data_2k5k_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 2k5k _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 ' 15' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 121.036 0.445 . . . . 1.0 109.958 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.75 -38.75 58.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.815 -0.63 . . . . 1.0 110.279 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.6 tp -63.47 -44.96 92.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.949 -0.568 . . . . 1.0 109.802 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.0 tpt85 -65.37 -36.15 83.13 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.311 -0.625 . . . . 1.0 109.311 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.27 -41.9 80.56 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.228 -0.656 . . . . 1.0 109.228 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 98.6 mt -62.87 -41.07 99.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.813 -0.63 . . . . 1.0 109.62 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.91 -39.3 93.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.892 -0.595 . . . . 1.0 110.604 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -67.65 -37.84 82.96 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 109.512 -0.551 . . . . 1.0 109.512 179.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.29 -31.33 72.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.87 -0.605 . . . . 1.0 109.8 179.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 . . . . . 0 C--O 1.233 0.23 0 CA-C-N 115.654 -0.703 . . . . 1.0 110.474 179.851 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 . . . . . 0 CA--C 1.523 -0.074 0 CA-C-O 121.042 0.449 . . . . 1.0 109.912 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.48 -24.85 29.25 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.149 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 59.0 tp -62.69 -45.92 90.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.243 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.98 -28.37 60.53 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.451 -0.574 . . . . 1.0 109.451 179.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.25 -43.07 99.05 Favored 'General case' 0 C--O 1.231 0.099 0 N-CA-C 109.351 -0.611 . . . . 1.0 109.351 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 70.4 mt -64.63 -38.15 90.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.622 -0.717 . . . . 1.0 109.558 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.72 -37.24 85.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.899 -0.591 . . . . 1.0 110.359 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.6 -38.57 84.17 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 109.524 -0.547 . . . . 1.0 109.524 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.95 -34.39 77.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.894 -0.594 . . . . 1.0 109.74 178.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 115.692 -0.685 . . . . 1.0 110.428 179.297 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.865 0.364 . . . . 1.0 110.035 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.62 -48.55 79.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.386 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 49.3 mt -63.69 -42.2 98.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.924 -0.58 . . . . 1.0 109.959 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -65.99 -34.64 78.57 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.576 -0.738 . . . . 1.0 109.348 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.24 -40.09 89.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.721 -0.672 . . . . 1.0 109.376 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.3 mt -64.05 -40.34 96.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.708 -0.678 . . . . 1.0 109.684 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.24 -39.48 94.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.295 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -67.77 -32.79 73.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.182 -0.463 . . . . 1.0 109.94 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.26 -36.06 78.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.812 -0.631 . . . . 1.0 109.686 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 115.801 -0.636 . . . . 1.0 109.997 179.673 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 . . . . . 0 C--O 1.23 0.07 0 N-CA-C 109.808 -0.442 . . . . 1.0 109.808 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.04 -39.0 84.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.756 -0.656 . . . . 1.0 110.372 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.8 mt -63.39 -42.98 98.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 1.0 109.946 179.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -66.8 -38.69 86.99 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.981 -0.554 . . . . 1.0 109.606 178.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.14 -38.04 84.97 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 109.393 -0.595 . . . . 1.0 109.393 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.6 tp -61.95 -42.11 98.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.755 -0.657 . . . . 1.0 109.732 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.44 -35.38 80.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.782 -0.644 . . . . 1.0 110.441 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -65.76 -32.26 73.69 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 109.598 -0.519 . . . . 1.0 109.598 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.57 -33.1 69.56 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.839 -0.619 . . . . 1.0 109.725 178.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 . . . . . 0 CA--C 1.53 0.185 0 CA-C-N 115.661 -0.7 . . . . 1.0 110.481 179.515 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 . . . . . 0 C--O 1.233 0.186 0 CA-C-O 121.077 0.465 . . . . 1.0 109.812 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.27 -40.75 97.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.764 -0.653 . . . . 1.0 110.234 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.5 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 4.1 mm? -63.64 -42.12 98.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.984 -0.553 . . . . 1.0 109.853 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -67.18 -36.84 82.63 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.849 -0.614 . . . . 1.0 109.654 179.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.57 -38.81 78.67 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.262 -0.644 . . . . 1.0 109.262 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.0 -43.09 99.57 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.244 -0.65 . . . . 1.0 109.244 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.21 -38.06 89.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.767 -0.651 . . . . 1.0 110.475 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -67.35 -34.24 76.91 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 109.664 -0.495 . . . . 1.0 109.664 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.91 -36.5 83.57 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.956 -0.566 . . . . 1.0 109.842 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.784 -0.644 . . . . 1.0 110.174 179.736 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 . . . . . 0 C--O 1.233 0.192 0 CA-C-O 121.099 0.476 . . . . 1.0 109.735 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.09 -23.06 31.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.747 -0.66 . . . . 1.0 110.138 179.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.9 pp -62.06 -36.92 83.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.871 -0.604 . . . . 1.0 109.57 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 77.7 ttt-85 -77.55 -31.18 53.13 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 115.947 -0.569 . . . . 1.0 109.893 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.71 -22.81 2.26 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.176 -0.676 . . . . 1.0 109.176 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 88.3 mt -61.3 -25.46 67.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.339 -0.846 . . . . 1.0 109.606 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.04 -35.21 77.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.835 -0.62 . . . . 1.0 110.416 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.88 -32.5 74.05 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.603 -0.517 . . . . 1.0 109.603 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.7 -36.19 83.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.941 -0.572 . . . . 1.0 109.838 179.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 . . . . . 0 C--N 1.331 -0.205 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.228 179.907 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 120.835 0.35 . . . . 1.0 110.228 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.37 -47.94 25.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.139 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.47 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 4.1 mm? -65.21 -40.53 94.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.073 0.463 . . . . 1.0 110.002 179.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -64.83 -36.43 84.31 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.785 -0.643 . . . . 1.0 109.524 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.69 -40.51 95.24 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.338 -0.616 . . . . 1.0 109.338 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.1 tp -61.59 -39.68 92.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.717 -0.674 . . . . 1.0 109.489 179.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.97 -35.47 81.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.591 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -66.68 -32.87 74.47 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 109.703 -0.48 . . . . 1.0 109.703 179.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.76 -24.97 53.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.109 -0.496 . . . . 1.0 109.769 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 115.684 -0.689 . . . . 1.0 110.258 179.777 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 . . . . . 0 N--CA 1.456 -0.158 0 CA-C-O 120.984 0.421 . . . . 1.0 110.268 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.39 -37.34 86.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.756 -0.657 . . . . 1.0 110.399 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.4 mt -62.78 -42.69 99.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.086 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -64.97 -38.31 90.55 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.193 -0.669 . . . . 1.0 109.193 178.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.24 -45.25 89.0 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.363 -0.606 . . . . 1.0 109.363 178.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.8 tp -62.05 -39.88 93.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.51 -0.768 . . . . 1.0 109.486 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.87 -37.96 88.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.486 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.401 ' C ' ' N ' ' A' ' 24' ' ' GLU . 74.1 mm-40 -69.51 -35.36 75.44 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.69 -0.485 . . . . 1.0 109.69 178.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.79 -19.4 0.96 Allowed 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.011 -0.541 . . . . 1.0 109.747 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 22' ' ' GLU . 98.4 mt-10 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 115.759 -0.655 . . . . 1.0 110.178 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 . . . . . 0 C--O 1.232 0.172 0 CA-C-O 121.051 0.453 . . . . 1.0 110.136 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.88 -30.3 71.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.585 -0.734 . . . . 1.0 110.092 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 46.7 tp -62.95 -46.18 88.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.043 -0.526 . . . . 1.0 109.941 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.408 ' C ' ' N ' ' A' ' 20' ' ' LEU . 75.2 ttt180 -65.21 -35.25 80.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.86 -0.609 . . . . 1.0 109.434 179.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.06 -22.65 0.96 Allowed 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.082 -0.71 . . . . 1.0 109.082 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.408 ' N ' ' C ' ' A' ' 18' ' ' ARG . 62.3 tp -60.82 -37.9 83.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.331 -0.849 . . . . 1.0 109.276 179.287 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.31 -23.38 5.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.655 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -62.79 -29.17 70.51 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.295 -0.632 . . . . 1.0 109.295 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.96 -21.12 10.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.902 -0.59 . . . . 1.0 109.686 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 . . . . . 0 C--N 1.331 -0.22 0 CA-C-N 115.811 -0.631 . . . . 1.0 110.342 179.759 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.955 0.407 . . . . 1.0 110.07 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.12 -39.14 75.63 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.252 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.1 tp -63.27 -45.93 89.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.967 -0.56 . . . . 1.0 109.721 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -64.85 -36.34 84.03 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.834 -0.621 . . . . 1.0 109.716 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.71 -37.08 39.4 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.324 -0.621 . . . . 1.0 109.324 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.2 tp -62.68 -40.74 98.07 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.625 -0.716 . . . . 1.0 109.42 179.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.28 -37.25 85.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.774 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -65.18 -43.39 91.84 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.5 -0.556 . . . . 1.0 109.5 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.3 -23.43 66.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.982 -0.554 . . . . 1.0 109.85 178.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.474 179.8 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 N--CA 1.488 1.463 0 N-CA-C 108.331 -0.989 . . . . 1.0 108.331 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -147.23 144.61 29.01 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 109.808 -0.442 . . . . 1.0 109.808 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -138.27 -35.47 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.624 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 97.9 mmm -127.83 150.88 49.64 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.517 -0.31 . . . . 1.0 110.496 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.572 ' HG1' ' N ' ' A' ' 6' ' ' GLU . 4.7 p -61.91 -48.34 80.89 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.114 0.483 . . . . 1.0 110.554 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.572 ' N ' ' HG1' ' A' ' 5' ' ' THR . 96.6 mt-10 38.34 -121.11 0.25 Allowed 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.549 -0.751 . . . . 1.0 111.355 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -67.88 131.47 45.58 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.596 0.236 . . . . 1.0 110.723 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 92.0 m -123.54 129.15 50.77 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.859 0.361 . . . . 1.0 110.09 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -74.0 158.47 34.3 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.455 -0.572 . . . . 1.0 109.455 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -127.97 138.87 52.78 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.514 -0.55 . . . . 1.0 109.514 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 39.42 71.8 0.16 Allowed 'General case' 0 C--O 1.236 0.342 0 CA-C-N 115.572 -0.74 . . . . 1.0 111.76 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.9 mt -50.71 146.55 9.62 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 115.468 -0.787 . . . . 1.0 110.553 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -67.19 162.45 38.42 Favored 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 122.14 1.893 . . . . 1.0 111.917 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -74.91 46.61 1.55 Allowed 'Trans proline' 0 N--CA 1.492 1.42 0 C-N-CA 122.477 2.118 . . . . 1.0 111.852 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -66.42 -44.9 81.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.974 -0.557 . . . . 1.0 109.958 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.75 -38.75 58.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.815 -0.63 . . . . 1.0 110.279 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.6 tp -63.47 -44.96 92.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.949 -0.568 . . . . 1.0 109.802 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.0 tpt85 -65.37 -36.15 83.13 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.311 -0.625 . . . . 1.0 109.311 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.27 -41.9 80.56 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.228 -0.656 . . . . 1.0 109.228 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 98.6 mt -62.87 -41.07 99.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.813 -0.63 . . . . 1.0 109.62 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.91 -39.3 93.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.892 -0.595 . . . . 1.0 110.604 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -67.65 -37.84 82.96 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 109.512 -0.551 . . . . 1.0 109.512 179.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' A' ' 26' ' ' ARG . . . -64.29 -31.33 72.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.87 -0.605 . . . . 1.0 109.8 179.045 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.466 ' C ' ' N ' ' A' ' 26' ' ' ARG . 84.0 tt0 -69.39 -38.59 78.07 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.654 -0.703 . . . . 1.0 110.474 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -47.77 -16.8 0.08 Allowed 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.03 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.466 ' N ' ' C ' ' A' ' 24' ' ' GLU . 52.9 ptt85 -142.44 147.23 35.79 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.916 -0.584 . . . . 1.0 111.113 -179.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 88.6 mtm-85 -143.43 153.79 43.02 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 116.064 -0.517 . . . . 1.0 110.198 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -60.67 -42.5 97.17 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.077 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -63.6 -35.66 81.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.923 0.392 . . . . 1.0 110.438 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.59 -35.89 82.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp -67.82 -3.06 8.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.457 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 75.02 53.84 0.07 Allowed 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.474 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 58.7 tp -151.4 86.23 1.34 Allowed 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.772 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.417 ' O ' ' CB ' ' A' ' 35' ' ' LEU . 67.6 t0 -63.74 -39.12 93.51 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.148 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.417 ' CB ' ' O ' ' A' ' 34' ' ' ASP . 2.9 tp 77.45 57.2 0.2 Allowed Pre-proline 0 CA--C 1.532 0.287 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.398 179.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -67.01 -17.92 51.51 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.389 2.06 . . . . 1.0 112.509 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -61.43 136.36 58.0 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 120.733 0.302 . . . . 1.0 111.257 -179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -159.99 -40.45 0.05 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.519 -0.31 . . . . 1.0 110.525 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 42.9 pt -69.69 -25.44 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 120.88 0.372 . . . . 1.0 110.604 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.95 175.18 46.53 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 111.645 -0.582 . . . . 1.0 111.645 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -163.47 72.43 0.19 Allowed Glycine 0 CA--C 1.533 1.173 0 N-CA-C 111.651 -0.579 . . . . 1.0 111.651 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 79.6 mtp85 -77.28 148.26 35.83 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.128 0.489 . . . . 1.0 111.664 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -72.35 139.68 48.04 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.926 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -123.35 -162.73 11.57 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 110.805 -0.918 . . . . 1.0 110.805 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -58.07 145.01 93.87 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 123.05 2.5 . . . . 1.0 112.846 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -161.7 80.71 1.97 Allowed Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.982 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -60.0 145.89 97.28 Favored 'Trans proline' 0 N--CA 1.498 1.776 0 C-N-CA 122.54 2.16 . . . . 1.0 111.997 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 85.5 t -56.26 157.05 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-N 116.066 -0.516 . . . . 1.0 111.528 -179.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 -76.24 65.5 2.2 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.964 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -107.0 142.08 37.19 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.956 -0.566 . . . . 1.0 109.886 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -158.95 159.91 30.71 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.863 -0.895 . . . . 1.0 110.863 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.454 ' OD1' ' O ' ' A' ' 52' ' ' ASP . 47.8 p-10 -147.82 103.65 3.52 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.909 0.385 . . . . 1.0 111.242 -179.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 4.1 m-90 -108.24 136.59 47.64 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.341 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -134.25 55.78 1.88 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.267 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.64 -43.94 95.29 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.909 -0.587 . . . . 