--N 1.339 0.139 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.57 45.76 92.8 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 -169.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.132 0 CA-C-O 117.078 -1.957 . . . . 0.0 109.463 -171.1 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 30.4 t-20 . . . . . 0 N--CA 1.475 0.823 0 CA-C-O 118.341 -0.838 . . . . 0.0 109.634 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.1 p -47.94 -32.83 6.87 Favored 'General case' 0 C--N 1.347 0.496 0 CA-C-N 119.789 1.177 . . . . 0.0 112.463 170.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 61.0 m -80.53 -34.89 35.19 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 123.843 0.857 . . . . 0.0 111.699 -177.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.9 m -63.41 -32.92 74.49 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 170.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -68.5 -58.72 3.89 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 119.045 -0.502 . . . . 0.0 111.344 176.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -73.91 -25.47 60.01 Favored 'General case' 0 CA--C 1.513 -0.453 0 C-N-CA 117.014 -1.874 . . . . 0.0 112.8 -163.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -36.83 -41.03 0.3 Allowed 'General case' 0 C--O 1.212 -0.903 0 C-N-CA 128.969 2.908 . . . . 0.0 108.067 174.062 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.8 21.79 7.11 Favored 'General case' 0 N--CA 1.439 -0.978 0 C-N-CA 129.375 3.07 . . . . 0.0 116.006 -164.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.538 HD23 ' HB3' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -63.59 -44.92 92.6 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 116.811 -1.956 . . . . 0.0 110.638 -163.598 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.579 ' H ' HG11 ' A' ' 14' ' ' VAL . 46.4 mt -141.98 0.13 1.36 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 111.807 -2.451 . . . . 0.0 112.497 167.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.762 ' O ' HG12 ' A' ' 14' ' ' VAL . 10.1 t70 167.92 134.57 0.04 OUTLIER Pre-proline 0 N--CA 1.476 0.868 0 CA-C-O 116.431 -1.747 . . . . 0.0 110.56 -161.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -33.45 -35.18 0.07 OUTLIER 'Trans proline' 0 CA--C 1.513 -0.549 1 C-N-CA 126.528 4.819 . . . . 0.0 118.178 -178.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -145.01 47.65 1.32 Allowed 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 113.294 -3.363 . . . . 0.0 113.414 166.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.762 HG12 ' O ' ' A' ' 11' ' ' ASP . 7.7 p -65.84 -25.96 37.52 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 CA-C-N 114.061 -1.427 . . . . 0.0 108.902 154.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.5 -43.42 1.84 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 128.631 2.773 . . . . 0.0 110.908 -179.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.8 -37.22 76.31 Favored Glycine 0 CA--C 1.538 1.525 0 C-N-CA 124.699 1.142 . . . . 0.0 113.449 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mt -79.79 19.1 0.7 Allowed 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 127.726 2.41 . . . . 0.0 112.692 177.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.538 ' HB3' HD23 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -145.83 19.74 1.46 Allowed 'General case' 0 CA--C 1.513 -0.46 0 C-N-CA 114.992 -2.683 . . . . 0.0 114.113 -157.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -133.55 71.38 75.59 Favored Pre-proline 0 N--CA 1.438 -1.072 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.851 170.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_exo -46.36 110.06 0.25 Allowed 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 124.726 3.617 . . . . 0.0 112.478 173.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.23 60.68 6.38 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 124.154 0.982 . . . . 0.0 109.452 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 176.25 68.69 0.06 OUTLIER Glycine 0 CA--C 1.525 0.705 0 N-CA-C 109.804 -1.318 . . . . 0.0 109.804 -177.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.176 0 CA-C-O 116.996 -2.002 . . . . 0.0 109.901 177.405 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 . . . . . 0 CA--C 1.546 0.789 0 CA-C-O 118.736 -0.65 . . . . 0.0 109.248 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.4 m -66.6 -10.19 43.04 Favored 'General case' 0 C--N 1.348 0.524 0 CA-C-N 120.344 1.429 . . . . 0.0 112.753 -175.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.4 m -81.52 -35.14 30.71 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 119.438 1.017 . . . . 0.0 111.794 -175.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 89.7 m -65.71 -28.68 69.23 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 172.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -68.98 -61.04 1.96 Allowed 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 119.268 -0.396 . . . . 0.0 110.955 173.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -77.34 -17.39 58.3 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 118.011 -1.475 . . . . 0.0 113.269 -162.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -32.01 -50.63 0.22 Allowed 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 129.006 2.922 . . . . 0.0 107.377 171.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.85 35.74 1.23 Allowed 'General case' 0 N--CA 1.435 -1.179 1 C-N-CA 132.124 4.169 . . . . 0.0 114.281 -165.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.91 -25.85 67.34 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 114.847 -2.741 . . . . 0.0 109.35 -165.072 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.4 mt -140.57 0.77 1.68 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 127.896 2.478 . . . . 0.0 112.38 158.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 166.68 148.09 0.06 OUTLIER Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 126.455 1.902 . . . . 0.0 108.703 -168.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -61.26 8.98 0.08 OUTLIER 'Trans proline' 0 N--CA 1.485 0.996 1 C-N-CA 125.896 4.397 . . . . 0.0 119.45 -163.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.0 mtp180 -151.23 41.47 0.73 Allowed 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 123.392 2.814 . . . . 0.0 109.331 151.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.1 t -67.06 -30.63 50.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 C-N-CA 125.01 1.324 . . . . 0.0 108.39 166.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -29.94 -49.09 0.1 Allowed 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 128.051 2.541 . . . . 0.0 111.056 168.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.63 -34.95 88.29 Favored Glycine 0 CA--C 1.53 1.031 0 C-N-CA 123.888 0.756 . . . . 0.0 112.323 -174.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.484 HD12 ' N ' ' A' ' 17' ' ' LEU . 8.9 mp -86.67 16.54 4.63 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 125.021 1.328 . . . . 0.0 110.859 -175.23 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -145.38 16.9 1.51 Allowed 'General case' 0 CA--C 1.517 -0.318 0 C-N-CA 116.361 -2.136 . . . . 0.0 113.635 -159.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -132.95 71.8 77.57 Favored Pre-proline 0 N--CA 1.44 -0.946 0 C-N-CA 123.061 0.544 . . . . 0.0 109.828 169.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -54.68 135.25 66.41 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.498 2.799 . . . . 0.0 111.974 175.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.36 63.02 7.85 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.709 0.803 . . . . 0.0 109.418 177.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.91 -58.77 7.76 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 179.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.263 0 CA-C-O 117.121 -1.933 . . . . 0.0 109.865 174.49 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 . . . . . 0 CA--C 1.548 0.882 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.5 m -64.99 -11.26 36.81 Favored 'General case' 0 C--N 1.347 0.485 0 CA-C-N 119.964 1.257 . . . . 0.0 113.737 -169.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.2 t -81.67 -33.19 31.42 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 119.483 1.038 . . . . 