1.0 112.053 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.9 pttm -58.19 137.97 56.6 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.824 0.345 . . . . 1.0 110.834 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.459 ' O ' ' CG2' ' A' ' 60' ' ' ILE . . . 162.39 -160.43 32.65 Favored Glycine 0 CA--C 1.527 0.781 0 N-CA-C 110.981 -0.848 . . . . 1.0 110.981 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.72 -42.88 96.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.964 0.411 . . . . 1.0 110.763 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.99 -10.37 59.62 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.02 -0.536 . . . . 1.0 111.233 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.459 ' CG2' ' O ' ' A' ' 57' ' ' GLY . 20.6 tt -39.55 109.8 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-O 121.263 0.554 . . . . 1.0 111.165 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -154.79 176.01 13.0 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.721 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 84.6 t80 . . . . . 0 C--O 1.222 -0.369 0 CA-C-O 117.963 -1.018 . . . . 1.0 111.063 179.877 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.3 ttp . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.263 -0.643 . . . . 1.0 109.263 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 86.4 mtm-85 -86.0 133.83 33.89 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.611 -0.515 . . . . 1.0 109.611 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.53 ' OD1' ' N ' ' A' ' 4' ' ' MET . 10.8 t70 -92.02 165.75 13.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.002 -0.545 . . . . 1.0 111.083 -178.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.53 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 28.2 ttt -87.77 -99.82 0.08 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.457 -0.338 . . . . 1.0 111.295 -179.259 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.2 p -62.73 -50.73 69.92 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.015 0.436 . . . . 1.0 110.691 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -65.64 141.77 58.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.605 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -101.33 111.64 23.93 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.425 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 35.6 m -90.44 129.81 36.58 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 109.948 -0.39 . . . . 1.0 109.948 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -138.17 -78.2 0.37 Allowed 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 109.41 -0.589 . . . . 1.0 109.41 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -87.34 -79.72 0.27 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.087 -0.506 . . . . 1.0 109.654 179.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -161.36 -91.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.663 -0.415 . . . . 1.0 111.136 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.3 mt -75.6 147.25 81.49 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.562 -179.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -64.24 140.64 71.91 Favored 'Trans proline' 0 N--CA 1.49 1.276 0 C-N-CA 121.901 1.734 . . . . 1.0 111.959 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -76.08 8.89 2.62 Favored 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 122.47 2.114 . . . . 1.0 111.731 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -66.2 -39.01 89.35 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.153 -0.476 . . . . 1.0 109.912 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.48 -24.85 29.25 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.149 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 59.0 tp -62.69 -45.92 90.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.243 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.98 -28.37 60.53 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.451 -0.574 . . . . 1.0 109.451 179.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.25 -43.07 99.05 Favored 'General case' 0 C--O 1.231 0.099 0 N-CA-C 109.351 -0.611 . . . . 1.0 109.351 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 70.4 mt -64.63 -38.15 90.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.622 -0.717 . . . . 1.0 109.558 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.72 -37.24 85.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.899 -0.591 . . . . 1.0 110.359 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.6 -38.57 84.17 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 109.524 -0.547 . . . . 1.0 109.524 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.95 -34.39 77.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.894 -0.594 . . . . 1.0 109.74 178.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -72.95 -37.27 67.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.692 -0.685 . . . . 1.0 110.428 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -82.66 -17.53 44.24 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.014 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 49.33 67.44 0.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.608 -0.724 . . . . 1.0 111.694 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.9 mmt180 -81.18 144.15 31.84 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.894 0.378 . . . . 1.0 110.332 179.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 79.4 mtp85 -62.0 -31.57 71.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.932 -0.577 . . . . 1.0 111.037 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -60.66 -37.84 82.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.44 -0.345 . . . . 1.0 110.541 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.75 -36.76 83.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.582 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -61.16 -42.15 98.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.458 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.66 -9.27 53.61 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.767 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.7 mt -115.03 10.33 16.2 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.729 0.3 . . . . 1.0 110.272 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -82.55 110.24 17.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.695 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.68 152.17 59.56 Favored Pre-proline 0 CA--C 1.535 0.367 0 CA-C-N 116.666 -0.243 . . . . 1.0 110.923 -179.364 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -66.12 149.89 85.43 Favored 'Trans proline' 0 N--CA 1.498 1.778 0 C-N-CA 122.669 2.246 . . . . 1.0 112.264 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -138.36 -73.83 0.4 Allowed 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.49 -0.323 . . . . 1.0 110.969 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -169.14 -79.63 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 120.712 -0.395 . . . . 1.0 110.579 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 18.3 tt -128.99 134.29 64.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 CA-C-O 120.708 0.29 . . . . 1.0 110.347 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -155.19 163.29 31.41 Favored Glycine 0 CA--C 1.529 0.936 0 N-CA-C 111.242 -0.743 . . . . 1.0 111.242 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 60.7 105.3 0.01 OUTLIER Glycine 0 CA--C 1.531 1.085 0 N-CA-C 111.758 -0.537 . . . . 1.0 111.758 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 45.96 83.94 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.82 0.343 . . . . 1.0 111.651 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -74.36 64.0 1.09 Allowed 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.807 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.575 ' N ' ' CD ' ' A' ' 45' ' ' PRO . . . -85.48 -44.89 6.0 Favored Glycine 0 CA--C 1.529 0.935 0 N-CA-C 111.125 -0.79 . . . . 1.0 111.125 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 44' ' ' GLY . 37.9 Cg_exo -59.59 145.41 98.14 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 123.192 2.595 . . . . 1.0 112.748 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -39.61 151.15 0.23 Allowed Pre-proline 0 CA--C 1.535 0.404 0 CA-C-N 115.601 -0.727 . . . . 1.0 111.246 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.428 ' O ' ' O ' ' A' ' 48' ' ' VAL . 43.6 Cg_endo -66.98 -20.85 50.5 Favored 'Trans proline' 0 N--CA 1.501 1.964 0 C-N-CA 122.815 2.343 . . . . 1.0 112.17 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' A' ' 47' ' ' PRO . 46.9 t 52.98 113.36 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-O 120.885 0.374 . . . . 1.0 111.442 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -133.48 67.02 1.54 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.925 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -133.61 58.79 1.76 Allowed 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.175 -0.466 . . . . 1.0 109.846 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -74.49 -149.73 1.88 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.306 -0.718 . . . . 1.0 111.306 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -84.29 77.18 10.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.666 0.27 . . . . 1.0 111.274 -179.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 98.9 m95 36.99 80.95 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.167 -0.47 . . . . 1.0 111.22 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -154.23 135.58 14.13 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-O 121.528 0.68 . . . . 1.0 111.488 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.7 mttp 51.74 76.42 0.17 Allowed 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.194 -0.912 . . . . 1.0 111.887 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 66.5 tttm -137.26 126.51 24.7 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 120.827 0.346 . . . . 1.0 110.463 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -89.42 -175.95 46.03 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 110.876 -0.89 . . . . 1.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 19.9 tt -104.08 132.07 51.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-O 121.135 0.493 . . . . 1.0 110.79 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.599 ' C ' ' H ' ' A' ' 61' ' ' ASP . . . 48.25 20.78 0.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.757 -0.656 . . . . 1.0 111.223 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.42 ' O ' ' CG2' ' A' ' 60' ' ' ILE . 95.0 mt 52.81 2.3 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-O 120.933 0.397 . . . . 1.0 111.143 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.599 ' H ' ' C ' ' A' ' 59' ' ' ALA . 37.2 t70 -65.62 137.66 57.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.505 -0.316 . . . . 1.0 111.202 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.092 -0.956 . . . . 1.0 111.02 -179.871 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtt . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.88 -0.415 . . . . 1.0 109.88 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -62.46 -42.54 99.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.135 0.493 . . . . 1.0 109.685 179.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 48.08 -115.28 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.611 -0.722 . . . . 1.0 110.957 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.4 ' O ' ' N ' ' A' ' 6' ' ' GLU . 94.7 mtp 37.79 45.52 0.67 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.135 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.4 m 64.02 -79.11 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.22 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 4' ' ' MET . 80.4 mm-40 36.91 41.64 0.19 Allowed 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.543 -0.299 . . . . 1.0 111.467 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -70.63 124.73 24.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.957 0.408 . . . . 1.0 110.695 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.0 p -142.49 176.24 9.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.219 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.3 mmm-85 -59.22 -26.36 64.79 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.23 -0.655 . . . . 1.0 109.23 178.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.4 mttt 57.79 86.89 0.07 Allowed 'General case' 0 CA--C 1.521 -0.14 0 CA-C-O 121.302 0.572 . . . . 1.0 110.231 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -81.25 -171.54 3.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.233 -0.894 . . . . 1.0 111.36 -179.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.2 pp -47.17 147.49 2.5 Favored Pre-proline 0 CA--C 1.536 0.424 0 CA-C-N 115.603 -0.726 . . . . 1.0 110.549 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -63.11 130.7 29.75 Favored 'Trans proline' 0 N--CA 1.502 2.014 0 C-N-CA 122.264 1.976 . . . . 1.0 111.79 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -77.37 3.19 6.97 Favored 'Trans proline' 0 N--CA 1.494 1.557 0 C-N-CA 122.052 1.835 . . . . 1.0 111.879 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -58.26 -35.3 71.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.035 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.62 -48.55 79.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.386 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 49.3 mt -63.69 -42.2 98.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.924 -0.58 . . . . 1.0 109.959 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -65.99 -34.64 78.57 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.576 -0.738 . . . . 1.0 109.348 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.24 -40.09 89.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.721 -0.672 . . . . 1.0 109.376 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.3 mt -64.05 -40.34 96.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.708 -0.678 . . . . 1.0 109.684 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.24 -39.48 94.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.295 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -67.77 -32.79 73.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.182 -0.463 . . . . 1.0 109.94 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.26 -36.06 78.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.812 -0.631 . . . . 1.0 109.686 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -67.38 -44.08 79.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.801 -0.636 . . . . 1.0 109.997 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' A' ' 26' ' ' ARG . 96.7 mt-10 -68.57 -34.08 75.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.109 -0.496 . . . . 1.0 109.919 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.448 ' O ' ' O ' ' A' ' 25' ' ' GLU . 33.6 ptt180 37.45 -163.16 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.734 -0.666 . . . . 1.0 111.479 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -100.88 91.59 4.66 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.575 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -66.66 -36.07 81.66 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.91 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.0 ptp180 -61.05 -23.47 65.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.829 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.97 -34.94 79.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.676 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -59.53 -41.61 90.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.568 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.57 6.76 22.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.449 -0.342 . . . . 1.0 110.828 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 47.0 tp -145.87 82.7 1.63 Allowed 'General case' 0 N--CA 1.463 0.225 0 N-CA-C 109.771 -0.455 . . . . 1.0 109.771 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.486 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 21.9 p-10 -93.15 3.88 54.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.803 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 32.4 mt -126.1 61.21 39.58 Favored Pre-proline 0 N--CA 1.47 0.564 0 CA-C-N 116.454 -0.339 . . . . 1.0 111.102 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.84 -16.09 45.18 Favored 'Trans proline' 0 N--CA 1.498 1.768 0 C-N-CA 122.626 2.217 . . . . 1.0 112.367 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -68.3 145.51 54.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.701 0.286 . . . . 1.0 110.366 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -119.81 44.56 2.37 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.919 0.39 . . . . 1.0 110.19 179.776 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 90.3 mt 55.02 -82.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.53 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 38' ' ' GLU . . . 79.32 -173.6 55.24 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.427 -0.669 . . . . 1.0 111.427 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' A' ' 42' ' ' ARG . . . 150.52 38.87 0.03 OUTLIER Glycine 0 CA--C 1.527 0.83 0 N-CA-C 111.282 -0.727 . . . . 1.0 111.282 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.472 ' O ' ' O ' ' A' ' 41' ' ' GLY . 75.2 ttt180 39.02 101.84 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.092 0.472 . . . . 1.0 111.539 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -67.56 119.59 12.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.699 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.97 -162.62 38.67 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.048 -0.821 . . . . 1.0 111.048 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -47.96 170.41 0.06 OUTLIER 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 122.866 2.378 . . . . 1.0 112.347 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.433 ' O ' ' O ' ' A' ' 47' ' ' PRO . 6.5 tp10 -116.69 85.43 16.98 Favored Pre-proline 0 N--CA 1.47 0.552 0 CA-C-N 115.968 -0.56 . . . . 1.0 111.004 -179.078 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.433 ' O ' ' O ' ' A' ' 46' ' ' GLU . 50.6 Cg_exo -53.03 -158.81 0.0 OUTLIER 'Trans proline' 0 N--CA 1.497 1.714 0 C-N-CA 122.595 2.196 . . . . 1.0 112.601 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.72 132.8 19.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.949 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 34.2 ptt-85 -137.23 10.67 3.02 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -102.62 128.73 49.17 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.578 -0.283 . . . . 1.0 110.595 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -147.46 111.27 0.54 Allowed Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.906 -0.878 . . . . 1.0 110.906 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -83.22 166.91 18.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.863 0.363 . . . . 1.0 111.022 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -70.78 171.17 11.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.797 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.413 ' CG ' ' H ' ' A' ' 55' ' ' LYS . 4.3 pt-20 -67.12 -106.79 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.681 -0.69 . . . . 1.0 110.798 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.413 ' H ' ' CG ' ' A' ' 54' ' ' GLU . 44.3 tttp 47.37 27.54 0.92 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.471 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -141.1 156.05 46.04 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.788 0.328 . . . . 1.0 110.421 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.608 ' C ' ' H ' ' A' ' 59' ' ' ALA . . . 95.61 -145.5 17.79 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.772 -0.931 . . . . 1.0 110.772 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 92.2 mt 57.33 -2.75 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 CA-C-O 120.748 0.309 . . . . 1.0 110.908 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.608 ' H ' ' C ' ' A' ' 57' ' ' GLY . . . -151.97 9.96 0.52 Allowed 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.601 -0.272 . . . . 1.0 110.64 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.427 ' C ' ' O ' ' A' ' 59' ' ' ALA . 31.4 pt 32.08 53.31 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-O 121.191 0.519 . . . . 1.0 111.631 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -64.95 142.64 58.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.733 -0.667 . . . . 1.0 110.865 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 93.5 t80 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.026 -0.988 . . . . 1.0 110.417 -179.786 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.1 mtp . . . . . 0 N--CA 1.487 1.414 0 N-CA-C 108.517 -0.92 . . . . 1.0 108.517 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -93.8 136.93 33.57 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 109.548 -0.538 . . . . 1.0 109.548 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 50.4 p30 -82.42 152.27 26.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.745 -0.662 . . . . 1.0 110.985 -179.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 52.0 ttp -163.39 -34.04 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.645 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 72.3 p -132.69 160.53 36.47 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 120.953 0.406 . . . . 1.0 110.545 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -161.51 163.71 30.08 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.639 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.514 ' N ' ' OE1' ' A' ' 7' ' ' GLU . 56.2 mp0 -87.51 114.07 23.78 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 116.548 -0.296 . . . . 1.0 110.667 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.0 m -123.89 129.51 51.11 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 109.96 -0.385 . . . . 1.0 109.96 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -86.45 63.49 8.02 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 108.978 -0.749 . . . . 1.0 108.978 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -63.37 -40.19 96.59 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.51 -0.768 . . . . 1.0 109.956 -179.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -114.64 -178.14 3.3 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.206 0.527 . . . . 1.0 111.651 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.0 mt -60.38 147.28 82.61 Favored Pre-proline 0 CA--C 1.533 0.299 0 CA-C-N 115.506 -0.77 . . . . 1.0 110.414 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -38.81 102.57 0.04 OUTLIER 'Trans proline' 0 C--N 1.316 -1.183 0 C-N-CA 122.411 2.074 . . . . 1.0 112.034 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -82.14 0.15 9.95 Favored 'Trans proline' 0 C--N 1.314 -1.284 0 C-N-CA 122.536 2.157 . . . . 1.0 111.825 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -56.4 -29.11 61.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.0 -0.546 . . . . 1.0 109.808 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.04 -39.0 84.