0.0 111.133 -177.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 77.4 m -66.7 -27.01 67.3 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 169.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -68.74 -59.09 3.34 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 118.784 -0.627 . . . . 0.0 110.47 173.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.645 ' O ' HD23 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -78.75 -11.53 59.99 Favored 'General case' 0 C--O 1.225 -0.228 0 C-N-CA 116.008 -2.277 . . . . 0.0 113.074 -162.77 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.14 -44.62 1.85 Allowed 'General case' 0 C--O 1.216 -0.693 0 C-N-CA 127.935 2.494 . . . . 0.0 107.13 169.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.32 31.25 2.0 Allowed 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 129.175 2.99 . . . . 0.0 114.485 -164.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.645 HD23 ' O ' ' A' ' 6' ' ' HIS . 0.2 OUTLIER -66.62 -44.28 82.46 Favored 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 114.977 -2.689 . . . . 0.0 108.694 -163.465 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.515 ' H ' HG11 ' A' ' 14' ' ' VAL . 85.7 mt -134.33 -5.39 2.63 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 111.454 -2.612 . . . . 0.0 113.077 166.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.702 ' O ' HG12 ' A' ' 14' ' ' VAL . 0.4 OUTLIER 168.52 137.6 0.05 OUTLIER Pre-proline 0 N--CA 1.472 0.665 0 CA-C-O 116.746 -1.597 . . . . 0.0 110.347 -163.661 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -31.9 -39.65 0.08 OUTLIER 'Trans proline' 0 C--N 1.349 0.594 1 C-N-CA 127.331 5.354 . . . . 0.0 118.544 -175.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.06 50.71 1.41 Allowed 'General case' 0 C--N 1.338 0.083 0 C-N-CA 113.176 -3.41 . . . . 0.0 113.101 166.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.702 HG12 ' O ' ' A' ' 11' ' ' ASP . 13.5 p -69.9 -25.38 27.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-N 113.257 -1.792 . . . . 0.0 108.909 153.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.455 ' HB3' ' O ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -38.39 -44.66 0.93 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 129.385 3.074 . . . . 0.0 111.746 -178.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.7 -40.43 79.58 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 124.763 1.173 . . . . 0.0 112.997 178.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 mt -74.24 20.92 0.1 Allowed 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 127.826 2.451 . . . . 0.0 112.534 171.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -146.87 25.26 1.16 Allowed 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 116.723 -1.991 . . . . 0.0 112.676 -163.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -131.33 72.62 80.87 Favored Pre-proline 0 N--CA 1.441 -0.905 0 O-C-N 123.747 0.654 . . . . 0.0 110.224 168.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -52.08 121.66 9.22 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 123.735 2.957 . . . . 0.0 111.698 172.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.34 62.43 7.48 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.026 0.93 . . . . 0.0 109.209 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -81.25 59.49 4.78 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 125.265 1.412 . . . . 0.0 109.957 179.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.149 0 CA-C-O 116.988 -2.006 . . . . 0.0 109.428 -174.214 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 N--CA 1.475 0.779 0 CA-C-O 118.689 -0.672 . . . . 0.0 110.361 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.2 p -52.83 -24.77 9.67 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 119.079 0.854 . . . . 0.0 112.248 168.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.421 ' HA ' ' CE1' ' A' ' 6' ' ' HIS . 65.5 m -78.85 -46.49 18.51 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 124.423 1.089 . . . . 0.0 111.995 -177.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 55.8 m -59.73 -31.98 70.12 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 173.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -67.45 -53.28 30.36 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 118.995 -0.526 . . . . 0.0 111.868 176.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.421 ' CE1' ' HA ' ' A' ' 3' ' ' THR . 1.5 p-80 -73.93 -17.86 60.97 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 117.561 -1.656 . . . . 0.0 112.653 -165.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -51.38 -11.49 0.12 Allowed 'General case' 0 CA--C 1.552 1.047 1 C-N-CA 132.076 4.15 . . . . 0.0 111.234 170.268 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -115.84 15.96 16.3 Favored 'General case' 0 CA--C 1.499 -1.01 0 N-CA-C 118.998 2.962 . . . . 0.0 118.998 -175.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.468 HD23 ' HB3' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -67.23 -52.2 43.91 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 116.551 -2.06 . . . . 0.0 109.031 -162.471 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.677 ' H ' HG11 ' A' ' 14' ' ' VAL . 95.5 mt -138.75 3.53 2.27 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 129.081 2.952 . . . . 0.0 111.561 165.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 21.0 t70 173.68 159.82 0.31 Allowed Pre-proline 0 N--CA 1.475 0.802 0 C-N-CA 123.891 0.877 . . . . 0.0 110.718 -162.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -55.25 -33.56 85.14 Favored 'Trans proline' 0 CA--C 1.498 -1.314 0 C-N-CA 124.199 3.266 . . . . 0.0 118.194 170.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.84 53.51 0.71 Allowed 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 112.041 -3.863 . . . . 0.0 112.385 166.279 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.677 HG11 ' H ' ' A' ' 10' ' ' LEU . 7.6 p -63.05 -28.6 45.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 110.728 -2.942 . . . . 0.0 108.323 149.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.1 ppt_? -40.56 -40.51 1.27 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 128.979 2.912 . . . . 0.0 112.417 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.43 -30.56 61.91 Favored Glycine 0 CA--C 1.541 1.714 0 CA-C-N 119.744 1.157 . . . . 0.0 113.254 179.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 mt -88.34 17.83 4.93 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 127.71 2.404 . . . . 0.0 112.588 177.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.468 ' HB3' HD23 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -145.72 22.42 1.44 Allowed 'General case' 0 CA--C 1.513 -0.479 0 C-N-CA 114.584 -2.847 . . . . 0.0 114.451 -155.14 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -135.19 72.5 66.43 Favored Pre-proline 0 N--CA 1.439 -0.997 0 O-C-N 123.619 0.574 . . . . 0.0 109.873 168.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -51.52 114.49 1.6 Allowed 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 123.819 3.013 . . . . 0.0 112.04 175.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.27 60.23 6.11 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.037 0.935 . . . . 0.0 109.598 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 168.92 64.54 0.03 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 109.881 -1.288 . . . . 0.0 109.881 -178.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.17 0 CA-C-O 116.843 -2.087 . . . . 0.0 110.02 -179.76 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 . . . . . 0 N--CA 1.474 0.755 0 CA-C-O 118.228 -0.891 . . . . 0.0 109.862 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.9 t -51.22 -34.87 34.07 Favored 'General case' 0 C--N 1.349 0.58 0 CA-C-N 119.817 1.19 . . . . 0.0 111.781 173.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.3 m -60.48 -24.01 64.94 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.098 1.359 . . . . 0.0 113.193 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 54.3 m -62.25 -27.28 68.89 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 118.826 0.739 . . . . 0.0 109.691 174.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -67.38 -58.31 5.02 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-O 119.131 -0.461 . . . . 0.0 110.842 175.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.648 ' O ' HD23 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -79.45 -11.94 59.9 Favored 'General case' 0 C--O 1.223 -0.322 0 C-N-CA 116.324 -2.151 . . . . 0.0 113.099 -162.417 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.62 -39.48 2.37 Favored 'General case' 0 C--O 1.212 -0.91 0 C-N-CA 128.066 2.546 . . . . 0.0 108.297 169.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.44 31.35 3.17 Favored 'General case' 0 N--CA 1.441 -0.909 0 C-N-CA 129.087 2.955 . . . . 0.0 114.665 -166.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.648 HD23 ' O ' ' A' ' 6' ' ' HIS . 0.2 OUTLIER -65.51 -42.85 91.6 Favored 'General case' 0 CA--C 1.52 -0.191 0 C-N-CA 114.802 -2.759 . . . . 0.0 109.133 -162.456 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.416 ' H ' HG11 ' A' ' 14' ' ' VAL . 46.5 mt -141.38 2.65 1.67 Allowed 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 128.3 2.64 . . . . 0.0 112.173 165.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.574 ' O ' HG12 ' A' ' 14' ' ' VAL . 17.3 t70 171.96 136.22 0.09 OUTLIER Pre-proline 0 N--CA 1.475 0.811 0 CA-C-O 116.134 -1.889 . . . . 0.0 110.717 -163.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -33.65 -34.25 0.07 OUTLIER 'Trans proline' 0 C--N 1.351 0.697 1 C-N-CA 126.85 5.033 . . . . 0.0 117.725 178.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -147.41 48.75 1.1 Allowed 'General case' 0 C--N 1.339 0.14 0 C-N-CA 112.414 -3.714 . . . . 0.0 113.589 162.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.574 HG12 ' O ' ' A' ' 11' ' ' ASP . 10.9 p -67.17 -27.58 39.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-N 115.103 -0.953 . . . . 0.0 108.617 155.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.472 ' HB3' ' O ' ' A' ' 6' ' ' HIS . 0.1 OUTLIER -32.04 -47.03 0.13 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 129.447 3.099 . . . . 0.0 112.061 176.595 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.75 -40.14 92.39 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 124.856 1.217 . . . . 0.0 112.847 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 mt -73.2 20.98 0.08 Allowed 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 127.743 2.417 . . . . 0.0 112.742 170.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -145.62 25.36 1.33 Allowed 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 116.848 -1.941 . . . . 0.0 112.375 -164.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -133.74 71.96 74.02 Favored Pre-proline 0 N--CA 1.441 -0.896 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.158 168.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -50.48 159.32 2.16 Favored 'Trans proline' 0 CA--C 1.533 0.464 0 C-N-CA 124.461 3.441 . . . . 0.0 113.152 169.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.94 60.84 6.06 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.056 0.942 . . . . 0.0 109.818 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 170.72 -59.53 0.18 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.245 -1.142 . . . . 0.0 110.245 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.195 0 CA-C-O 117.333 -1.815 . . . . 0.0 109.035 178.684 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 . . . . . 0 N--CA 1.474 0.732 0 CA-C-O 118.812 -0.613 . . . . 0.0 109.853 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.5 t -57.0 -39.62 75.03 Favored 'General case' 0 C--N 1.346 0.455 0 CA-C-N 119.183 0.902 . . . . 0.0 112.186 -177.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.7 t -74.86 -28.1 60.53 Favored 'General case' 0 C--N 1.333 -0.14 0 O-C-N 121.781 -0.574 . . . . 0.0 111.979 -174.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.1 m -66.98 -22.5 65.92 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 174.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -72.44 -54.57 8.96 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 118.306 0.503 . . . . 0.0 110.92 173.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.642 ' O ' HD23 ' A' ' 9' ' ' LEU . 1.1 p-80 -76.55 -10.2 59.22 Favored 'General case' 0 C--O 1.224 -0.284 0 C-N-CA 116.683 -2.007 . . . . 0.0 113.682 -162.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -36.29 -47.41 0.59 Allowed 'General case' 0 N--CA 1.438 -1.029 1 C-N-CA 132.03 4.132 . . . . 0.0 107.833 163.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -101.58 39.54 1.43 Allowed 'General case' 0 CA--C 1.503 -0.839 0 C-N-CA 130.875 3.67 . . . . 0.0 115.712 -166.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.642 HD23 ' O ' ' A' ' 6' ' ' HIS . 0.2 OUTLIER -65.0 -31.0 72.03 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 114.147 -3.021 . . . . 0.0 110.063 -164.735 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.7 mt -138.44 1.14 2.14 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.98 2.112 . . . . 0.0 112.222 161.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 168.03 151.58 0.11 Allowed Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 125.906 1.682 . . . . 0.0 108.393 -169.027 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -52.28 -14.14 2.62 Favored 'Trans proline' 0 CA--C 1.505 -0.973 1 C-N-CA 126.457 4.771 . . . . 0.0 120.566 -169.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.527 ' HA ' ' HG2' ' A' ' 15' ' ' ARG . 8.9 mtm105 -144.68 47.54 1.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 112.546 -3.662 . . . . 0.0 111.018 156.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.5 t -67.35 -22.54 29.03 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.827 0 CA-C-N 112.161 -2.291 . . . . 0.0 107.599 156.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.527 ' HG2' ' HA ' ' A' ' 13' ' ' ARG . 4.9 ptm180 -44.18 -43.81 7.35 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.71 1.604 . . . . 0.0 110.628 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.65 -36.35 39.76 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 125.109 1.337 . . . . 0.0 113.433 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.465 HD12 ' N ' ' A' ' 17' ' ' LEU . 7.8 mp -86.72 12.3 11.07 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 125.578 1.551 . . . . 0.0 110.83 -172.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.404 ' CD1' HD12 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -141.38 23.16 2.17 Favored 'General case' 0 CA--C 1.511 -0.529 0 C-N-CA 116.353 -2.139 . . . . 0.0 113.203 -155.05 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -134.01 73.52 70.41 Favored Pre-proline 0 N--CA 1.438 -1.042 0 O-C-N 123.499 0.5 . . . . 0.0 110.228 169.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -50.59 132.85 36.98 Favored 'Trans proline' 0 N--CA 1.456 -0.717 0 C-N-CA 123.721 2.947 . . . . 0.0 111.503 170.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.33 62.21 7.05 Favored 'General case' 0 C--N 1.339 0.118 0 C-N-CA 124.015 0.926 . . . . 0.0 108.849 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.94 50.39 66.14 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 108.525 -1.83 . . . . 0.0 108.525 -169.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.213 0 CA-C-O 117.172 -1.905 . . . . 0.0 109.418 -169.677 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 . . . . . 0 CA--C 1.55 0.95 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.1 t -66.51 -4.62 8.83 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-N 120.086 1.312 . . . . 0.0 112.924 -172.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.9 t -85.49 -28.17 25.17 Favored 'General case' 0 N--CA 1.452 -0.339 0 O-C-N 121.305 -0.872 . . . . 0.0 111.836 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.2 m -63.46 -33.88 76.54 Favored 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 168.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -65.35 -60.94 2.44 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 118.84 -0.6 . . . . 0.0 110.871 178.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -76.21 -21.67 56.17 Favored 'General case' 0 CA--C 1.514 -0.408 0 C-N-CA 116.727 -1.989 . . . . 0.0 113.195 -163.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -32.59 -43.03 0.08 Allowed 'General case' 0 C--O 1.211 -0.938 0 C-N-CA 129.255 3.022 . . . . 