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.756 -0.656 . . . . 1.0 110.372 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.8 mt -63.39 -42.98 98.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 1.0 109.946 179.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -66.8 -38.69 86.99 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.981 -0.554 . . . . 1.0 109.606 178.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.14 -38.04 84.97 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 109.393 -0.595 . . . . 1.0 109.393 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.6 tp -61.95 -42.11 98.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.755 -0.657 . . . . 1.0 109.732 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.408 ' O ' ' OE1' ' A' ' 25' ' ' GLU . . . -64.44 -35.38 80.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.782 -0.644 . . . . 1.0 110.441 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -65.76 -32.26 73.69 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 109.598 -0.519 . . . . 1.0 109.598 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.57 -33.1 69.56 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.839 -0.619 . . . . 1.0 109.725 178.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -69.79 -40.79 75.79 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.661 -0.7 . . . . 1.0 110.481 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.408 ' OE1' ' O ' ' A' ' 21' ' ' ALA . 2.2 mp0 -68.79 -35.56 77.18 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.107 179.273 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -44.76 124.24 4.21 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.53 -0.759 . . . . 1.0 111.705 -178.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.0 tpp85 -157.35 50.15 0.45 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.614 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -69.76 -19.64 63.52 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.027 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -67.24 -22.15 65.71 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.618 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.07 -23.58 22.51 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.817 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -62.3 -44.84 95.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.457 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.47 12.43 6.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.597 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 49.7 tp -155.16 104.52 2.45 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.396 -0.366 . . . . 1.0 110.803 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 44.1 p-10 -69.96 142.14 52.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.052 -0.522 . . . . 1.0 111.228 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -43.41 153.29 0.38 Allowed Pre-proline 0 CA--C 1.536 0.433 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.291 -179.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -65.96 -20.2 57.74 Favored 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 122.214 1.943 . . . . 1.0 112.565 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -72.88 -171.66 0.9 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.653 -0.249 . . . . 1.0 110.945 -179.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -142.21 -162.67 1.45 Allowed 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 110.031 -0.359 . . . . 1.0 110.031 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 42.6 pt -96.38 -5.74 9.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-O 120.783 0.325 . . . . 1.0 110.464 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 63.99 -134.88 40.35 Favored Glycine 0 CA--C 1.527 0.824 0 CA-C-N 115.986 -0.552 . . . . 1.0 111.819 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.97 153.39 8.9 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.34 -0.704 . . . . 1.0 111.34 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -76.36 -19.62 58.0 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 111.978 0.362 . . . . 1.0 111.978 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -94.73 144.15 25.86 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.832 0.349 . . . . 1.0 110.733 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 165.27 -72.29 0.18 Allowed Glycine 0 CA--C 1.528 0.848 0 N-CA-C 110.963 -0.855 . . . . 1.0 110.963 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -64.97 -23.83 61.08 Favored 'Trans proline' 0 N--CA 1.497 1.708 0 C-N-CA 123.006 2.471 . . . . 1.0 112.568 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 33.99 62.45 1.83 Allowed Pre-proline 0 CA--C 1.535 0.396 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.975 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -68.63 149.14 73.54 Favored 'Trans proline' 0 N--CA 1.496 1.668 0 C-N-CA 122.521 2.147 . . . . 1.0 111.959 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -73.22 -95.29 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-N 116.061 -0.518 . . . . 1.0 111.825 -179.337 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 48.58 58.47 5.21 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.006 0.431 . . . . 1.0 111.087 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -104.92 7.77 34.37 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.093 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.85 68.98 1.7 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.1 -0.8 . . . . 1.0 111.1 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -71.63 142.92 49.94 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 120.962 0.411 . . . . 1.0 111.59 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 91.8 t90 -78.34 110.77 13.67 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.846 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -171.45 37.29 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 120.901 0.382 . . . . 1.0 111.28 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' A' ' 56' ' ' LYS . 54.7 mtpt -63.08 -44.65 95.19 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.916 -0.583 . . . . 1.0 112.083 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' A' ' 55' ' ' LYS . 68.9 mttm 39.71 -163.23 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.821 0.343 . . . . 1.0 110.813 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -87.46 -175.42 48.63 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.53 -43.4 98.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.831 0.348 . . . . 1.0 110.511 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -150.06 -50.37 0.14 Allowed 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.491 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 20.9 tt -154.88 -39.35 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 C-N-CA 120.834 -0.346 . . . . 1.0 111.284 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.48 ' CG ' ' H ' ' A' ' 62' ' ' PHE . 34.4 t70 58.73 174.35 0.07 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.469 179.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.48 ' H ' ' CG ' ' A' ' 61' ' ' ASP . 87.6 t80 . . . . . 0 C--O 1.222 -0.379 0 CA-C-O 117.958 -1.02 . . . . 1.0 111.13 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.0 ptt? . . . . . 0 N--CA 1.487 1.386 0 N-CA-C 109.406 -0.59 . . . . 1.0 109.406 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 17.8 tpt180 -73.93 131.21 41.22 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.519 -0.549 . . . . 1.0 109.519 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -136.98 54.71 1.85 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.135 0.493 . . . . 1.0 110.746 -179.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 91.3 mtp -64.85 -39.92 94.34 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.85 -0.614 . . . . 1.0 110.99 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 86.1 m -144.4 119.53 10.1 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 110.146 -0.316 . . . . 1.0 110.146 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -162.49 120.04 2.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.078 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.463 ' CD ' ' N ' ' A' ' 7' ' ' GLU . 1.6 pm0 -162.1 60.06 0.24 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.944 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 9' ' ' ARG . 11.6 m -63.56 -42.29 98.35 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.472 -0.331 . . . . 1.0 110.722 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.409 ' O ' ' O ' ' A' ' 8' ' ' THR . 35.0 ttm180 62.03 131.03 0.01 OUTLIER 'General case' 0 C--O 1.232 0.179 0 N-CA-C 109.654 -0.499 . . . . 1.0 109.654 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -88.76 61.46 6.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.529 0.681 . . . . 1.0 110.604 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.575 ' CG ' ' H ' ' A' ' 12' ' ' LEU . 25.5 t0 38.96 -157.49 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 114.918 -1.037 . . . . 1.0 111.747 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.575 ' H ' ' CG ' ' A' ' 11' ' ' ASP . 21.2 mt -110.89 99.19 41.5 Favored Pre-proline 0 CA--C 1.534 0.34 0 CA-C-N 116.033 -0.531 . . . . 1.0 109.942 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.478 ' N ' ' CD ' ' A' ' 14' ' ' PRO . 26.4 Cg_exo -53.17 -44.08 51.86 Favored 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 122.187 1.925 . . . . 1.0 112.391 178.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 13' ' ' PRO . 92.5 Cg_endo -83.53 42.08 1.18 Allowed 'Trans proline' 0 C--N 1.318 -1.039 0 C-N-CA 122.25 1.967 . . . . 1.0 112.005 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -66.62 -38.91 87.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.937 -0.574 . . . . 1.0 109.812 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.27 -40.75 97.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.764 -0.653 . . . . 1.0 110.234 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.5 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 4.1 mm? -63.64 -42.12 98.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.984 -0.553 . . . . 1.0 109.853 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -67.18 -36.84 82.63 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.849 -0.614 . . . . 1.0 109.654 179.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.57 -38.81 78.67 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.262 -0.644 . . . . 1.0 109.262 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.0 -43.09 99.57 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.244 -0.65 . . . . 1.0 109.244 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.21 -38.06 89.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.767 -0.651 . . . . 1.0 110.475 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -67.35 -34.24 76.91 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 109.664 -0.495 . . . . 1.0 109.664 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.91 -36.5 83.57 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.956 -0.566 . . . . 1.0 109.842 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.75 -38.98 90.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.784 -0.644 . . . . 1.0 110.174 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -66.18 -34.4 77.96 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 109.881 -0.415 . . . . 1.0 109.881 179.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 57.5 ttm-85 70.43 52.01 0.35 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.374 -0.83 . . . . 1.0 111.691 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.9 mmt85 -133.37 19.03 3.98 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 120.694 0.283 . . . . 1.0 110.395 178.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -65.02 -39.54 93.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.308 -0.405 . . . . 1.0 111.109 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -64.5 -38.86 92.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.698 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.31 -41.09 97.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.793 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.25 -41.72 99.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.353 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.77 -23.88 67.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.433 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.12 85.13 2.0 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.202 0.525 . . . . 1.0 110.671 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.436 ' O ' ' CB ' ' A' ' 35' ' ' LEU . 43.7 t0 -68.89 -26.09 64.93 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.799 -0.637 . . . . 1.0 111.086 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.436 ' CB ' ' O ' ' A' ' 34' ' ' ASP . 1.8 tt 79.5 74.43 0.14 Allowed Pre-proline 0 N--CA 1.467 0.413 0 CA-C-O 121.08 0.467 . . . . 1.0 110.972 179.733 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -60.65 146.58 96.9 Favored 'Trans proline' 0 N--CA 1.497 1.725 0 C-N-CA 122.738 2.292 . . . . 1.0 112.152 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -58.8 132.4 53.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.134 -0.485 . . . . 1.0 111.199 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -156.34 -20.18 0.1 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.609 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 20.7 tt -66.76 -41.06 87.38 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-O 120.817 0.341 . . . . 1.0 110.546 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.37 163.12 46.34 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.768 -0.533 . . . . 1.0 111.768 -179.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.26 58.5 6.02 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.533 -0.627 . . . . 1.0 111.533 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -73.17 147.05 45.14 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.854 0.359 . . . . 1.0 111.494 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -98.52 142.37 30.21 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.863 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -162.42 57.31 0.29 Allowed Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.004 -0.839 . . . . 1.0 111.004 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -74.07 155.22 47.58 Favored 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 123.133 2.556 . . . . 1.0 112.579 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.564 ' CD ' ' H ' ' A' ' 46' ' ' GLU . 2.0 pm0 -52.89 150.7 9.56 Favored Pre-proline 0 CA--C 1.538 0.512 0 CA-C-N 115.55 -0.75 . . . . 1.0 111.228 -179.508 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -67.16 150.98 82.06 Favored 'Trans proline' 0 N--CA 1.498 1.791 0 C-N-CA 122.813 2.342 . . . . 1.0 112.158 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.544 ' O ' ' N ' ' A' ' 50' ' ' PHE . 2.7 t -81.63 47.05 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 116.226 -0.443 . . . . 1.0 111.505 -179.144 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 56.59 -73.15 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.509 -0.314 . . . . 1.0 111.313 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.544 ' N ' ' O ' ' A' ' 48' ' ' VAL . 93.1 m-85 -62.85 -42.85 99.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.809 0.338 . . . . 1.0 110.359 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.63 -157.88 44.46 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.385 -0.686 . . . . 1.0 111.385 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 53.3 p30 -83.51 173.04 11.8 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.707 0.289 . . . . 1.0 111.18 -179.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 4.0 m0 -101.06 144.84 29.49 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.592 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -139.12 38.26 2.12 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.824 0.345 . . . . 1.0 111.225 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -63.83 -41.58 97.81 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.8 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -68.83 143.92 54.43 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 120.821 -0.352 . . . . 1.0 110.716 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -130.45 -147.8 6.23 Favored Glycine 0 N--CA 1.467 0.702 0 N-CA-C 111.002 -0.839 . . . . 1.0 111.002 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.405 ' CG2' ' N ' ' A' ' 59' ' ' ALA . 20.9 tt -66.45 -41.18 88.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-O 120.733 0.301 . . . . 1.0 110.605 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.604 ' C ' ' H ' ' A' ' 61' ' ' ASP . . . -134.87 28.48 3.53 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.743 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 90.7 mt 57.27 -3.28 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 116.337 -0.392 . . . . 1.0 111.131 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.604 ' H ' ' C ' ' A' ' 59' ' ' ALA . 36.5 p30 -174.19 -115.24 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.678 -0.237 . . . . 1.0 110.705 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.5 ' H ' ' CG ' ' A' ' 61' ' ' ASP . 85.9 t80 . . . . . 0 N--CA 1.469 0.48 0 CA-C-O 118.092 -0.956 . . . . 1.0 110.931 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.1 mmm . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.171 -0.677 . . . . 1.0 109.171 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -65.57 -36.9 85.12 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.563 -0.532 . . . . 1.0 109.563 178.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -88.47 102.34 14.81 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.443 -0.799 . . . . 1.0 110.746 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 61.8 ttp -148.25 127.7 13.15 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.256 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 54.7 m 43.86 92.56 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.756 0.313 . . . . 1.0 110.404 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -133.44 9.87 4.03 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.15 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -138.16 132.44 31.93 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 120.838 0.351 . . . . 1.0 110.2 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 87.8 m -130.47 130.82 44.71 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.535 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 -65.08 -93.17 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.07 0.462 . . . . 1.0 110.432 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -57.73 102.72 0.1 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.984 -0.553 . . . . 1.0 109.577 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -150.93 150.34 30.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.771 -0.65 . . . . 1.0 110.752 -179.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.4 mp -109.31 99.53 36.96 Favored Pre-proline 0 CA--C 1.539 0.539 0 CA-C-N 116.1 -0.5 . . . . 1.0 109.764 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -77.01 144.15 23.61 Favored 'Trans proline' 0 N--CA 1.489 1.252 0 C-N-CA 121.58 1.52 . . . . 1.0 112.019 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.432 ' C ' ' N ' ' A' ' 16' ' ' ALA . 72.9 Cg_endo -74.38 -160.97 0.11 Allowed 'Trans proline' 0 N--CA 1.496 1.645 0 C-N-CA 122.438 2.092 . . . . 1.0 112.196 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -50.37 -17.23 0.43 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.069 -0.514 . . . . 1.0 109.735 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.432 ' N ' ' C ' ' A' ' 14' ' ' PRO . . . -56.09 -23.06 31.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.747 -0.66 . . . . 1.0 110.138 179.11 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.9 pp -62.06 -36.92 83.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.871 -0.604 . . . . 1.0 109.57 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 77.7 ttt-85 -77.55 -31.18 53.13 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 115.947 -0.569 . . . . 1.0 109.893 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.71 -22.81 2.26 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.176 -0.676 . . . . 1.0 109.176 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 88.3 mt -61.3 -25.46 67.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.339 -0.846 . . . . 1.0 109.606 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.04 -35.21 77.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.835 -0.62 . . . . 1.0 110.416 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.88 -32.5 74.05 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.603 -0.517 . . . . 1.0 109.603 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 26' ' ' ARG . . . -64.7 -36.19 83.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.941 -0.572 . . . . 1.0 109.838 179.002 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -56.97 -34.18 67.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.228 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -63.57 -41.22 98.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.047 0.451 . . . . 1.0 110.134 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.411 ' O ' ' O ' ' A' ' 23' ' ' ALA . 77.9 ttt180 -94.91 137.28 34.17 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.743 -0.662 . . . . 1.0 111.248 -179.351 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 56.1 ttp180 60.02 62.94 1.53 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.91 -0.587 . . . . 1.0 110.71 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -61.51 -30.05 70.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.721 -0.672 . . . . 1.0 111.125 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 33' ' ' LEU . 54.7 ptt85 -60.48 -14.64 20.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.452 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.75 -39.9 74.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.915 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -81.37 -3.98 54.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.553 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' A' ' 33' ' ' LEU . . . -123.8 -84.84 0.65 Allowed 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 109.647 -0.501 . . . . 1.0 109.647 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.498 ' CB ' ' O ' ' A' ' 32' ' ' ALA . 3.0 tp 86.49 -33.85 0.04 OUTLIER 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.825 -0.435 . . . . 1.0 109.825 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.453 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 29.6 p-10 -173.31 92.6 0.1 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.774 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.605 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -78.55 -38.76 1.53 Allowed Pre-proline 0 CA--C 1.535 0.386 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.644 -179.832 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 35' ' ' LEU . 44.8 Cg_exo -54.63 -41.17 80.05 Favored 'Trans proline' 0 N--CA 1.498 1.775 0 C-N-CA 122.316 2.011 . . . . 