0.0 109.4 172.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -98.96 28.62 4.26 Favored 'General case' 0 N--CA 1.434 -1.258 0 C-N-CA 130.322 3.449 . . . . 0.0 114.83 -165.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.02 -46.81 82.8 Favored 'General case' 0 CA--C 1.521 -0.136 0 C-N-CA 115.679 -2.408 . . . . 0.0 108.508 -160.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.437 ' H ' HG11 ' A' ' 14' ' ' VAL . 2.1 mp -133.75 -4.46 2.87 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 129.455 3.102 . . . . 0.0 112.811 163.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.57 ' O ' HG12 ' A' ' 14' ' ' VAL . 16.7 t70 178.32 135.45 0.23 Allowed Pre-proline 0 N--CA 1.471 0.618 0 CA-C-O 116.304 -1.808 . . . . 0.0 110.95 -162.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -36.15 -32.52 0.11 Allowed 'Trans proline' 0 C--N 1.348 0.517 1 C-N-CA 126.149 4.566 . . . . 0.0 117.473 -178.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -147.04 49.44 1.12 Allowed 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 112.671 -3.612 . . . . 0.0 113.871 161.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.57 HG12 ' O ' ' A' ' 11' ' ' ASP . 7.1 p -65.34 -31.78 55.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 155.393 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -32.89 -48.67 0.21 Allowed 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 127.547 2.339 . . . . 0.0 110.556 173.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.74 -18.82 77.66 Favored Glycine 0 CA--C 1.529 0.912 0 C-N-CA 124.856 1.217 . . . . 0.0 113.496 -169.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.662 ' N ' HD23 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -89.77 3.85 51.53 Favored 'General case' 0 N--CA 1.434 -1.259 0 CA-C-N 119.284 1.542 . . . . 0.0 109.267 -178.009 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -147.8 36.76 0.87 Allowed 'General case' 0 CA--C 1.507 -0.694 0 N-CA-C 116.477 2.029 . . . . 0.0 116.477 -144.187 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -128.27 72.77 79.98 Favored Pre-proline 0 N--CA 1.442 -0.845 0 C-N-CA 120.026 -0.67 . . . . 0.0 110.241 163.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -48.85 127.99 17.95 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 123.872 3.048 . . . . 0.0 112.117 171.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.29 62.95 7.81 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 124.402 1.081 . . . . 0.0 109.294 -178.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -81.2 59.79 4.75 Favored Glycine 0 CA--C 1.527 0.812 0 C-N-CA 125.281 1.419 . . . . 0.0 109.986 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.292 0 CA-C-O 117.125 -1.93 . . . . 0.0 110.056 -176.006 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 12.3 p30 . . . . . 0 CA--C 1.546 0.809 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.9 p -69.33 -3.33 13.64 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.347 1.059 . . . . 0.0 113.822 -171.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.2 t -86.38 -24.46 25.77 Favored 'General case' 0 N--CA 1.456 -0.125 0 CA-C-N 119.269 0.941 . . . . 0.0 111.521 177.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 51.6 m -64.59 -26.8 68.56 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 169.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -68.37 -58.95 3.57 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 119.071 -0.49 . . . . 0.0 110.951 176.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -74.54 -16.07 60.84 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 116.929 -1.908 . . . . 0.0 112.988 -164.088 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -37.02 -37.12 0.14 Allowed 'General case' 0 N--CA 1.435 -1.198 0 C-N-CA 129.897 3.279 . . . . 0.0 109.185 165.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -100.62 30.68 3.83 Favored 'General case' 0 CA--C 1.505 -0.773 0 C-N-CA 126.851 2.061 . . . . 0.0 114.391 -170.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.58 -45.31 65.6 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 115.544 -2.463 . . . . 0.0 109.449 -160.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.556 ' H ' HG11 ' A' ' 14' ' ' VAL . 98.6 mt -139.92 3.47 2.02 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 128.373 2.669 . . . . 0.0 112.448 167.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.632 ' O ' HG12 ' A' ' 14' ' ' VAL . 19.5 t70 166.71 139.65 0.04 OUTLIER Pre-proline 0 N--CA 1.478 0.952 0 CA-C-O 116.628 -1.653 . . . . 0.0 110.249 -162.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_exo -31.42 -44.0 0.14 Allowed 'Trans proline' 0 C--N 1.349 0.585 1 C-N-CA 125.671 4.248 . . . . 0.0 117.13 173.478 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.92 54.03 1.22 Allowed 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 113.107 -3.437 . . . . 0.0 113.071 166.242 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.632 HG12 ' O ' ' A' ' 11' ' ' ASP . 7.7 p -65.89 -32.89 60.17 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 CA-C-N 113.795 -1.548 . . . . 0.0 107.982 152.292 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -32.39 -52.48 0.29 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 130.281 3.432 . . . . 0.0 110.758 -179.325 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.89 -38.25 83.14 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 125.029 1.3 . . . . 0.0 113.397 -176.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 mt -80.65 17.1 1.19 Allowed 'General case' 0 CA--C 1.519 -0.221 0 C-N-CA 126.57 1.948 . . . . 0.0 112.237 178.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -143.13 25.02 1.77 Allowed 'General case' 0 CA--C 1.518 -0.255 0 C-N-CA 116.182 -2.207 . . . . 0.0 112.382 -159.428 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -133.03 75.43 71.97 Favored Pre-proline 0 N--CA 1.445 -0.706 0 C-N-CA 123.706 0.802 . . . . 0.0 109.784 172.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -49.18 144.48 16.7 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 124.413 3.409 . . . . 0.0 112.657 171.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.1 62.25 7.38 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.789 0.836 . . . . 0.0 109.572 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.03 -73.68 0.13 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 108.848 -1.701 . . . . 0.0 108.848 178.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.245 0 CA-C-O 117.572 -1.682 . . . . 0.0 110.194 176.506 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 . . . . . 0 N--CA 1.474 0.747 0 CA-C-O 118.724 -0.655 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.3 m -55.58 -21.11 15.77 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 119.271 0.941 . . . . 0.0 112.302 170.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 54.4 m -72.18 -34.47 68.45 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 123.3 0.64 . . . . 0.0 111.513 177.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 51.0 m -66.28 -25.75 67.01 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 173.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -74.13 -57.43 3.97 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 118.771 -0.633 . . . . 0.0 110.819 173.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.616 ' O ' HD23 ' A' ' 9' ' ' LEU . 1.3 p-80 -78.54 -8.47 58.61 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 116.601 -2.04 . . . . 0.0 113.307 -163.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.02 -50.27 1.78 Allowed 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 129.951 3.3 . . . . 0.0 106.402 166.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -97.05 38.57 1.23 Allowed 'General case' 0 N--CA 1.437 -1.096 0 C-N-CA 131.501 3.921 . . . . 0.0 115.281 -163.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.616 HD23 ' O ' ' A' ' 6' ' ' HIS . 0.2 OUTLIER -65.48 -28.12 68.98 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 113.968 -3.093 . . . . 0.0 109.166 -167.031 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.2 mt -139.04 0.02 1.91 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 127.253 2.221 . . . . 0.0 112.534 161.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 168.19 145.36 0.07 OUTLIER Pre-proline 0 CA--C 1.548 0.893 0 CA-C-O 116.258 -1.83 . . . . 0.0 108.748 -169.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -48.67 -4.85 0.04 OUTLIER 'Trans proline' 0 N--CA 1.486 1.066 1 C-N-CA 128.102 5.868 . . . . 0.0 120.871 -170.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.3 mtm105 -147.06 41.6 1.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 114.204 -2.998 . . . . 0.0 110.947 156.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 70.7 t -70.74 -25.3 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 CA-C-N 113.544 -1.662 . . . . 0.0 108.543 163.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.448 ' HB3' ' O ' ' A' ' 6' ' ' HIS . 0.2 OUTLIER -31.4 -45.37 0.08 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 127.279 2.232 . . . . 0.0 111.456 169.684 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.27 -39.16 81.29 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 125.047 1.308 . . . . 0.0 112.827 -178.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.421 HD12 ' N ' ' A' ' 17' ' ' LEU . 7.7 mp -81.9 12.65 3.87 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 126.122 1.769 . . . . 0.0 111.101 -175.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -142.67 17.68 2.0 Favored 'General case' 0 CA--C 1.511 -0.53 0 C-N-CA 116.112 -2.235 . . . . 0.0 113.777 -155.011 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -131.04 71.11 82.52 Favored Pre-proline 0 N--CA 1.439 -1.016 0 O-C-N 123.632 0.583 . . . . 0.0 110.524 169.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -48.63 142.89 17.41 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 124.33 3.354 . . . . 0.0 112.142 167.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.24 61.14 6.37 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.699 0.8 . . . . 0.0 109.594 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.02 -59.96 4.07 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 116.911 -2.049 . . . . 0.0 110.101 -179.631 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 . . . . . 0 N--CA 1.473 0.702 0 CA-C-O 118.877 -0.583 . . . . 0.0 110.05 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.5 t -56.39 -43.85 79.65 Favored 'General case' 0 C--N 1.346 0.45 0 CA-C-N 119.043 0.838 . . . . 0.0 111.941 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.7 t -67.22 -13.38 61.91 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 125.263 1.425 . . . . 0.0 113.66 -169.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 46.0 m -55.83 -26.67 47.73 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 169.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -63.23 -64.77 0.81 Allowed 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 123.614 0.766 . . . . 0.0 111.614 177.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -79.54 -14.45 58.85 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 117.988 -1.485 . . . . 0.0 112.83 -163.262 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.38 -22.25 0.01 OUTLIER 'General case' 0 C--O 1.214 -0.777 0 C-N-CA 130.53 3.532 . . . . 0.0 112.877 169.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -110.6 24.56 12.81 Favored 'General case' 0 CA--C 1.504 -0.823 0 C-N-CA 127.285 2.234 . . . . 0.0 115.531 -175.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 mt -66.81 -49.99 64.05 Favored 'General case' 0 CA--C 1.513 -0.465 0 C-N-CA 115.403 -2.519 . . . . 0.0 109.066 -159.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.419 ' H ' HG11 ' A' ' 14' ' ' VAL . 2.3 mp -131.47 0.13 4.02 Favored 'General case' 0 C--N 1.315 -0.898 0 C-N-CA 127.671 2.388 . . . . 0.0 111.74 166.363 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.2 t70 171.86 158.61 0.24 Allowed Pre-proline 0 N--CA 1.479 1.015 0 C-N-CA 124.999 1.32 . . . . 0.0 110.128 -164.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER -29.84 -63.0 0.1 OUTLIER 'Trans proline' 0 C--N 1.351 0.692 1 C-N-CA 126.525 4.817 . . . . 0.0 117.182 162.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.43 ' HA ' ' HG2' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -145.43 46.21 1.3 Allowed 'General case' 0 CA--C 1.52 -0.212 0 C-N-CA 114.987 -2.685 . . . . 0.0 112.749 176.485 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.453 HG22 ' CD1' ' A' ' 18' ' ' TYR . 13.4 p -60.32 -32.66 51.43 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.371 0 CA-C-N 111.534 -2.575 . . . . 0.0 106.938 145.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.43 ' HG2' ' HA ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -45.42 -38.64 6.2 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 127.204 2.202 . . . . 0.0 110.039 -176.87 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.29 -36.8 91.83 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 124.226 0.917 . . . . 0.0 112.471 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.489 HD12 ' N ' ' A' ' 17' ' ' LEU . 6.9 mp -84.95 8.89 16.04 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 125.148 1.379 . . . . 0.0 110.341 -175.139 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.453 ' CD1' HG22 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -130.06 24.67 5.27 Favored 'General case' 0 CA--C 1.517 -0.321 0 C-N-CA 117.73 -1.588 . . . . 0.0 111.833 -154.002 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -131.7 70.87 81.18 Favored Pre-proline 0 N--CA 1.438 -1.031 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.83 169.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -47.41 132.4 19.64 Favored 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 124.349 3.366 . . . . 0.0 112.122 170.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.8 61.29 6.26 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.832 0.853 . . . . 0.0 109.218 178.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 176.05 64.96 0.06 OUTLIER Glycine 0 CA--C 1.525 0.706 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 -177.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.196 0 CA-C-O 117.635 -1.647 . . . . 0.0 110.135 -179.193 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 . . . . . 0 CA--C 1.547 0.83 0 CA-C-O 118.648 -0.691 . . . . 0.0 109.192 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.8 m -64.4 -11.93 37.88 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-N 120.365 1.439 . . . . 0.0 112.894 -174.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 59.1 m -81.51 -40.21 23.55 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 119.174 0.897 . . . . 0.0 111.898 -173.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 93.4 m -63.66 -30.95 71.99 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 172.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -66.19 -60.0 3.22 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-O 119.109 -0.472 . . . . 0.0 111.058 173.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -76.85 -15.1 59.81 Favored 'General case' 0 CA--C 1.515 -0.383 0 C-N-CA 117.302 -1.759 . . . . 0.0 113.37 -162.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -36.44 -49.17 0.71 Allowed 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 128.414 2.686 . . . . 0.0 107.435 172.391 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.89 34.6 1.51 Allowed 'General case' 0 N--CA 1.437 -1.119 1 C-N-CA 131.891 4.076 . . . . 0.0 114.482 -165.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.58 -31.02 71.84 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 114.79 -2.764 . . . . 0.0 109.638 -163.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 97.6 mt -136.15 0.68 2.62 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 127.166 2.187 . . . . 0.0 112.448 161.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 166.88 146.58 0.05 OUTLIER Pre-proline 0 CA--C 1.544 0.748 0 CA-C-O 116.207 -1.854 . . . . 0.0 108.596 -167.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -63.92 14.1 0.08 OUTLIER 'Trans proline' 0 N--CA 1.483 0.854 1 C-N-CA 125.574 4.182 . . . . 0.0 118.837 -165.415 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 46.2 mtp180 -153.82 43.94 0.57 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 122.423 2.374 . . . . 0.0 109.032 149.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.9 t -67.13 -32.05 55.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 166.