1.0 112.557 -178.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 84.9 tttt 34.48 75.98 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.698 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -151.03 -49.28 0.12 Allowed 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.566 -0.288 . . . . 1.0 110.632 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.4 ' CG2' ' N ' ' A' ' 40' ' ' GLY . 20.7 tt -66.74 -41.78 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 120.777 0.322 . . . . 1.0 110.466 179.489 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.4 ' N ' ' CG2' ' A' ' 39' ' ' ILE . . . 78.52 -162.04 48.89 Favored Glycine 0 CA--C 1.529 0.953 0 N-CA-C 111.761 -0.535 . . . . 1.0 111.761 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -170.7 -167.82 31.6 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.202 -0.759 . . . . 1.0 111.202 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 92.3 mtm-85 -75.51 142.43 42.85 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.075 0.464 . . . . 1.0 111.404 -179.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 37.6 m-20 56.7 35.76 26.64 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.74 -0.664 . . . . 1.0 110.926 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.536 ' O ' ' N ' ' A' ' 46' ' ' GLU . . . -75.16 179.83 44.84 Favored Glycine 0 CA--C 1.528 0.866 0 N-CA-C 111.027 -0.829 . . . . 1.0 111.027 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_exo -42.97 82.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.473 0 C-N-CA 123.053 2.502 . . . . 1.0 112.473 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.58 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 12.0 tt0 -99.21 -36.78 0.24 Allowed Pre-proline 0 CA--C 1.538 0.489 0 CA-C-N 115.874 -0.603 . . . . 1.0 111.298 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 46' ' ' GLU . 70.4 Cg_endo -80.51 -35.5 0.58 Allowed 'Trans proline' 0 N--CA 1.494 1.514 0 C-N-CA 121.893 1.728 . . . . 1.0 112.537 -179.111 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.413 ' C ' ' O ' ' A' ' 47' ' ' PRO . 26.1 t 31.34 90.28 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.802 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 84.5 mtp180 -85.08 17.57 2.9 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.615 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 43.69 86.04 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.695 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -80.34 178.23 53.98 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 111.21 -0.756 . . . . 1.0 111.21 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.454 ' OD1' ' O ' ' A' ' 52' ' ' ASP . 47.1 p-10 -91.59 113.58 25.88 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.148 0.499 . . . . 1.0 111.191 -179.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 90.8 t90 -135.1 126.2 27.9 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.583 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -166.12 75.98 0.21 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 120.902 0.382 . . . . 1.0 110.937 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.4 tttt 51.07 83.06 0.05 Allowed 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.015 -0.539 . . . . 1.0 111.703 178.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -75.68 145.0 41.31 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.378 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 167.27 -167.93 40.16 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.424 ' C ' ' H ' ' A' ' 60' ' ' ILE . 21.2 tt -77.04 -26.82 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.898 0.38 . . . . 1.0 110.883 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.05 19.45 0.23 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.947 -0.57 . . . . 1.0 111.588 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.424 ' H ' ' C ' ' A' ' 58' ' ' ILE . 2.4 pp -81.06 -13.98 12.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.836 0.351 . . . . 1.0 110.896 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -63.24 -39.44 94.61 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.3 -179.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.064 -0.969 . . . . 1.0 110.829 -179.542 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.3 mtt . . . . . 0 N--CA 1.487 1.38 0 N-CA-C 108.323 -0.991 . . . . 1.0 108.323 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -144.98 139.43 27.49 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.965 0.412 . . . . 1.0 110.025 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -97.71 108.05 20.68 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.949 -179.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 62.9 ttp -90.65 -62.01 1.55 Allowed 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.87 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.479 ' HG1' ' N ' ' A' ' 6' ' ' GLU . 82.4 p -69.6 -37.13 76.79 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.0 0.429 . . . . 1.0 110.426 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.479 ' N ' ' HG1' ' A' ' 5' ' ' THR . 73.8 mm-40 -87.64 154.73 20.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.772 -0.649 . . . . 1.0 110.747 -179.406 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -68.25 148.52 50.69 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.573 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.7 m -64.26 135.16 55.98 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.495 -0.321 . . . . 1.0 110.161 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.65 171.44 14.93 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.773 -0.454 . . . . 1.0 109.773 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -136.27 134.29 37.86 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.438 -0.579 . . . . 1.0 109.438 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.568 ' CG ' ' H ' ' A' ' 12' ' ' LEU . 18.1 t0 -76.81 -146.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.608 -0.723 . . . . 1.0 111.895 -178.014 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.568 ' H ' ' CG ' ' A' ' 11' ' ' ASP . 4.2 mm? -110.08 99.02 37.64 Favored Pre-proline 0 CA--C 1.532 0.269 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.123 -179.364 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -50.52 109.25 0.28 Allowed 'Trans proline' 0 C--N 1.312 -1.354 0 C-N-CA 122.041 1.827 . . . . 1.0 111.928 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -77.55 173.06 14.78 Favored 'Trans proline' 0 C--N 1.313 -1.297 0 C-N-CA 122.497 2.131 . . . . 1.0 112.557 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -52.82 -33.57 49.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.583 -0.735 . . . . 1.0 110.228 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.37 -47.94 25.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.139 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.47 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 4.1 mm? -65.21 -40.53 94.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.073 0.463 . . . . 1.0 110.002 179.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -64.83 -36.43 84.31 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.785 -0.643 . . . . 1.0 109.524 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.69 -40.51 95.24 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.338 -0.616 . . . . 1.0 109.338 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.1 tp -61.59 -39.68 92.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.717 -0.674 . . . . 1.0 109.489 179.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.97 -35.47 81.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.591 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -66.68 -32.87 74.47 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 109.703 -0.48 . . . . 1.0 109.703 179.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.76 -24.97 53.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.109 -0.496 . . . . 1.0 109.769 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -60.7 -33.7 73.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.684 -0.689 . . . . 1.0 110.258 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -60.09 -39.3 85.65 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.215 -0.448 . . . . 1.0 109.986 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -96.36 111.18 23.36 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.844 -0.616 . . . . 1.0 111.245 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -43.3 99.13 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.479 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.0 mmt85 -59.03 -43.45 91.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.956 -178.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.8 tpp85 -60.59 -45.14 95.1 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.272 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.42 -37.28 68.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.893 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -63.84 -39.34 93.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.473 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.31 -37.36 85.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.786 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.0 mt -126.22 62.45 1.26 Allowed 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.84 0.352 . . . . 1.0 110.218 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.499 ' O ' ' C ' ' A' ' 35' ' ' LEU . 46.9 t0 -62.82 -45.74 91.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.889 -0.596 . . . . 1.0 111.283 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.499 ' C ' ' O ' ' A' ' 34' ' ' ASP . 0.3 OUTLIER -16.93 84.09 0.03 OUTLIER Pre-proline 0 N--CA 1.473 0.7 0 O-C-N 123.831 0.707 . . . . 1.0 112.107 -179.295 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.475 ' N ' ' O ' ' A' ' 34' ' ' ASP . 56.1 Cg_endo -77.58 -8.41 17.07 Favored 'Trans proline' 0 C--N 1.315 -1.23 0 C-N-CA 122.817 2.345 . . . . 1.0 112.491 -178.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.5 mttp 55.78 75.24 0.34 Allowed 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.167 -0.47 . . . . 1.0 111.83 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -144.69 165.57 27.68 Favored 'General case' 0 C--N 1.341 0.212 0 N-CA-C 109.855 -0.424 . . . . 1.0 109.855 179.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.418 HG22 HD13 ' A' ' 39' ' ' ILE . 96.2 mt -61.96 -19.33 21.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.881 0.372 . . . . 1.0 110.582 -179.202 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.65 161.02 23.32 Favored Glycine 0 CA--C 1.528 0.868 0 CA-C-N 115.832 -0.622 . . . . 1.0 111.909 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 170.7 -117.85 0.72 Allowed Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.197 -0.761 . . . . 1.0 111.197 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 44.4 mmm-85 -125.74 157.38 37.55 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.084 0.469 . . . . 1.0 111.506 -179.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 57.13 41.15 27.67 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.519 -0.764 . . . . 1.0 110.881 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -132.5 66.11 0.58 Allowed Glycine 0 N--CA 1.469 0.862 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -80.06 -98.02 0.01 OUTLIER 'Trans proline' 0 N--CA 1.497 1.702 0 C-N-CA 122.958 2.439 . . . . 1.0 112.452 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.444 ' OE1' ' O ' ' A' ' 48' ' ' VAL . 0.1 OUTLIER 71.07 65.24 0.41 Allowed Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.55 179.625 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -71.15 -31.95 13.82 Favored 'Trans proline' 0 N--CA 1.495 1.607 0 C-N-CA 122.192 1.928 . . . . 1.0 112.344 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.444 ' O ' ' OE1' ' A' ' 46' ' ' GLU . 38.6 t -108.21 107.01 21.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-O 120.903 0.383 . . . . 1.0 111.057 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.458 ' C ' ' H ' ' A' ' 51' ' ' GLY . 77.6 ttt180 -63.68 -41.64 98.12 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.843 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.439 ' CG ' ' O ' ' A' ' 50' ' ' PHE . 83.9 t80 58.06 5.88 0.44 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.526 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.458 ' H ' ' C ' ' A' ' 49' ' ' ARG . . . -85.73 -5.52 84.03 Favored Glycine 0 CA--C 1.531 1.074 0 N-CA-C 111.016 -0.834 . . . . 1.0 111.016 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 43.83 -98.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.642 0.238 . . . . 1.0 111.642 179.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 39.69 62.6 1.17 Allowed 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.85 0.357 . . . . 1.0 111.164 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -67.55 -37.77 83.17 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.029 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.4 tptt -157.32 -81.67 0.06 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 120.987 -0.285 . . . . 1.0 111.238 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp 47.21 92.38 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.86 0.362 . . . . 1.0 110.759 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 177.45 -53.31 0.1 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.126 -0.789 . . . . 1.0 111.126 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 37.8 pt -91.99 -9.12 10.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-O 120.78 0.324 . . . . 1.0 110.545 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.549 ' O ' ' N ' ' A' ' 61' ' ' ASP . . . -138.88 40.7 2.15 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.435 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.0 mt -41.86 87.78 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-O 121.184 0.516 . . . . 1.0 111.13 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.549 ' N ' ' O ' ' A' ' 59' ' ' ALA . 44.7 t0 -65.72 -39.31 91.05 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.701 -0.681 . . . . 1.0 111.584 -179.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 . . . . . 0 N--CA 1.471 0.591 0 CA-C-O 117.972 -1.014 . . . . 1.0 110.861 -179.723 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.578 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.457 0 N-CA-C 109.504 -0.554 . . . . 1.0 109.504 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 61.2 ttm-85 -61.81 -43.28 99.16 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.146 -0.686 . . . . 1.0 109.146 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.419 ' C ' ' SD ' ' A' ' 4' ' ' MET . 91.8 m-20 -86.08 176.94 7.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.696 -0.684 . . . . 1.0 110.685 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.419 ' SD ' ' C ' ' A' ' 3' ' ' ASP . 2.5 mpt? 62.64 3.6 1.18 Allowed 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.177 -179.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.8 t -93.93 0.55 56.17 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.993 0.425 . . . . 1.0 110.271 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -69.46 133.96 48.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.685 -0.689 . . . . 1.0 110.967 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -79.37 137.88 37.46 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.715 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 95.5 m -130.15 129.77 43.9 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 120.81 0.338 . . . . 1.0 110.506 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 88.6 mtm-85 -76.32 156.2 33.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.413 . . . . 1.0 110.109 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -52.25 133.15 34.34 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-O 121.09 0.471 . . . . 1.0 110.13 -179.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -105.3 -140.78 0.37 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.595 -0.729 . . . . 1.0 111.598 -178.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.506 ' O ' ' O ' ' A' ' 13' ' ' PRO . 9.7 mp -45.74 155.97 0.46 Allowed Pre-proline 0 C--O 1.233 0.213 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.522 -178.396 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.506 ' O ' ' O ' ' A' ' 12' ' ' LEU . 45.9 Cg_exo -45.55 -174.87 0.0 OUTLIER 'Trans proline' 0 N--CA 1.492 1.405 0 C-N-CA 122.178 1.919 . . . . 1.0 111.931 179.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.431 ' CD ' ' CB ' ' A' ' 13' ' ' PRO . 52.3 Cg_exo -56.36 -11.57 6.52 Favored 'Trans proline' 0 C--N 1.311 -1.409 0 C-N-CA 122.7 2.267 . . . . 1.0 111.906 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -53.21 -21.19 4.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.268 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.39 -37.34 86.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.756 -0.657 . . . . 1.0 110.399 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.4 mt -62.78 -42.69 99.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.086 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -64.97 -38.31 90.55 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.193 -0.669 . . . . 1.0 109.193 178.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.24 -45.25 89.0 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.363 -0.606 . . . . 1.0 109.363 178.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.8 tp -62.05 -39.88 93.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.51 -0.768 . . . . 1.0 109.486 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.87 -37.96 88.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.486 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.401 ' C ' ' N ' ' A' ' 24' ' ' GLU . 74.1 mm-40 -69.51 -35.36 75.44 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.69 -0.485 . . . . 1.0 109.69 178.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.79 -19.4 0.96 Allowed 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.011 -0.541 . . . . 1.0 109.747 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 22' ' ' GLU . 98.4 mt-10 -57.18 -31.98 65.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.759 -0.655 . . . . 1.0 110.178 179.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -61.84 -35.61 78.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.067 0.461 . . . . 1.0 110.009 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.588 ' NH1' ' HZ2' ' A' ' 55' ' ' LYS . 11.0 tpt180 -71.38 141.17 50.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.631 -0.713 . . . . 1.0 111.487 -178.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 93.3 mtm-85 -44.84 110.85 0.26 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.695 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -65.65 -32.55 74.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.883 -0.598 . . . . 1.0 110.983 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 -60.54 -33.22 72.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.454 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.76 -39.06 93.0 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.88 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.665 ' HZ3' ' HZ1' ' A' ' 55' ' ' LYS . 68.2 mttm -79.29 13.73 1.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.105 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 43.04 41.68 2.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.479 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.4 tp -152.98 104.59 2.85 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.298 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -75.86 146.59 39.71 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.767 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 32.0 mt -130.86 77.94 74.52 Favored Pre-proline 0 N--CA 1.47 0.553 0 CA-C-N 116.582 -0.281 . . . . 1.0 111.016 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -54.21 -37.23 87.77 Favored 'Trans proline' 0 N--CA 1.497 1.695 0 C-N-CA 122.745 2.297 . . . . 1.0 112.432 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -76.78 142.85 40.21 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.679 0.276 . . . . 1.0 111.166 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -159.99 -31.18 0.06 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.49 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 39.6 pt -77.33 -18.33 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-O 120.917 0.389 . . . . 1.0 110.581 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -73.46 72.0 1.24 Allowed Glycine 0 CA--C 1.528 0.885 0 CA-C-N 116.043 -0.526 . . . . 1.0 111.915 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.35 -33.52 85.18 Favored Glycine 0 CA--C 1.533 1.194 0 N-CA-C 111.821 -0.512 . . . . 1.0 111.821 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 81.0 mtp85 -66.07 156.91 32.48 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.062 0.458 . . . . 1.0 111.466 -178.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -148.5 172.74 13.99 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.702 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.41 ' H ' ' CD ' ' A' ' 45' ' ' PRO . . . -151.81 -54.18 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.056 -0.818 . . . . 1.0 111.056 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.41 ' CD ' ' H ' ' A' ' 44' ' ' GLY . 51.5 Cg_exo -58.54 141.15 97.12 Favored 'Trans proline' 0 N--CA 1.499 1.82 0 C-N-CA 122.789 2.326 . . . . 1.0 112.455 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.432 ' CB ' ' CD ' ' A' ' 47' ' ' PRO . 12.0 mt-10 -90.3 -64.28 0.18 Allowed Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 115.744 -0.662 . . . . 1.0 111.206 -179.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.432 ' CD ' ' CB ' ' A' ' 46' ' ' GLU . 31.8 Cg_endo -61.34 145.18 98.57 Favored 'Trans proline' 0 N--CA 1.499 1.851 0 C-N-CA 122.239 1.959 . . . . 1.0 111.902 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 15.8 m -124.64 128.9 73.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-O 121.032 0.444 . . . . 1.0 110.751 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 79.3 mmt-85 -81.41 -15.47 55.07 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.854 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -110.32 117.26 33.15 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.698 -0.482 . . . . 1.0 109.698 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.45 163.26 21.76 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.021 -0.831 . . . . 1.0 111.021 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 33.4 p-10 -95.08 1.98 55.1 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 111.505 0.187 . . . . 1.0 111.505 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.534 ' O ' ' N ' ' A' ' 55' ' ' LYS . 55.3 t-105 41.14 46.27 2.56 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.505 0.193 . . . . 1.0 111.192 179.46 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 55.81 -78.21 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.455 -0.339 . . . . 1.0 111.096 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.665 ' HZ1' ' HZ3' ' A' ' 31' ' ' LYS . 85.3 tttt 59.62 75.43 0.4 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.144 -0.48 . . . . 1.0 111.56 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 39.69 -108.42 0.08 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.944 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.43 -48.37 1.03 Allowed Glycine 0 N--CA 1.466 0.678 0 N-CA-C 111.013 -0.835 . . . . 1.0 111.013 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.468 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 70.2 mt -96.38 70.73 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-O 120.887 0.375 . . . . 1.0 110.128 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' A' ' 58' ' ' ILE . . . 162.62 -21.47 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.41 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 20.2 tt -74.31 126.86 35.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.138 0.494 . . . . 1.0 111.153 -179.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.438 ' O ' ' CG ' ' A' ' 62' ' ' PHE . 90.9 m-20 56.51 -88.6 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.816 -0.629 . . . . 1.0 111.663 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.438 ' CG ' ' O ' ' A' ' 61' ' ' ASP . 91.4 m-85 . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 117.963 -1.018 . . . . 1.0 110.617 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.9 mtp . . . . . 0 N--CA 1.488 1.471 0 N-CA-C 108.387 -0.968 . . . . 1.0 108.387 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 86.5 mtm-85 -90.7 88.95 7.3 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 109.412 -0.588 . . . . 1.0 109.412 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -62.54 -47.05 85.58 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 115.428 -0.806 . . . . 1.0 111.268 -179.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 47.7 ttp -161.39 155.7 22.73 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 110.281 -0.266 . . . . 1.0 110.281 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.25 125.32 28.96 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.975 0.417 . . . . 1.0 110.329 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -141.58 135.23 29.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.34 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -122.09 -58.46 1.72 Allowed 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.832 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.412 HG21 ' H ' ' A' ' 10' ' ' LYS . 17.9 m -116.68 122.6 45.02 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 109.932 -0.396 . . . . 1.0 109.932 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -67.99 -25.64 65.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.539 0.685 . . . . 1.0 109.37 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.412 ' H ' HG21 ' A' ' 8' ' ' THR . 68.8 mttm 52.4 -124.85 2.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.733 -1.121 . . . . 1.0 110.408 -179.217 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -85.77 170.77 12.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.158 0.504 . . . . 1.0 111.983 -178.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.53 ' N ' ' CD2' ' A' ' 12' ' ' LEU . 3.0 mm? -58.04 146.71 67.88 Favored Pre-proline 0 CA--C 1.532 0.263 0 CA-C-N 115.433 -0.803 . . . . 1.0 110.777 -179.129 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.531 ' O ' ' N ' ' A' ' 15' ' ' GLU . 28.8 Cg_endo -65.73 163.81 29.07 Favored 'Trans proline' 0 N--CA 1.49 1.307 0 C-N-CA 121.925 1.75 . . . . 1.0 111.639 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_exo -38.91 85.68 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.452 0 C-N-CA 122.622 2.215 . . . . 1.0 112.508 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 13' ' ' PRO . 22.5 pt-20 -66.35 -37.33 85.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.79 -0.641 . . . . 1.0 110.136 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.88 -30.3 71.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.585 -0.734 . . . . 1.0 110.092 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 46.7 tp -62.95 -46.18 88.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.043 -0.526 . . . . 1.0 109.941 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.408 ' C ' ' N ' ' A' ' 20' ' ' LEU . 75.2 ttt180 -65.21 -35.25 80.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.86 -0.609 . . . . 1.0 109.434 179.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.06 -22.65 0.96 Allowed 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.082 -0.71 . . . . 1.0 109.082 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.451 ' CD2' HH21 ' A' ' 28' ' ' ARG . 62.3 tp -60.82 -37.9 83.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.331 -0.849 . . . . 1.0 109.276 179.287 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.31 -23.38 5.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.655 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -62.79 -29.17 70.51 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.295 -0.632 . . . . 1.0 109.295 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.96 -21.12 10.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.902 -0.59 . . . . 1.0 109.686 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -59.15 -34.03 71.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.811 -0.631 . . . . 1.0 110.342 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -51.6 -19.65 1.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 1.0 109.934 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.524 ' O ' ' N ' ' A' ' 28' ' ' ARG . 11.3 ptp85 -133.83 167.3 20.81 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.938 -0.573 . . . . 1.0 111.09 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -49.45 85.06 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.033 0.444 . . . . 1.0 110.976 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.524 ' N ' ' O ' ' A' ' 26' ' ' ARG . 73.4 ttt180 -71.9 -20.73 61.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.931 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 -54.72 -43.37 72.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.5 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.08 -40.31 78.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.659 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -57.14 -47.19 81.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.251 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.506 ' O ' ' CB ' ' A' ' 33' ' ' LEU . . . -68.1 -56.46 8.76 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.358 179.614 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.551 ' O ' ' N ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER 87.07 74.19 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.093 0.473 . . . . 1.0 110.587 179.199 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 33' ' ' LEU . 66.0 t0 36.56 -89.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.912 -0.586 . . . . 1.0 111.33 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.551 ' N ' ' O ' ' A' ' 33' ' ' LEU . 1.9 tt 61.69 72.85 0.62 Allowed Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 116.316 -0.402 . . . . 1.0 111.117 179.031 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -72.22 152.91 56.49 Favored 'Trans proline' 0 N--CA 1.493 1.452 0 C-N-CA 122.274 1.983 . . . . 1.0 112.101 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -93.18 155.04 17.7 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.683 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -136.93 -30.25 0.88 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 116.498 -0.319 . . . . 1.0 110.651 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.404 HD13 HG23 ' A' ' 39' ' ' ILE . 64.4 mt -63.63 -44.91 98.69 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 CA-C-O 120.807 0.337 . . . . 1.0 110.355 179.358 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.79 -35.82 92.37 Favored Glycine 0 CA--C 1.531 1.07 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.965 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -94.78 138.46 14.0 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.444 -0.662 . . . . 1.0 111.444 -179.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -66.19 -23.53 66.46 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 111.565 0.209 . . . . 1.0 111.565 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.8 m120 58.11 -175.89 0.08 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.883 0.373 . . . . 1.0 111.037 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -135.3 64.87 0.58 Allowed Glycine 0 CA--C 1.529 0.955 0 N-CA-C 110.955 -0.858 . . . . 1.0 110.955 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -76.18 155.99 37.71 Favored 'Trans proline' 0 N--CA 1.495 1.601 0 C-N-CA 123.019 2.48 . . . . 1.0 112.471 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -148.41 74.42 10.64 Favored Pre-proline 0 N--CA 1.465 0.276 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.731 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -59.98 145.58 98.02 Favored 'Trans proline' 0 N--CA 1.498 1.741 0 C-N-CA 122.831 2.354 . . . . 1.0 111.704 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 68.8 t -95.25 130.4 44.06 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-N 116.513 -0.312 . . . . 1.0 110.886 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -92.49 66.81 4.64 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.872 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 41.57 62.1 1.65 Allowed 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.868 -0.605 . . . . 1.0 110.715 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -64.95 -38.93 96.09 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.407 -0.677 . . . . 1.0 111.407 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.409 ' O ' ' OD1' ' A' ' 52' ' ' ASP . 49.5 p-10 -90.65 93.8 9.42 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.733 0.301 . . . . 1.0 111.425 -179.253 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 73.8 t-105 -90.59 84.5 5.93 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.749 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 38.22 82.13 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.118 -0.492 . . . . 1.0 111.076 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -112.46 125.52 54.32 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.407 -0.361 . . . . 1.0 110.828 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.73 -41.41 98.06 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.937 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 81.28 105.0 0.34 Allowed Glycine 0 CA--C 1.527 0.816 0 N-CA-C 111.195 -0.762 . . . . 1.0 111.195 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 8.3 mm 58.18 39.35 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.102 0.477 . . . . 1.0 110.324 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -170.59 38.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.29 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' A' ' 62' ' ' PHE . 41.7 pt -69.13 -24.99 28.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 116.427 -0.351 . . . . 1.0 111.173 -179.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 67.3 t0 44.77 -88.22 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 116.322 -0.399 . . . . 1.0 111.586 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.485 ' N ' ' O ' ' A' ' 60' ' ' ILE . 91.4 t80 . . . . . 0 C--O 1.218 -0.6 0 CA-C-O 118.046 -0.978 . . . . 1.0 110.97 -179.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.1 ptp . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.56 -0.533 . . . . 1.0 109.56 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 23.1 mmt85 -64.68 -39.12 93.12 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.084 -0.709 . . . . 1.0 109.084 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 3' ' ' ASP . 48.1 t0 51.52 35.64 14.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.481 -0.782 . . . . 1.0 111.222 178.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.449 ' C ' ' SD ' ' A' ' 4' ' ' MET . 0.0 OUTLIER -132.48 114.86 14.8 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.475 -0.33 . . . . 1.0 110.199 179.411 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.441 ' OG1' ' SD ' ' A' ' 4' ' ' MET . 20.4 m 40.8 77.42 0.06 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.965 0.412 . . . . 1.0 110.613 -179.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -80.28 135.4 36.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.888 -0.596 . . . . 1.0 110.722 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -116.25 130.72 56.93 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.576 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.6 t -146.72 160.4 42.28 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.081 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.574 ' C ' ' H ' ' A' ' 11' ' ' ASP . 34.9 ttm180 60.16 161.31 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.382 -0.599 . . . . 1.0 109.382 -179.177 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.519 ' O ' ' N ' ' A' ' 12' ' ' LEU . 48.7 mtpt 68.58 -37.77 0.36 Allowed 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.564 0.54 . . . . 1.0 110.076 -179.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.574 ' H ' ' C ' ' A' ' 9' ' ' ARG . 1.0 OUTLIER 34.02 -88.04 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.809 178.48 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.519 ' N ' ' O ' ' A' ' 10' ' ' LYS . 13.7 mt -84.49 145.23 44.52 Favored Pre-proline 0 CA--C 1.536 0.416 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.6 -179.494 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -42.1 155.42 0.09 OUTLIER 'Trans proline' 0 N--CA 1.491 1.37 0 C-N-CA 121.936 1.757 . . . . 1.0 112.049 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -71.5 -14.32 30.63 Favored 'Trans proline' 0 N--CA 1.496 1.674 0 C-N-CA 122.791 2.327 . . . . 1.0 111.884 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -58.69 -37.1 75.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.07 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.12 -39.14 75.63 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.252 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.1 tp -63.27 -45.93 89.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.967 -0.56 . . . . 1.0 109.721 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -64.85 -36.34 84.03 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.834 -0.621 . . . . 1.0 109.716 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.71 -37.08 39.4 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.324 -0.621 . . . . 1.0 109.324 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.2 tp -62.68 -40.74 98.07 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.625 -0.716 . . . . 1.0 109.42 179.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.28 -37.25 85.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.774 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -65.18 -43.39 91.84 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.5 -0.556 . . . . 1.0 109.5 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.3 -23.43 66.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.982 -0.554 . . . . 1.0 109.85 178.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -67.49 -53.24 30.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.474 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -70.12 -36.07 74.56 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.092 0.473 . . . . 1.0 110.348 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 37.3 -117.06 0.15 Allowed 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 115.521 -0.763 . . . . 1.0 111.521 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.8 ptp85 -176.92 38.92 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.886 0.374 . . . . 1.0 110.496 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 79.4 mtp85 -66.6 -39.01 88.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.37 -40.33 96.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.779 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.2 -36.45 79.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.786 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -64.09 -39.97 95.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.357 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.91 16.24 9.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.602 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 43.5 tp -100.19 -35.26 9.71 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.888 0.375 . . . . 1.0 110.475 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 43.78 74.4 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.024 -0.534 . . . . 1.0 111.128 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.4 tp -154.76 58.52 2.05 Favored Pre-proline 0 N--CA 1.464 0.261 0 CA-C-N 116.552 -0.294 . . . . 1.0 111.005 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.82 150.86 83.23 Favored 'Trans proline' 0 N--CA 1.498 1.773 0 C-N-CA 122.777 2.318 . . . . 1.0 112.074 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.442 ' NZ ' ' O ' ' A' ' 39' ' ' ILE . 20.9 tptp -67.41 134.54 51.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.91 -179.431 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -145.65 -39.02 0.24 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.481 -0.327 . . . . 1.0 110.69 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.442 ' O ' ' NZ ' ' A' ' 37' ' ' LYS . 19.4 tt -126.19 132.31 70.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 CA-C-O 120.836 0.35 . . . . 1.0 110.311 179.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -163.37 169.93 38.61 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.306 -0.718 . . . . 1.0 111.306 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.4 37.29 21.3 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 111.6 -0.6 . . . . 1.0 111.6 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -62.37 133.19 54.72 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.949 0.404 . . . . 1.0 111.206 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -103.13 72.49 1.17 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.868 -0.605 . . . . 1.0 110.739 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.426 ' O ' ' OE2' ' A' ' 46' ' ' GLU . . . -52.53 172.8 0.34 Allowed Glycine 0 CA--C 1.528 0.864 0 N-CA-C 111.155 -0.778 . . . . 1.0 111.155 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -78.78 114.52 3.45 Favored 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 122.841 2.361 . . . . 1.0 112.143 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.63 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 10.1 mm-40 -91.07 -34.93 0.37 Allowed Pre-proline 0 CA--C 1.539 0.534 0 CA-C-N 115.872 -0.604 . . . . 1.0 111.483 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 46' ' ' GLU . 34.7 Cg_exo -58.62 146.96 89.62 Favored 'Trans proline' 0 N--CA 1.501 1.914 0 C-N-CA 122.429 2.086 . . . . 1.0 112.03 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 88.7 t -90.17 132.08 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.989 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -83.0 47.34 1.21 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.994 -0.548 . . . . 1.0 111.063 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -60.45 -45.05 95.11 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.56 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.435 ' O ' ' OD1' ' A' ' 52' ' ' ASP . . . -70.63 129.45 19.29 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.774 -0.93 . . . . 1.0 110.774 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 51' ' ' GLY . 95.7 m-20 -140.0 -166.21 2.05 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.778 0.323 . . . . 1.0 110.857 -179.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 3.1 m0 -89.13 139.96 29.94 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.857 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 55' ' ' LYS . 43.9 tp10 -161.73 -30.8 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.409 -0.36 . . . . 1.0 110.945 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.479 ' CG ' ' H ' ' A' ' 56' ' ' LYS . 29.3 tptt 33.49 -141.1 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.27 -0.423 . . . . 1.0 111.622 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.479 ' H ' ' CG ' ' A' ' 55' ' ' LYS . 26.5 pttm -149.0 152.79 36.92 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 120.848 0.356 . . . . 1.0 110.674 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 59' ' ' ALA . . . 87.64 120.22 1.45 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.645 -0.982 . . . . 1.0 110.645 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.42 ' O ' ' CG1' ' A' ' 58' ' ' ILE . 6.0 tt 37.83 25.34 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 121.037 0.446 . . . . 1.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 57' ' ' GLY . . . -135.28 3.33 3.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.766 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 94.4 mt -64.73 -43.93 96.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.966 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -64.31 -41.73 96.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.42 -0.355 . . . . 1.0 111.572 -179.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 118.072 -0.966 . . . . 1.0 110.689 -179.58 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 121.036 0.445 . . . . 1.0 109.958 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.75 -38.75 58.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.815 -0.63 . . . . 1.0 110.279 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.6 tp -63.47 -44.96 92.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.949 -0.568 . . . . 1.0 109.802 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.0 tpt85 -65.37 -36.15 83.13 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.311 -0.625 . . . . 1.0 109.311 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.27 -41.9 80.56 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.228 -0.656 . . . . 1.0 109.228 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 98.6 mt -62.87 -41.07 99.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.813 -0.63 . . . . 1.0 109.62 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.91 -39.3 93.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.892 -0.595 . . . . 1.0 110.604 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -67.65 -37.84 82.96 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 109.512 -0.551 . . . . 1.0 109.512 179.131 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.29 -31.33 72.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.87 -0.605 . . . . 1.0 109.8 179.045 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 . . . . . 0 C--O 1.233 0.23 0 CA-C-N 115.654 -0.703 . . . . 1.0 110.474 179.851 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 . . . . . 0 CA--C 1.523 -0.074 0 CA-C-O 121.042 0.449 . . . . 1.0 109.912 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.48 -24.85 29.25 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.149 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 59.0 tp -62.69 -45.92 90.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.243 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.98 -28.37 60.53 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.451 -0.574 . . . . 