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -27.54 -60.76 0.1 Allowed 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 129.522 3.129 . . . . 0.0 110.877 171.156 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.45 -25.17 68.37 Favored Glycine 0 CA--C 1.533 1.213 0 CA-C-N 119.913 1.233 . . . . 0.0 113.561 -172.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 mt -85.73 13.96 6.49 Favored 'General case' 0 CA--C 1.514 -0.43 0 C-N-CA 125.932 1.693 . . . . 0.0 111.6 176.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -160.08 36.25 0.18 Allowed 'General case' 0 CA--C 1.508 -0.651 0 C-N-CA 115.462 -2.495 . . . . 0.0 115.631 -158.232 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -129.74 72.23 81.98 Favored Pre-proline 0 N--CA 1.441 -0.88 0 O-C-N 123.78 0.675 . . . . 0.0 110.323 162.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -50.71 130.74 31.4 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 123.827 3.018 . . . . 0.0 112.187 171.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.82 62.63 7.54 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.877 0.871 . . . . 0.0 109.476 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.14 -59.38 7.48 Favored Glycine 0 CA--C 1.528 0.891 0 N-CA-C 109.894 -1.282 . . . . 0.0 109.894 -179.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.106 0 CA-C-O 117.382 -1.788 . . . . 0.0 110.168 -177.873 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 17.9 m120 . . . . . 0 N--CA 1.479 1.012 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.0 m -56.3 -16.63 5.83 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 119.085 -0.483 . . . . 0.0 112.06 169.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.401 ' HA ' ' CE1' ' A' ' 6' ' ' HIS . 14.9 t -90.97 -38.3 12.94 Favored 'General case' 0 C--N 1.342 0.278 0 C-N-CA 123.802 0.841 . . . . 0.0 111.541 176.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.0 m -58.89 -31.92 69.03 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 172.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -59.12 -54.99 40.74 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 123.987 0.915 . . . . 0.0 111.917 174.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.401 ' CE1' ' HA ' ' A' ' 3' ' ' THR . 1.6 p-80 -74.96 -23.02 58.23 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 117.988 -1.485 . . . . 0.0 112.8 -164.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.415 ' HG2' ' HA ' ' A' ' 12' ' ' PRO . 4.9 tt0 -50.16 -11.35 0.07 Allowed 'General case' 0 CA--C 1.549 0.94 1 C-N-CA 132.004 4.122 . . . . 0.0 111.289 169.57 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -113.17 18.26 18.07 Favored 'General case' 0 CA--C 1.503 -0.836 0 N-CA-C 117.847 2.536 . . . . 0.0 117.847 -178.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.502 HD23 ' HB3' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -66.96 -50.49 62.13 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 116.694 -2.002 . . . . 0.0 109.7 -162.403 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.646 ' H ' HG11 ' A' ' 14' ' ' VAL . 35.4 mt -142.36 4.37 1.58 Allowed 'General case' 0 C--N 1.313 -0.999 0 C-N-CA 129.025 2.93 . . . . 0.0 111.517 166.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.0 t70 175.33 159.07 0.39 Allowed Pre-proline 0 N--CA 1.478 0.967 0 C-N-CA 123.079 0.552 . . . . 0.0 110.777 -163.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.415 ' HA ' ' HG2' ' A' ' 7' ' ' GLN . 34.3 Cg_exo -50.11 -38.62 50.56 Favored 'Trans proline' 0 CA--C 1.503 -1.047 0 C-N-CA 124.49 3.46 . . . . 0.0 117.747 169.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.54 48.43 0.81 Allowed 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 113.054 -3.458 . . . . 0.0 112.706 168.415 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.646 HG11 ' H ' ' A' ' 10' ' ' LEU . 7.3 p -59.36 -29.19 41.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-N 112.224 -2.262 . . . . 0.0 108.177 150.334 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -39.73 -43.52 1.41 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 128.708 2.803 . . . . 0.0 111.321 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.52 -36.79 64.95 Favored Glycine 0 CA--C 1.539 1.543 0 CA-C-N 119.611 1.096 . . . . 0.0 113.536 179.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 mt -81.94 19.08 1.17 Allowed 'General case' 0 CA--C 1.516 -0.335 0 C-N-CA 127.64 2.376 . . . . 0.0 112.589 177.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.502 ' HB3' HD23 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -146.1 20.95 1.41 Allowed 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 114.947 -2.701 . . . . 0.0 114.144 -157.467 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -133.97 72.24 72.65 Favored Pre-proline 0 N--CA 1.439 -0.982 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.711 169.591 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -47.61 138.4 19.36 Favored 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 124.323 3.349 . . . . 0.0 112.675 171.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.41 61.64 6.74 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.136 0.974 . . . . 0.0 109.625 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 147.64 -66.27 0.4 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 109.212 -1.555 . . . . 0.0 109.212 -179.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.156 0 CA-C-O 117.059 -1.967 . . . . 0.0 109.662 179.715 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 N--CA 1.474 0.73 0 CA-C-O 118.679 -0.677 . . . . 0.0 110.493 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.2 m -53.82 -24.69 16.36 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 119.06 0.846 . . . . 0.0 112.333 169.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 26.0 m -81.37 -46.44 14.66 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 124.464 1.106 . . . . 0.0 111.6 -176.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 23.6 m -62.98 -28.95 70.44 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 173.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -66.57 -56.8 9.1 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 118.447 -0.787 . . . . 0.0 111.556 172.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -74.08 -19.45 60.6 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 115.395 -2.522 . . . . 0.0 112.559 -161.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.29 -36.22 0.32 Allowed 'General case' 0 C--O 1.212 -0.911 0 C-N-CA 129.679 3.192 . . . . 0.0 109.471 169.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -102.56 19.2 19.48 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 128.197 2.599 . . . . 0.0 116.83 -164.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 mp -67.94 -40.97 83.2 Favored 'General case' 0 CA--C 1.515 -0.383 0 C-N-CA 114.858 -2.737 . . . . 0.0 110.908 -159.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.563 ' H ' HG11 ' A' ' 14' ' ' VAL . 94.7 mt -137.08 0.45 2.36 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 126.801 2.041 . . . . 0.0 112.953 168.116 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.572 ' O ' HG12 ' A' ' 14' ' ' VAL . 18.7 t70 170.71 138.7 0.08 OUTLIER Pre-proline 0 N--CA 1.474 0.769 0 CA-C-O 116.372 -1.775 . . . . 0.0 111.159 -162.415 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -34.53 -35.19 0.09 OUTLIER 'Trans proline' 0 CA--C 1.512 -0.612 1 C-N-CA 126.245 4.63 . . . . 0.0 117.334 174.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.3 mtm105 -147.08 48.81 1.13 Allowed 'General case' 0 C--N 1.339 0.147 0 C-N-CA 112.464 -3.694 . . . . 0.0 113.779 162.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.572 HG12 ' O ' ' A' ' 11' ' ' ASP . 10.7 p -65.93 -25.68 36.69 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.313 0 CA-C-N 114.974 -1.012 . . . . 0.0 108.886 154.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -35.7 -47.39 0.48 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 128.759 2.824 . . . . 0.0 111.118 177.133 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.6 -41.87 93.84 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 125.262 1.411 . . . . 0.0 112.803 177.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mt -70.58 19.61 0.05 OUTLIER 'General case' 0 CA--C 1.519 -0.236 0 C-N-CA 127.358 2.263 . . . . 