1.0 109.451 179.418 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.25 -43.07 99.05 Favored 'General case' 0 C--O 1.231 0.099 0 N-CA-C 109.351 -0.611 . . . . 1.0 109.351 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 70.4 mt -64.63 -38.15 90.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.622 -0.717 . . . . 1.0 109.558 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.72 -37.24 85.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.899 -0.591 . . . . 1.0 110.359 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.6 -38.57 84.17 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 109.524 -0.547 . . . . 1.0 109.524 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.95 -34.39 77.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.894 -0.594 . . . . 1.0 109.74 178.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 115.692 -0.685 . . . . 1.0 110.428 179.297 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.865 0.364 . . . . 1.0 110.035 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.62 -48.55 79.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.386 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 49.3 mt -63.69 -42.2 98.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.924 -0.58 . . . . 1.0 109.959 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -65.99 -34.64 78.57 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.576 -0.738 . . . . 1.0 109.348 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.24 -40.09 89.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.721 -0.672 . . . . 1.0 109.376 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.3 mt -64.05 -40.34 96.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.708 -0.678 . . . . 1.0 109.684 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.24 -39.48 94.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.295 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -67.77 -32.79 73.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.182 -0.463 . . . . 1.0 109.94 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.26 -36.06 78.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.812 -0.631 . . . . 1.0 109.686 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 115.801 -0.636 . . . . 1.0 109.997 179.673 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 . . . . . 0 C--O 1.23 0.07 0 N-CA-C 109.808 -0.442 . . . . 1.0 109.808 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.04 -39.0 84.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.756 -0.656 . . . . 1.0 110.372 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.8 mt -63.39 -42.98 98.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 1.0 109.946 179.221 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -66.8 -38.69 86.99 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.981 -0.554 . . . . 1.0 109.606 178.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.14 -38.04 84.97 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 109.393 -0.595 . . . . 1.0 109.393 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.6 tp -61.95 -42.11 98.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.755 -0.657 . . . . 1.0 109.732 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.44 -35.38 80.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.782 -0.644 . . . . 1.0 110.441 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -65.76 -32.26 73.69 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 109.598 -0.519 . . . . 1.0 109.598 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.57 -33.1 69.56 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.839 -0.619 . . . . 1.0 109.725 178.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 . . . . . 0 CA--C 1.53 0.185 0 CA-C-N 115.661 -0.7 . . . . 1.0 110.481 179.515 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 . . . . . 0 C--O 1.233 0.186 0 CA-C-O 121.077 0.465 . . . . 1.0 109.812 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.27 -40.75 97.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.764 -0.653 . . . . 1.0 110.234 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.543 HD22 ' N ' ' A' ' 17' ' ' LEU . 4.1 mm? -63.64 -42.12 98.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.984 -0.553 . . . . 1.0 109.853 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -67.18 -36.84 82.63 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.849 -0.614 . . . . 1.0 109.654 179.1 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.57 -38.81 78.67 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.262 -0.644 . . . . 1.0 109.262 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.569 ' O ' HD13 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -62.0 -43.09 99.57 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.244 -0.65 . . . . 1.0 109.244 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.21 -38.06 89.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.767 -0.651 . . . . 1.0 110.475 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -67.35 -34.24 76.91 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 109.664 -0.495 . . . . 1.0 109.664 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.91 -36.5 83.57 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.956 -0.566 . . . . 1.0 109.842 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.784 -0.644 . . . . 1.0 110.174 179.736 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 . . . . . 0 C--O 1.233 0.192 0 CA-C-O 121.099 0.476 . . . . 1.0 109.735 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.09 -23.06 31.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.747 -0.66 . . . . 1.0 110.138 179.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.4 ' HG ' ' N ' ' A' ' 18' ' ' ARG . 2.9 pp -62.06 -36.92 83.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.871 -0.604 . . . . 1.0 109.57 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.4 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 77.7 ttt-85 -77.55 -31.18 53.13 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 115.947 -0.569 . . . . 1.0 109.893 179.617 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.71 -22.81 2.26 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.176 -0.676 . . . . 1.0 109.176 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 88.3 mt -61.3 -25.46 67.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.339 -0.846 . . . . 1.0 109.606 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.04 -35.21 77.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.835 -0.62 . . . . 1.0 110.416 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.88 -32.5 74.05 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.603 -0.517 . . . . 1.0 109.603 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.7 -36.19 83.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.941 -0.572 . . . . 1.0 109.838 179.002 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 . . . . . 0 C--N 1.331 -0.205 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.228 179.907 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 120.835 0.35 . . . . 1.0 110.228 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.37 -47.94 25.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.139 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.477 HD22 ' N ' ' A' ' 17' ' ' LEU . 4.1 mm? -65.21 -40.53 94.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.073 0.463 . . . . 1.0 110.002 179.345 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -64.83 -36.43 84.31 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.785 -0.643 . . . . 1.0 109.524 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.69 -40.51 95.24 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.338 -0.616 . . . . 1.0 109.338 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.1 tp -61.59 -39.68 92.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.717 -0.674 . . . . 1.0 109.489 179.34 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.97 -35.47 81.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.591 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -66.68 -32.87 74.47 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 109.703 -0.48 . . . . 1.0 109.703 179.3 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.76 -24.97 53.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.109 -0.496 . . . . 1.0 109.769 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 115.684 -0.689 . . . . 1.0 110.258 179.777 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 . . . . . 0 N--CA 1.456 -0.158 0 CA-C-O 120.984 0.421 . . . . 1.0 110.268 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.39 -37.34 86.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.756 -0.657 . . . . 1.0 110.399 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.4 mt -62.78 -42.69 99.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.086 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -64.97 -38.31 90.55 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.193 -0.669 . . . . 1.0 109.193 178.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.24 -45.25 89.0 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.363 -0.606 . . . . 1.0 109.363 178.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.8 tp -62.05 -39.88 93.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.51 -0.768 . . . . 1.0 109.486 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.87 -37.96 88.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.486 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.401 ' C ' ' N ' ' A' ' 24' ' ' GLU . 74.1 mm-40 -69.51 -35.36 75.44 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.69 -0.485 . . . . 1.0 109.69 178.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.79 -19.4 0.96 Allowed 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.011 -0.541 . . . . 1.0 109.747 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 22' ' ' GLU . 98.4 mt-10 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 115.759 -0.655 . . . . 1.0 110.178 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 . . . . . 0 C--O 1.232 0.172 0 CA-C-O 121.051 0.453 . . . . 1.0 110.136 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.418 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -63.88 -30.3 71.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.585 -0.734 . . . . 1.0 110.092 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 46.7 tp -62.95 -46.18 88.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.043 -0.526 . . . . 1.0 109.941 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.408 ' C ' ' N ' ' A' ' 20' ' ' LEU . 75.2 ttt180 -65.21 -35.25 80.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.86 -0.609 . . . . 1.0 109.434 179.22 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 16' ' ' ALA . . . -49.06 -22.65 0.96 Allowed 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.082 -0.71 . . . . 1.0 109.082 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.408 ' N ' ' C ' ' A' ' 18' ' ' ARG . 62.3 tp -60.82 -37.9 83.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.331 -0.849 . . . . 1.0 109.276 179.287 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.31 -23.38 5.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.655 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -62.79 -29.17 70.51 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.295 -0.632 . . . . 1.0 109.295 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.96 -21.12 10.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.902 -0.59 . . . . 1.0 109.686 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 . . . . . 0 C--N 1.331 -0.22 0 CA-C-N 115.811 -0.631 . . . . 1.0 110.342 179.759 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.955 0.407 . . . . 1.0 110.07 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.12 -39.14 75.63 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.252 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.1 tp -63.27 -45.93 89.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.967 -0.56 . . . . 1.0 109.721 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -64.85 -36.34 84.03 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.834 -0.621 . . . . 1.0 109.716 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.71 -37.08 39.4 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.324 -0.621 . . . . 1.0 109.324 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.2 tp -62.68 -40.74 98.07 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.625 -0.716 . . . . 1.0 109.42 179.055 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.28 -37.25 85.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.774 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -65.18 -43.39 91.84 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.5 -0.556 . . . . 1.0 109.5 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.3 -23.43 66.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.982 -0.554 . . . . 1.0 109.85 178.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.474 179.8 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 N--CA 1.488 1.463 0 N-CA-C 108.331 -0.989 . . . . 1.0 108.331 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -147.23 144.61 29.01 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 109.808 -0.442 . . . . 1.0 109.808 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -138.27 -35.47 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.624 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 97.9 mmm -127.83 150.88 49.64 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.517 -0.31 . . . . 1.0 110.496 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.437 HG23 ' H ' ' A' ' 5' ' ' THR . 4.7 p -61.91 -48.34 80.89 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.114 0.483 . . . . 1.0 110.554 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 38.34 -121.11 0.25 Allowed 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.549 -0.751 . . . . 1.0 111.355 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -67.88 131.47 45.58 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.596 0.236 . . . . 1.0 110.723 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 92.0 m -123.54 129.15 50.77 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.859 0.361 . . . . 1.0 110.09 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -74.0 158.47 34.3 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.455 -0.572 . . . . 1.0 109.455 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -127.97 138.87 52.78 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.514 -0.55 . . . . 1.0 109.514 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 39.42 71.8 0.16 Allowed 'General case' 0 C--O 1.236 0.342 0 CA-C-N 115.572 -0.74 . . . . 1.0 111.76 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.427 ' HG ' ' H ' ' A' ' 12' ' ' LEU . 11.9 mt -50.71 146.55 9.62 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 115.468 -0.787 . . . . 1.0 110.553 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -67.19 162.45 38.42 Favored 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 122.14 1.893 . . . . 1.0 111.917 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -74.91 46.61 1.55 Allowed 'Trans proline' 0 N--CA 1.492 1.42 0 C-N-CA 122.477 2.118 . . . . 1.0 111.852 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -66.42 -44.9 81.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.974 -0.557 . . . . 1.0 109.958 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.75 -38.75 58.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.815 -0.63 . . . . 1.0 110.279 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.6 tp -63.47 -44.96 92.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.949 -0.568 . . . . 1.0 109.802 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.0 tpt85 -65.37 -36.15 83.13 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.311 -0.625 . . . . 1.0 109.311 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.27 -41.9 80.56 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.228 -0.656 . . . . 1.0 109.228 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 98.6 mt -62.87 -41.07 99.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.813 -0.63 . . . . 1.0 109.62 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.91 -39.3 93.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.892 -0.595 . . . . 1.0 110.604 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -67.65 -37.84 82.96 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 109.512 -0.551 . . . . 1.0 109.512 179.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' A' ' 26' ' ' ARG . . . -64.29 -31.33 72.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.87 -0.605 . . . . 1.0 109.8 179.045 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.466 ' C ' ' N ' ' A' ' 26' ' ' ARG . 84.0 tt0 -69.39 -38.59 78.07 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.654 -0.703 . . . . 1.0 110.474 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -47.77 -16.8 0.08 Allowed 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.03 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.466 ' N ' ' C ' ' A' ' 24' ' ' GLU . 52.9 ptt85 -142.44 147.23 35.79 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.916 -0.584 . . . . 1.0 111.113 -179.63 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 88.6 mtm-85 -143.43 153.79 43.02 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 116.064 -0.517 . . . . 1.0 110.198 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -60.67 -42.5 97.17 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.077 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -63.6 -35.66 81.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.923 0.392 . . . . 1.0 110.438 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.59 -35.89 82.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.578 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 26.6 mmtp -67.82 -3.06 8.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.457 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 31' ' ' LYS . . . 75.02 53.84 0.07 Allowed 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.474 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 58.7 tp -151.4 86.23 1.34 Allowed 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.772 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.417 ' O ' ' CB ' ' A' ' 35' ' ' LEU . 67.6 t0 -63.74 -39.12 93.51 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.148 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.417 ' CB ' ' O ' ' A' ' 34' ' ' ASP . 2.9 tp 77.45 57.2 0.2 Allowed Pre-proline 0 CA--C 1.532 0.287 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.398 179.277 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -67.01 -17.92 51.51 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.389 2.06 . . . . 1.0 112.509 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -61.43 136.36 58.0 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 120.733 0.302 . . . . 1.0 111.257 -179.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -159.99 -40.45 0.05 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.519 -0.31 . . . . 1.0 110.525 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 42.9 pt -69.69 -25.44 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 120.88 0.372 . . . . 1.0 110.604 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.95 175.18 46.53 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 111.645 -0.582 . . . . 1.0 111.645 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -163.47 72.43 0.19 Allowed Glycine 0 CA--C 1.533 1.173 0 N-CA-C 111.651 -0.579 . . . . 1.0 111.651 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 79.6 mtp85 -77.28 148.26 35.83 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.128 0.489 . . . . 1.0 111.664 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -72.35 139.68 48.04 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.926 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -123.35 -162.73 11.57 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 110.805 -0.918 . . . . 1.0 110.805 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -58.07 145.01 93.87 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 123.05 2.5 . . . . 1.0 112.846 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -161.7 80.71 1.97 Allowed Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.982 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -60.0 145.89 97.28 Favored 'Trans proline' 0 N--CA 1.498 1.776 0 C-N-CA 122.54 2.16 . . . . 1.0 111.997 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.451 HG12 ' N ' ' A' ' 49' ' ' ARG . 85.5 t -56.26 157.05 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-N 116.066 -0.516 . . . . 1.0 111.528 -179.035 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.451 ' N ' HG12 ' A' ' 48' ' ' VAL . 84.9 mtt85 -76.24 65.5 2.2 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.964 -179.198 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -107.0 142.08 37.19 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.956 -0.566 . . . . 1.0 109.886 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -158.95 159.91 30.71 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.863 -0.895 . . . . 1.0 110.863 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.454 ' OD1' ' O ' ' A' ' 52' ' ' ASP . 47.8 p-10 -147.82 103.65 3.52 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.909 0.385 . . . . 1.0 111.242 -179.513 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 4.1 m-90 -108.24 136.59 47.64 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.341 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -134.25 55.78 1.88 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.267 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.64 -43.94 95.29 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.909 -0.587 . . . . 1.0 112.053 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.9 pttm -58.19 137.97 56.6 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.824 0.345 . . . . 1.0 110.834 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.53 ' O ' HG22 ' A' ' 60' ' ' ILE . . . 162.39 -160.43 32.65 Favored Glycine 0 CA--C 1.527 0.781 0 N-CA-C 110.981 -0.848 . . . . 1.0 110.981 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.72 -42.88 96.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.964 0.411 . . . . 1.0 110.763 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.99 -10.37 59.62 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.02 -0.536 . . . . 1.0 111.233 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.592 HG23 ' O ' ' A' ' 60' ' ' ILE . 20.6 tt -39.55 109.8 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-O 121.263 0.554 . . . . 1.0 111.165 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -154.79 176.01 13.0 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.721 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 84.6 t80 . . . . . 0 C--O 1.222 -0.369 0 CA-C-O 117.963 -1.018 . . . . 1.0 111.063 179.877 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.3 ttp . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.263 -0.643 . . . . 1.0 109.263 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 86.4 mtm-85 -86.0 133.83 33.89 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.611 -0.515 . . . . 1.0 109.611 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.53 ' OD1' ' N ' ' A' ' 4' ' ' MET . 10.8 t70 -92.02 165.75 13.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.002 -0.545 . . . . 1.0 111.083 -178.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.53 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 28.2 ttt -87.77 -99.82 0.08 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.457 -0.338 . . . . 1.0 111.295 -179.259 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.2 p -62.73 -50.73 69.92 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.015 0.436 . . . . 1.0 110.691 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -65.64 141.77 58.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.605 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -101.33 111.64 23.93 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.425 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 35.6 m -90.44 129.81 36.58 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 109.948 -0.39 . . . . 1.0 109.948 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -138.17 -78.2 0.37 Allowed 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 109.41 -0.589 . . . . 1.0 109.41 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -87.34 -79.72 0.27 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.087 -0.506 . . . . 1.0 109.654 179.262 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -161.36 -91.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.663 -0.415 . . . . 1.0 111.136 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.3 mt -75.6 147.25 81.49 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.562 -179.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -64.24 140.64 71.91 Favored 'Trans proline' 0 N--CA 1.49 1.276 0 C-N-CA 121.901 1.734 . . . . 1.0 111.959 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -76.08 8.89 2.62 Favored 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 122.47 2.114 . . . . 1.0 111.731 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -66.2 -39.01 89.35 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.153 -0.476 . . . . 1.0 109.912 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.48 -24.85 29.25 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.149 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 59.0 tp -62.69 -45.92 90.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.243 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.98 -28.37 60.53 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.451 -0.574 . . . . 1.0 109.451 179.418 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.25 -43.07 99.05 Favored 'General case' 0 C--O 1.231 0.099 0 N-CA-C 109.351 -0.611 . . . . 1.0 109.351 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 70.4 mt -64.63 -38.15 90.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.622 -0.717 . . . . 1.0 109.558 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.72 -37.24 85.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.899 -0.591 . . . . 1.0 110.359 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.6 -38.57 84.17 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 109.524 -0.547 . . . . 1.0 109.524 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.95 -34.39 77.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.894 -0.594 . . . . 1.0 109.74 178.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -72.95 -37.27 67.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.692 -0.685 . . . . 1.0 110.428 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -82.66 -17.53 44.24 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.014 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 49.33 67.44 0.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.608 -0.724 . . . . 1.0 111.694 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.9 mmt180 -81.18 144.15 31.84 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.894 0.378 . . . . 1.0 110.332 179.041 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 79.4 mtp85 -62.0 -31.57 71.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.932 -0.577 . . . . 1.0 111.037 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -60.66 -37.84 82.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.44 -0.345 . . . . 1.0 110.541 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.75 -36.76 83.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.582 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -61.16 -42.15 98.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.458 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.66 -9.27 53.61 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.767 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.7 mt -115.03 10.33 16.2 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.729 0.3 . . . . 1.0 110.272 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -82.55 110.24 17.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.695 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.495 ' H ' HD23 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -84.68 152.17 59.56 Favored Pre-proline 0 CA--C 1.535 0.367 0 CA-C-N 116.666 -0.243 . . . . 1.0 110.923 -179.364 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -66.12 149.89 85.43 Favored 'Trans proline' 0 N--CA 1.498 1.778 0 C-N-CA 122.669 2.246 . . . . 1.0 112.264 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -138.36 -73.83 0.4 Allowed 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.49 -0.323 . . . . 1.0 110.969 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -169.14 -79.63 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 120.712 -0.395 . . . . 1.0 110.579 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 18.3 tt -128.99 134.29 64.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 CA-C-O 120.708 0.29 . . . . 1.0 110.347 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -155.19 163.29 31.41 Favored Glycine 0 CA--C 1.529 0.936 0 N-CA-C 111.242 -0.743 . . . . 1.0 111.242 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 60.7 105.3 0.01 OUTLIER Glycine 0 CA--C 1.531 1.085 0 N-CA-C 111.758 -0.537 . . . . 1.0 111.758 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 45.96 83.94 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.82 0.343 . . . . 1.0 111.651 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -74.36 64.0 1.09 Allowed 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.807 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.575 ' N ' ' CD ' ' A' ' 45' ' ' PRO . . . -85.48 -44.89 6.0 Favored Glycine 0 CA--C 1.529 0.935 0 N-CA-C 111.125 -0.79 . . . . 1.0 111.125 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 44' ' ' GLY . 37.9 Cg_exo -59.59 145.41 98.14 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 123.192 2.595 . . . . 1.0 112.748 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -39.61 151.15 0.23 Allowed Pre-proline 0 CA--C 1.535 0.404 0 CA-C-N 115.601 -0.727 . . . . 1.0 111.246 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.428 ' O ' ' O ' ' A' ' 48' ' ' VAL . 43.6 Cg_endo -66.98 -20.85 50.5 Favored 'Trans proline' 0 N--CA 1.501 1.964 0 C-N-CA 122.815 2.343 . . . . 1.0 112.17 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' A' ' 47' ' ' PRO . 46.9 t 52.98 113.36 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-O 120.885 0.374 . . . . 1.0 111.442 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -133.48 67.02 1.54 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.925 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -133.61 58.79 1.76 Allowed 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.175 -0.466 . . . . 1.0 109.846 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -74.49 -149.73 1.88 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.306 -0.718 . . . . 1.0 111.306 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -84.29 77.18 10.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.666 0.27 . . . . 1.0 111.274 -179.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 98.9 m95 36.99 80.95 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.167 -0.47 . . . . 1.0 111.22 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -154.23 135.58 14.13 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-O 121.528 0.68 . . . . 1.0 111.488 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.7 mttp 51.74 76.42 0.17 Allowed 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.194 -0.912 . . . . 1.0 111.887 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 66.5 tttm -137.26 126.51 24.7 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 120.827 0.346 . . . . 1.0 110.463 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -89.42 -175.95 46.03 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 110.876 -0.89 . . . . 1.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 19.9 tt -104.08 132.07 51.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-O 121.135 0.493 . . . . 1.0 110.79 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.568 ' C ' ' H ' ' A' ' 61' ' ' ASP . . . 48.25 20.78 0.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.757 -0.656 . . . . 1.0 111.223 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.596 HG22 ' O ' ' A' ' 60' ' ' ILE . 95.0 mt 52.81 2.3 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-O 120.933 0.397 . . . . 1.0 111.143 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.568 ' H ' ' C ' ' A' ' 59' ' ' ALA . 37.2 t70 -65.62 137.66 57.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.505 -0.316 . . . . 1.0 111.202 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.092 -0.956 . . . . 1.0 111.02 -179.871 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtt . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.88 -0.415 . . . . 1.0 109.88 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -62.46 -42.54 99.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.135 0.493 . . . . 1.0 109.685 179.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 48.08 -115.28 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.611 -0.722 . . . . 1.0 110.957 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.4 ' O ' ' N ' ' A' ' 6' ' ' GLU . 94.7 mtp 37.79 45.52 0.67 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.135 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.4 m 64.02 -79.11 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.22 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 4' ' ' MET . 80.4 mm-40 36.91 41.64 0.19 Allowed 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.543 -0.299 . . . . 1.0 111.467 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -70.63 124.73 24.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.957 0.408 . . . . 1.0 110.695 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.0 p -142.49 176.24 9.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.219 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.3 mmm-85 -59.22 -26.36 64.79 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.23 -0.655 . . . . 1.0 109.23 178.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.4 mttt 57.79 86.89 0.07 Allowed 'General case' 0 CA--C 1.521 -0.14 0 CA-C-O 121.302 0.572 . . . . 1.0 110.231 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -81.25 -171.54 3.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.233 -0.894 . . . . 1.0 111.36 -179.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.2 pp -47.17 147.49 2.5 Favored Pre-proline 0 CA--C 1.536 0.424 0 CA-C-N 115.603 -0.726 . . . . 1.0 110.549 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -63.11 130.7 29.75 Favored 'Trans proline' 0 N--CA 1.502 2.014 0 C-N-CA 122.264 1.976 . . . . 1.0 111.79 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -77.37 3.19 6.97 Favored 'Trans proline' 0 N--CA 1.494 1.557 0 C-N-CA 122.052 1.835 . . . . 1.0 111.879 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -58.26 -35.3 71.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.035 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.62 -48.55 79.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.386 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 49.3 mt -63.69 -42.2 98.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.924 -0.58 . . . . 1.0 109.959 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -65.99 -34.64 78.57 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.576 -0.738 . . . . 1.0 109.348 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.24 -40.09 89.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.721 -0.672 . . . . 1.0 109.376 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.3 mt -64.05 -40.34 96.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.708 -0.678 . . . . 1.0 109.684 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.24 -39.48 94.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.295 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -67.77 -32.79 73.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.182 -0.463 . . . . 1.0 109.94 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.26 -36.06 78.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.812 -0.631 . . . . 1.0 109.686 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -67.38 -44.08 79.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.801 -0.636 . . . . 1.0 109.997 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' A' ' 26' ' ' ARG . 96.7 mt-10 -68.57 -34.08 75.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.109 -0.496 . . . . 1.0 109.919 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.448 ' O ' ' O ' ' A' ' 25' ' ' GLU . 33.6 ptt180 37.45 -163.16 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.734 -0.666 . . . . 1.0 111.479 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -100.88 91.59 4.66 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.575 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -66.66 -36.07 81.66 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.91 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.0 ptp180 -61.05 -23.47 65.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.829 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.97 -34.94 79.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.676 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -59.53 -41.61 90.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.568 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.57 6.76 22.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.449 -0.342 . . . . 1.0 110.828 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 47.0 tp -145.87 82.7 1.63 Allowed 'General case' 0 N--CA 1.463 0.225 0 N-CA-C 109.771 -0.455 . . . . 1.0 109.771 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.486 ' OD1' ' N ' ' A' ' 34' ' ' ASP . 21.9 p-10 -93.15 3.88 54.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.803 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 32.4 mt -126.1 61.21 39.58 Favored Pre-proline 0 N--CA 1.47 0.564 0 CA-C-N 116.454 -0.339 . . . . 1.0 111.102 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.84 -16.09 45.18 Favored 'Trans proline' 0 N--CA 1.498 1.768 0 C-N-CA 122.626 2.217 . . . . 1.0 112.367 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -68.3 145.51 54.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.701 0.286 . . . . 1.0 110.366 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -119.81 44.56 2.37 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.919 0.39 . . . . 1.0 110.19 179.776 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 90.3 mt 55.02 -82.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.53 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 38' ' ' GLU . . . 79.32 -173.6 55.24 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.427 -0.669 . . . . 1.0 111.427 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' A' ' 42' ' ' ARG . . . 150.52 38.87 0.03 OUTLIER Glycine 0 CA--C 1.527 0.83 0 N-CA-C 111.282 -0.727 . . . . 1.0 111.282 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.472 ' O ' ' O ' ' A' ' 41' ' ' GLY . 75.2 ttt180 39.02 101.84 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.092 0.472 . . . . 1.0 111.539 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -67.56 119.59 12.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.699 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.97 -162.62 38.67 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.048 -0.821 . . . . 1.0 111.048 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -47.96 170.41 0.06 OUTLIER 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 122.866 2.378 . . . . 1.0 112.347 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.433 ' O ' ' O ' ' A' ' 47' ' ' PRO . 6.5 tp10 -116.69 85.43 16.98 Favored Pre-proline 0 N--CA 1.47 0.552 0 CA-C-N 115.968 -0.56 . . . . 1.0 111.004 -179.078 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.433 ' O ' ' O ' ' A' ' 46' ' ' GLU . 50.6 Cg_exo -53.03 -158.81 0.0 OUTLIER 'Trans proline' 0 N--CA 1.497 1.714 0 C-N-CA 122.595 2.196 . . . . 1.0 112.601 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.72 132.8 19.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.949 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 34.2 ptt-85 -137.23 10.67 3.02 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -102.62 128.73 49.17 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.578 -0.283 . . . . 1.0 110.595 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -147.46 111.27 0.54 Allowed Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.906 -0.878 . . . . 1.0 110.906 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -83.22 166.91 18.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.863 0.363 . . . . 1.0 111.022 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -70.78 171.17 11.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.797 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -67.12 -106.79 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.681 -0.69 . . . . 1.0 110.798 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 44.3 tttp 47.37 27.54 0.92 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.471 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -141.1 156.05 46.04 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.788 0.328 . . . . 1.0 110.421 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.58 ' C ' ' H ' ' A' ' 59' ' ' ALA . . . 95.61 -145.5 17.79 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.772 -0.931 . . . . 1.0 110.772 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.557 HG22 ' O ' ' A' ' 58' ' ' ILE . 92.2 mt 57.33 -2.75 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 CA-C-O 120.748 0.309 . . . . 1.0 110.908 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.58 ' H ' ' C ' ' A' ' 57' ' ' GLY . . . -151.97 9.96 0.52 Allowed 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.601 -0.272 . . . . 1.0 110.64 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.427 ' C ' ' O ' ' A' ' 59' ' ' ALA . 31.4 pt 32.08 53.31 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-O 121.191 0.519 . . . . 1.0 111.631 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -64.95 142.64 58.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.733 -0.667 . . . . 1.0 110.865 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 93.5 t80 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.026 -0.988 . . . . 1.0 110.417 -179.786 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.1 mtp . . . . . 0 N--CA 1.487 1.414 0 N-CA-C 108.517 -0.92 . . . . 1.0 108.517 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -93.8 136.93 33.57 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 109.548 -0.538 . . . . 1.0 109.548 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 50.4 p30 -82.42 152.27 26.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.745 -0.662 . . . . 1.0 110.985 -179.089 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 52.0 ttp -163.39 -34.04 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.645 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 72.3 p -132.69 160.53 36.47 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 120.953 0.406 . . . . 1.0 110.545 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -161.51 163.71 30.08 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.639 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.514 ' OE1' ' N ' ' A' ' 7' ' ' GLU . 56.2 mp0 -87.51 114.07 23.78 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 116.548 -0.296 . . . . 1.0 110.667 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.0 m -123.89 129.51 51.11 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 109.96 -0.385 . . . . 1.0 109.96 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -86.45 63.49 8.02 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 108.978 -0.749 . . . . 1.0 108.978 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -63.37 -40.19 96.59 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.51 -0.768 . . . . 1.0 109.956 -179.122 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -114.64 -178.14 3.3 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.206 0.527 . . . . 1.0 111.651 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.0 mt -60.38 147.28 82.61 Favored Pre-proline 0 CA--C 1.533 0.299 0 CA-C-N 115.506 -0.77 . . . . 1.0 110.414 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -38.81 102.57 0.04 OUTLIER 'Trans proline' 0 C--N 1.316 -1.183 0 C-N-CA 122.411 2.074 . . . . 1.0 112.034 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -82.14 0.15 9.95 Favored 'Trans proline' 0 C--N 1.314 -1.284 0 C-N-CA 122.536 2.157 . . . . 1.0 111.825 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -56.4 -29.11 61.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.0 -0.546 . . . . 1.0 109.808 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.04 -39.0 84.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.756 -0.656 . . . . 1.0 110.372 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.8 mt -63.39 -42.98 98.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 1.0 109.946 179.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -66.8 -38.69 86.99 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.981 -0.554 . . . . 1.0 109.606 178.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.14 -38.04 84.97 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 109.393 -0.595 . . . . 1.0 109.393 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.6 tp -61.95 -42.11 98.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.755 -0.657 . . . . 1.0 109.732 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.408 ' O ' ' OE1' ' A' ' 25' ' ' GLU . . . -64.44 -35.38 80.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.782 -0.644 . . . . 1.0 110.441 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -65.76 -32.26 73.69 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 109.598 -0.519 . . . . 1.0 109.598 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.57 -33.1 69.56 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.839 -0.619 . . . . 1.0 109.725 178.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -69.79 -40.79 75.79 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.661 -0.7 . . . . 1.0 110.481 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.408 ' OE1' ' O ' ' A' ' 21' ' ' ALA . 2.2 mp0 -68.79 -35.56 77.18 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.107 179.273 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -44.76 124.24 4.21 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.53 -0.759 . . . . 