0.0 113.017 169.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -145.98 25.07 1.3 Allowed 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 117.262 -1.775 . . . . 0.0 112.195 -166.188 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -129.64 70.91 82.14 Favored Pre-proline 0 N--CA 1.442 -0.832 0 C-N-CA 123.203 0.601 . . . . 0.0 109.702 168.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -46.33 126.3 9.9 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 124.554 3.503 . . . . 0.0 112.215 171.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.59 61.64 6.82 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.272 1.029 . . . . 0.0 109.441 -179.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -176.03 73.05 0.08 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 -178.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.151 0 CA-C-O 116.86 -2.078 . . . . 0.0 110.117 179.233 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 . . . . . 0 N--CA 1.473 0.701 0 CA-C-O 118.598 -0.715 . . . . 0.0 109.995 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 t -56.44 -34.7 67.09 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.245 0.929 . . . . 0.0 112.316 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.2 t -88.59 -39.54 14.03 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 117.937 0.335 . . . . 0.0 111.611 -170.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.4 m -65.43 -30.47 71.27 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 171.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -62.3 -56.17 21.09 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 118.693 -0.67 . . . . 0.0 110.848 173.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.609 ' O ' HD23 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -76.15 -14.25 60.17 Favored 'General case' 0 C--O 1.222 -0.355 0 C-N-CA 115.86 -2.336 . . . . 0.0 112.518 -164.413 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -52.94 -15.22 0.71 Allowed 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 129.267 3.027 . . . . 0.0 110.457 169.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -112.1 32.11 5.76 Favored 'General case' 0 CA--C 1.508 -0.641 0 C-N-CA 127.401 2.28 . . . . 0.0 115.48 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.609 HD23 ' O ' ' A' ' 6' ' ' HIS . 0.3 OUTLIER -67.16 -46.39 74.15 Favored 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 114.295 -2.962 . . . . 0.0 108.845 -161.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.45 ' H ' HG11 ' A' ' 14' ' ' VAL . 28.9 mt -140.3 6.7 2.14 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 111.251 -2.704 . . . . 0.0 111.152 165.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.4 t70 172.5 155.37 0.24 Allowed Pre-proline 0 N--CA 1.478 0.941 0 C-N-CA 124.598 1.159 . . . . 0.0 110.174 -165.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -27.37 -63.77 0.07 OUTLIER 'Trans proline' 0 C--N 1.351 0.67 1 C-N-CA 126.373 4.715 . . . . 0.0 116.551 161.685 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.93 47.45 1.43 Allowed 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 113.981 -3.088 . . . . 0.0 113.704 175.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.45 HG11 ' H ' ' A' ' 10' ' ' LEU . 14.2 p -62.93 -25.77 39.3 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.386 0 CA-C-N 112.376 -2.193 . . . . 0.0 107.988 147.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.424 ' HB3' ' O ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -41.02 -36.45 0.68 Allowed 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 127.286 2.235 . . . . 0.0 110.769 176.189 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.63 -34.92 90.23 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 124.982 1.277 . . . . 0.0 113.249 178.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.45 HD12 ' N ' ' A' ' 17' ' ' LEU . 8.1 mp -78.64 9.03 4.42 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 126.54 1.936 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -133.52 21.03 3.94 Favored 'General case' 0 CA--C 1.511 -0.544 0 C-N-CA 118.133 -1.427 . . . . 0.0 113.104 -152.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -132.28 70.41 80.04 Favored Pre-proline 0 N--CA 1.442 -0.861 0 O-C-N 123.881 0.738 . . . . 0.0 111.393 168.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -56.81 158.32 17.19 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 123.833 3.022 . . . . 0.0 111.912 166.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.3 59.55 5.08 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.362 0.665 . . . . 0.0 109.508 173.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 165.71 -73.75 0.16 Allowed Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.045 -1.222 . . . . 0.0 110.045 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.182 0 CA-C-O 116.68 -2.178 . . . . 0.0 110.461 179.527 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 N--CA 1.474 0.739 0 CA-C-O 118.831 -0.604 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.7 m -54.74 -23.19 16.67 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 118.962 0.801 . . . . 0.0 112.278 169.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.454 ' HA ' ' CE1' ' A' ' 6' ' ' HIS . 20.8 m -82.97 -38.28 22.9 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 124.238 1.015 . . . . 0.0 111.797 -175.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.8 m -64.15 -29.36 70.48 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 169.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -71.41 -54.23 11.4 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 119.092 -0.48 . . . . 0.0 112.038 177.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.454 ' CE1' ' HA ' ' A' ' 3' ' ' THR . 1.6 p-80 -74.14 -21.1 60.01 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 117.701 -1.6 . . . . 0.0 112.466 -163.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -49.33 -13.78 0.08 Allowed 'General case' 0 CA--C 1.553 1.088 1 C-N-CA 132.027 4.131 . . . . 0.0 110.959 172.427 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -110.82 14.34 22.18 Favored 'General case' 0 CA--C 1.5 -0.956 0 N-CA-C 117.724 2.49 . . . . 0.0 117.724 -174.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.478 HD23 ' HB3' ' A' ' 18' ' ' TYR . 0.1 OUTLIER -67.86 -48.63 65.61 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 116.849 -1.94 . . . . 0.0 108.833 -162.529 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.776 ' H ' HG11 ' A' ' 14' ' ' VAL . 44.2 mt -141.92 4.18 1.66 Allowed 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 128.951 2.9 . . . . 0.0 111.28 162.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.61 ' O ' HG12 ' A' ' 14' ' ' VAL . 0.6 OUTLIER 170.04 155.5 0.19 Allowed Pre-proline 0 CA--C 1.546 0.817 0 C-N-CA 123.575 0.75 . . . . 0.0 111.29 -162.896 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_exo -51.16 -32.26 39.38 Favored 'Trans proline' 0 CA--C 1.499 -1.273 0 C-N-CA 125.105 3.87 . . . . 0.0 117.955 175.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.71 53.51 0.72 Allowed 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 112.576 -3.65 . . . . 0.0 111.344 165.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.776 HG11 ' H ' ' A' ' 10' ' ' LEU . 15.0 p -64.05 -25.19 37.53 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 CA-C-N 110.529 -3.032 . . . . 0.0 108.531 149.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 ppt_? -47.46 -41.3 20.25 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 128.447 2.699 . . . . 0.0 111.838 -173.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.99 -33.8 51.19 Favored Glycine 0 CA--C 1.538 1.523 0 C-N-CA 124.259 0.933 . . . . 0.0 113.149 177.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 mt -84.73 21.59 1.51 Allowed 'General case' 0 CA--C 1.518 -0.282 0 C-N-CA 127.592 2.357 . . . . 0.0 112.511 177.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.478 ' HB3' HD23 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -150.96 22.27 0.77 Allowed 'General case' 0 CA--C 1.511 -0.534 0 C-N-CA 115.528 -2.469 . . . . 0.0 114.808 -160.338 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -133.02 71.83 77.34 Favored Pre-proline 0 N--CA 1.438 -1.069 0 O-C-N 123.44 0.463 . . . . 0.0 109.854 167.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -49.99 128.24 21.54 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 124.138 3.225 . . . . 0.0 112.259 174.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.78 62.23 7.27 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.076 0.95 . . . . 0.0 109.602 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.35 -55.83 16.5 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 108.964 -1.654 . . . . 0.0 108.964 175.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.301 0 CA-C-O 117.169 -1.906 . . . . 0.0 109.65 170.976 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 . . . . . 0 N--CA 1.474 0.745 0 CA-C-O 118.323 -0.846 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.0 m -57.42 -30.31 64.87 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 119.85 1.204 . . . . 0.0 112.88 -178.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.7 t -91.2 -34.45 15.0 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 118.158 0.435 . . . . 0.0 111.398 -173.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 20.5 m -65.66 -30.64 71.36 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 169.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -62.39 -55.68 25.6 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 118.312 -0.851 . . . . 0.0 111.012 176.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -69.48 -23.58 63.66 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 116.538 -2.065 . . . . 0.0 111.23 -167.175 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.418 ' O ' ' HA ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -55.62 1.04 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 129.959 3.303 . . . . 0.0 110.932 169.747 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -113.95 19.74 16.31 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 126.998 2.119 . . . . 0.0 115.375 172.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 mt -69.3 -53.95 17.08 Favored 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 116.259 -2.176 . . . . 0.0 109.363 -156.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 mp -127.68 7.14 6.22 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 127.266 2.227 . . . . 0.0 111.669 168.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 169.91 177.42 0.09 OUTLIER Pre-proline 0 N--CA 1.467 0.381 0 C-N-CA 125.782 1.633 . . . . 0.0 106.853 -166.264 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.418 ' HA ' ' O ' ' A' ' 7' ' ' GLN . 4.5 Cg_exo -31.35 -117.65 0.0 OUTLIER 'Trans proline' 0 CA--C 1.51 -0.713 1 C-N-CA 126.398 4.732 . . . . 0.0 115.743 143.89 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.1 mtm180 -103.01 36.99 2.06 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 116.317 -2.153 . . . . 0.0 112.033 -158.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.9 p -60.55 -27.33 40.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-N 111.92 -2.4 . . . . 0.0 108.696 155.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.4 -42.26 2.22 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.984 2.114 . . . . 0.0 110.452 176.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.0 -37.23 57.86 Favored Glycine 0 CA--C 1.53 0.971 0 C-N-CA 125.054 1.311 . . . . 0.0 112.499 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.503 HD12 ' N ' ' A' ' 17' ' ' LEU . 8.4 mp -84.75 15.96 3.57 Favored 'General case' 0 N--CA 1.44 -0.942 0 C-N-CA 125.945 1.698 . . . . 0.0 110.904 -172.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -140.69 20.64 2.34 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 117.406 -1.718 . . . . 0.0 112.074 -161.203 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -135.52 71.86 65.12 Favored Pre-proline 0 N--CA 1.434 -1.226 0 C-N-CA 123.871 0.868 . . . . 0.0 108.832 169.441 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -48.95 155.21 2.76 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 124.046 3.164 . . . . 0.0 112.327 170.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.92 61.18 5.12 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.185 0.994 . . . . 0.0 109.695 -177.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.37 -55.27 0.17 Allowed Glycine 0 CA--C 1.527 0.783 0 N-CA-C 109.998 -1.241 . . . . 0.0 109.998 -177.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.157 0 CA-C-O 117.035 -1.98 . . . . 0.0 109.98 -178.673 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.475 0.781 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m -69.4 -28.8 66.48 Favored 'General case' 0 C--N 1.345 0.384 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -169.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 t -86.36 -34.21 20.31 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 119.586 1.085 . . . . 0.0 112.293 -164.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 34.5 m -74.03 -20.63 60.24 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 173.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -70.84 -59.56 2.73 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 119.59 -0.243 . . . . 0.0 110.387 169.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -75.28 -15.16 60.54 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 117.893 -1.523 . . . . 0.0 112.996 -161.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -29.12 -51.65 0.1 Allowed 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 130.491 3.516 . . . . 0.0 107.505 168.692 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.4 36.68 1.23 Allowed 'General case' 0 N--CA 1.436 -1.167 0 C-N-CA 131.499 3.919 . . . . 0.0 114.085 -166.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 15' ' ' ARG . 0.4 OUTLIER -65.99 -25.13 66.95 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 114.822 -2.751 . . . . 0.0 109.496 -165.385 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 90.4 mt -137.25 -5.0 1.86 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 127.741 2.417 . . . . 0.0 112.638 157.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 168.55 149.87 0.11 Allowed Pre-proline 0 CA--C 1.547 0.855 0 C-N-CA 126.493 1.917 . . . . 0.0 108.957 -166.513 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -60.16 4.03 0.2 Allowed 'Trans proline' 0 N--CA 1.481 0.784 1 C-N-CA 125.415 4.076 . . . . 0.0 119.275 -161.335 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.6 mtm-85 -148.87 41.4 0.93 Allowed 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 124.177 3.171 . . . . 0.0 110.024 153.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.1 t -67.48 -28.84 43.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 C-N-CA 125.274 1.43 . . . . 0.0 108.794 165.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.411 ' HA ' HD12 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -32.01 -50.58 0.22 Allowed 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 128.002 2.521 . . . . 0.0 111.468 169.383 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.29 -34.85 68.62 Favored Glycine 0 C--N 1.34 0.769 0 C-N-CA 124.385 0.993 . . . . 0.0 112.209 -175.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.521 HD12 ' N ' ' A' ' 17' ' ' LEU . 7.9 mp -86.36 19.07 2.9 Favored 'General case' 0 N--CA 1.435 -1.199 0 C-N-CA 124.883 1.273 . . . . 0.0 110.067 -171.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -149.32 14.96 0.89 Allowed 'General case' 0 C--N 1.343 0.312 0 C-N-CA 116.522 -2.071 . . . . 0.0 114.093 -160.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -133.01 74.71 73.34 Favored Pre-proline 0 N--CA 1.444 -0.759 0 C-N-CA 122.627 0.371 . . . . 0.0 110.794 172.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.79 144.48 76.59 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 123.691 2.928 . . . . 0.0 111.604 167.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.52 60.1 5.86 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.627 0.771 . . . . 0.0 109.729 178.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.66 83.76 0.05 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 109.33 -1.508 . . . . 0.0 109.33 -175.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.176 0 CA-C-O 117.171 -1.905 . . . . 0.0 110.092 177.004 . . . . . . . . 0 0 . 1 stop_ save_