1.0 111.705 -178.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.0 tpp85 -157.35 50.15 0.45 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.614 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -69.76 -19.64 63.52 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.027 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -67.24 -22.15 65.71 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.618 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.07 -23.58 22.51 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.817 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -62.3 -44.84 95.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.457 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.47 12.43 6.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.597 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 49.7 tp -155.16 104.52 2.45 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.396 -0.366 . . . . 1.0 110.803 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 44.1 p-10 -69.96 142.14 52.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.052 -0.522 . . . . 1.0 111.228 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.583 ' O ' HD12 ' A' ' 35' ' ' LEU . 0.3 OUTLIER -43.41 153.29 0.38 Allowed Pre-proline 0 CA--C 1.536 0.433 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.291 -179.235 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -65.96 -20.2 57.74 Favored 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 122.214 1.943 . . . . 1.0 112.565 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -72.88 -171.66 0.9 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.653 -0.249 . . . . 1.0 110.945 -179.228 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -142.21 -162.67 1.45 Allowed 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 110.031 -0.359 . . . . 1.0 110.031 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 42.6 pt -96.38 -5.74 9.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-O 120.783 0.325 . . . . 1.0 110.464 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 63.99 -134.88 40.35 Favored Glycine 0 CA--C 1.527 0.824 0 CA-C-N 115.986 -0.552 . . . . 1.0 111.819 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.97 153.39 8.9 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.34 -0.704 . . . . 1.0 111.34 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -76.36 -19.62 58.0 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 111.978 0.362 . . . . 1.0 111.978 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -94.73 144.15 25.86 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.832 0.349 . . . . 1.0 110.733 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 165.27 -72.29 0.18 Allowed Glycine 0 CA--C 1.528 0.848 0 N-CA-C 110.963 -0.855 . . . . 1.0 110.963 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -64.97 -23.83 61.08 Favored 'Trans proline' 0 N--CA 1.497 1.708 0 C-N-CA 123.006 2.471 . . . . 1.0 112.568 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 33.99 62.45 1.83 Allowed Pre-proline 0 CA--C 1.535 0.396 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.975 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -68.63 149.14 73.54 Favored 'Trans proline' 0 N--CA 1.496 1.668 0 C-N-CA 122.521 2.147 . . . . 1.0 111.959 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.518 HG23 ' H ' ' A' ' 49' ' ' ARG . 0.9 OUTLIER -73.22 -95.29 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-N 116.061 -0.518 . . . . 1.0 111.825 -179.337 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.518 ' H ' HG23 ' A' ' 48' ' ' VAL . 24.9 mmt180 48.58 58.47 5.21 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.006 0.431 . . . . 1.0 111.087 -179.617 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -104.92 7.77 34.37 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.093 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.85 68.98 1.7 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.1 -0.8 . . . . 1.0 111.1 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -71.63 142.92 49.94 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 120.962 0.411 . . . . 1.0 111.59 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 91.8 t90 -78.34 110.77 13.67 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.846 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -171.45 37.29 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 120.901 0.382 . . . . 1.0 111.28 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' A' ' 56' ' ' LYS . 54.7 mtpt -63.08 -44.65 95.19 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.916 -0.583 . . . . 1.0 112.083 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' A' ' 55' ' ' LYS . 68.9 mttm 39.71 -163.23 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.821 0.343 . . . . 1.0 110.813 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -87.46 -175.42 48.63 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.53 -43.4 98.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.831 0.348 . . . . 1.0 110.511 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -150.06 -50.37 0.14 Allowed 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.491 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.414 HG23 ' N ' ' A' ' 61' ' ' ASP . 20.9 tt -154.88 -39.35 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 C-N-CA 120.834 -0.346 . . . . 1.0 111.284 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.467 ' CG ' ' N ' ' A' ' 62' ' ' PHE . 34.4 t70 58.73 174.35 0.07 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.469 179.608 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.467 ' N ' ' CG ' ' A' ' 61' ' ' ASP . 87.6 t80 . . . . . 0 C--O 1.222 -0.379 0 CA-C-O 117.958 -1.02 . . . . 1.0 111.13 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.0 ptt? . . . . . 0 N--CA 1.487 1.386 0 N-CA-C 109.406 -0.59 . . . . 1.0 109.406 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 17.8 tpt180 -73.93 131.21 41.22 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.519 -0.549 . . . . 1.0 109.519 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -136.98 54.71 1.85 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.135 0.493 . . . . 1.0 110.746 -179.142 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 91.3 mtp -64.85 -39.92 94.34 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.85 -0.614 . . . . 1.0 110.99 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 86.1 m -144.4 119.53 10.1 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 110.146 -0.316 . . . . 1.0 110.146 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -162.49 120.04 2.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.078 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.463 ' N ' ' CD ' ' A' ' 7' ' ' GLU . 1.6 pm0 -162.1 60.06 0.24 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.944 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 9' ' ' ARG . 11.6 m -63.56 -42.29 98.35 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.472 -0.331 . . . . 1.0 110.722 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.409 ' O ' ' O ' ' A' ' 8' ' ' THR . 35.0 ttm180 62.03 131.03 0.01 OUTLIER 'General case' 0 C--O 1.232 0.179 0 N-CA-C 109.654 -0.499 . . . . 1.0 109.654 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -88.76 61.46 6.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.529 0.681 . . . . 1.0 110.604 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.55 ' CG ' ' H ' ' A' ' 12' ' ' LEU . 25.5 t0 38.96 -157.49 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 114.918 -1.037 . . . . 1.0 111.747 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.55 ' H ' ' CG ' ' A' ' 11' ' ' ASP . 21.2 mt -110.89 99.19 41.5 Favored Pre-proline 0 CA--C 1.534 0.34 0 CA-C-N 116.033 -0.531 . . . . 1.0 109.942 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.478 ' N ' ' CD ' ' A' ' 14' ' ' PRO . 26.4 Cg_exo -53.17 -44.08 51.86 Favored 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 122.187 1.925 . . . . 1.0 112.391 178.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 13' ' ' PRO . 92.5 Cg_endo -83.53 42.08 1.18 Allowed 'Trans proline' 0 C--N 1.318 -1.039 0 C-N-CA 122.25 1.967 . . . . 1.0 112.005 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -66.62 -38.91 87.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.937 -0.574 . . . . 1.0 109.812 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.27 -40.75 97.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.764 -0.653 . . . . 1.0 110.234 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.543 ' N ' HD22 ' A' ' 17' ' ' LEU . 4.1 mm? -63.64 -42.12 98.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.984 -0.553 . . . . 1.0 109.853 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -67.18 -36.84 82.63 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.849 -0.614 . . . . 1.0 109.654 179.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.57 -38.81 78.67 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.262 -0.644 . . . . 1.0 109.262 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.569 HD13 ' O ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -62.0 -43.09 99.57 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.244 -0.65 . . . . 1.0 109.244 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.21 -38.06 89.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.767 -0.651 . . . . 1.0 110.475 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -67.35 -34.24 76.91 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 109.664 -0.495 . . . . 1.0 109.664 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.91 -36.5 83.57 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.956 -0.566 . . . . 1.0 109.842 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.75 -38.98 90.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.784 -0.644 . . . . 1.0 110.174 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -66.18 -34.4 77.96 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 109.881 -0.415 . . . . 1.0 109.881 179.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 57.5 ttm-85 70.43 52.01 0.35 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.374 -0.83 . . . . 1.0 111.691 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.9 mmt85 -133.37 19.03 3.98 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 120.694 0.283 . . . . 1.0 110.395 178.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -65.02 -39.54 93.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.308 -0.405 . . . . 1.0 111.109 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -64.5 -38.86 92.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.698 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.31 -41.09 97.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.793 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.25 -41.72 99.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.353 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.77 -23.88 67.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.433 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.459 HD13 ' H ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -140.12 85.13 2.0 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.202 0.525 . . . . 1.0 110.671 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.436 ' O ' ' CB ' ' A' ' 35' ' ' LEU . 43.7 t0 -68.89 -26.09 64.93 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.799 -0.637 . . . . 1.0 111.086 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.459 ' H ' HD13 ' A' ' 33' ' ' LEU . 1.8 tt 79.5 74.43 0.14 Allowed Pre-proline 0 N--CA 1.467 0.413 0 CA-C-O 121.08 0.467 . . . . 1.0 110.972 179.733 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -60.65 146.58 96.9 Favored 'Trans proline' 0 N--CA 1.497 1.725 0 C-N-CA 122.738 2.292 . . . . 1.0 112.152 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -58.8 132.4 53.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.134 -0.485 . . . . 1.0 111.199 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -156.34 -20.18 0.1 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.609 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.487 HG23 ' N ' ' A' ' 40' ' ' GLY . 20.7 tt -66.76 -41.06 87.38 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-O 120.817 0.341 . . . . 1.0 110.546 179.416 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.487 ' N ' HG23 ' A' ' 39' ' ' ILE . . . -67.37 163.12 46.34 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.768 -0.533 . . . . 1.0 111.768 -179.558 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.26 58.5 6.02 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.533 -0.627 . . . . 1.0 111.533 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -73.17 147.05 45.14 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.854 0.359 . . . . 1.0 111.494 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -98.52 142.37 30.21 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.863 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -162.42 57.31 0.29 Allowed Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.004 -0.839 . . . . 1.0 111.004 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -74.07 155.22 47.58 Favored 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 123.133 2.556 . . . . 1.0 112.579 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.649 ' CD ' ' H ' ' A' ' 46' ' ' GLU . 2.0 pm0 -52.89 150.7 9.56 Favored Pre-proline 0 CA--C 1.538 0.512 0 CA-C-N 115.55 -0.75 . . . . 1.0 111.228 -179.508 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -67.16 150.98 82.06 Favored 'Trans proline' 0 N--CA 1.498 1.791 0 C-N-CA 122.813 2.342 . . . . 1.0 112.158 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.544 ' O ' ' N ' ' A' ' 50' ' ' PHE . 2.7 t -81.63 47.05 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 116.226 -0.443 . . . . 1.0 111.505 -179.144 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 56.59 -73.15 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.509 -0.314 . . . . 1.0 111.313 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.544 ' N ' ' O ' ' A' ' 48' ' ' VAL . 93.1 m-85 -62.85 -42.85 99.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.809 0.338 . . . . 1.0 110.359 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.63 -157.88 44.46 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.385 -0.686 . . . . 1.0 111.385 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 53.3 p30 -83.51 173.04 11.8 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.707 0.289 . . . . 1.0 111.18 -179.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 4.0 m0 -101.06 144.84 29.49 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.592 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -139.12 38.26 2.12 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.824 0.345 . . . . 1.0 111.225 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -63.83 -41.58 97.81 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.8 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -68.83 143.92 54.43 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 120.821 -0.352 . . . . 1.0 110.716 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -130.45 -147.8 6.23 Favored Glycine 0 N--CA 1.467 0.702 0 N-CA-C 111.002 -0.839 . . . . 1.0 111.002 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.49 HG23 ' N ' ' A' ' 59' ' ' ALA . 20.9 tt -66.45 -41.18 88.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-O 120.733 0.301 . . . . 1.0 110.605 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.565 ' C ' ' H ' ' A' ' 61' ' ' ASP . . . -134.87 28.48 3.53 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.743 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.521 HG22 ' O ' ' A' ' 60' ' ' ILE . 90.7 mt 57.27 -3.28 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 116.337 -0.392 . . . . 1.0 111.131 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.565 ' H ' ' C ' ' A' ' 59' ' ' ALA . 36.5 p30 -174.19 -115.24 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.678 -0.237 . . . . 1.0 110.705 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.47 ' H ' ' CG ' ' A' ' 61' ' ' ASP . 85.9 t80 . . . . . 0 N--CA 1.469 0.48 0 CA-C-O 118.092 -0.956 . . . . 1.0 110.931 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.1 mmm . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.171 -0.677 . . . . 1.0 109.171 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -65.57 -36.9 85.12 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.563 -0.532 . . . . 1.0 109.563 178.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -88.47 102.34 14.81 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.443 -0.799 . . . . 1.0 110.746 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 61.8 ttp -148.25 127.7 13.15 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.256 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 54.7 m 43.86 92.56 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.756 0.313 . . . . 1.0 110.404 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -133.44 9.87 4.03 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.15 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -138.16 132.44 31.93 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 120.838 0.351 . . . . 1.0 110.2 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 87.8 m -130.47 130.82 44.71 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.535 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 -65.08 -93.17 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.07 0.462 . . . . 1.0 110.432 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -57.73 102.72 0.1 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.984 -0.553 . . . . 1.0 109.577 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.438 ' C ' HD12 ' A' ' 12' ' ' LEU . 48.7 t0 -150.93 150.34 30.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.771 -0.65 . . . . 1.0 110.752 -179.082 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.438 HD12 ' C ' ' A' ' 11' ' ' ASP . 9.4 mp -109.31 99.53 36.96 Favored Pre-proline 0 CA--C 1.539 0.539 0 CA-C-N 116.1 -0.5 . . . . 1.0 109.764 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -77.01 144.15 23.61 Favored 'Trans proline' 0 N--CA 1.489 1.252 0 C-N-CA 121.58 1.52 . . . . 1.0 112.019 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.432 ' C ' ' N ' ' A' ' 16' ' ' ALA . 72.9 Cg_endo -74.38 -160.97 0.11 Allowed 'Trans proline' 0 N--CA 1.496 1.645 0 C-N-CA 122.438 2.092 . . . . 1.0 112.196 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -50.37 -17.23 0.43 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.069 -0.514 . . . . 1.0 109.735 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.432 ' N ' ' C ' ' A' ' 14' ' ' PRO . . . -56.09 -23.06 31.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.747 -0.66 . . . . 1.0 110.138 179.11 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.4 ' HG ' ' N ' ' A' ' 18' ' ' ARG . 2.9 pp -62.06 -36.92 83.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.871 -0.604 . . . . 1.0 109.57 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.4 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 77.7 ttt-85 -77.55 -31.18 53.13 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 115.947 -0.569 . . . . 1.0 109.893 179.617 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.71 -22.81 2.26 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.176 -0.676 . . . . 1.0 109.176 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 88.3 mt -61.3 -25.46 67.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.339 -0.846 . . . . 1.0 109.606 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.04 -35.21 77.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.835 -0.62 . . . . 1.0 110.416 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.88 -32.5 74.05 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.603 -0.517 . . . . 1.0 109.603 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 26' ' ' ARG . . . -64.7 -36.19 83.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.941 -0.572 . . . . 1.0 109.838 179.002 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -56.97 -34.18 67.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.228 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -63.57 -41.22 98.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.047 0.451 . . . . 1.0 110.134 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.411 ' O ' ' O ' ' A' ' 23' ' ' ALA . 77.9 ttt180 -94.91 137.28 34.17 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.743 -0.662 . . . . 1.0 111.248 -179.351 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.445 ' HE ' ' HB2' ' A' ' 30' ' ' ALA . 56.1 ttp180 60.02 62.94 1.53 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.91 -0.587 . . . . 1.0 110.71 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -61.51 -30.05 70.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.721 -0.672 . . . . 1.0 111.125 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 33' ' ' LEU . 54.7 ptt85 -60.48 -14.64 20.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.452 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.445 ' HB2' ' HE ' ' A' ' 27' ' ' ARG . . . -56.75 -39.9 74.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.915 -179.125 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -81.37 -3.98 54.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.553 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' A' ' 33' ' ' LEU . . . -123.8 -84.84 0.65 Allowed 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 109.647 -0.501 . . . . 1.0 109.647 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.498 ' CB ' ' O ' ' A' ' 32' ' ' ALA . 3.0 tp 86.49 -33.85 0.04 OUTLIER 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.825 -0.435 . . . . 1.0 109.825 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.453 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 29.6 p-10 -173.31 92.6 0.1 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.774 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.605 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -78.55 -38.76 1.53 Allowed Pre-proline 0 CA--C 1.535 0.386 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.644 -179.832 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 35' ' ' LEU . 44.8 Cg_exo -54.63 -41.17 80.05 Favored 'Trans proline' 0 N--CA 1.498 1.775 0 C-N-CA 122.316 2.011 . . . . 1.0 112.557 -178.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 84.9 tttt 34.48 75.98 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.698 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -151.03 -49.28 0.12 Allowed 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.566 -0.288 . . . . 1.0 110.632 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.496 HG23 ' N ' ' A' ' 40' ' ' GLY . 20.7 tt -66.74 -41.78 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 120.777 0.322 . . . . 1.0 110.466 179.489 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.496 ' N ' HG23 ' A' ' 39' ' ' ILE . . . 78.52 -162.04 48.89 Favored Glycine 0 CA--C 1.529 0.953 0 N-CA-C 111.761 -0.535 . . . . 1.0 111.761 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -170.7 -167.82 31.6 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.202 -0.759 . . . . 1.0 111.202 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 92.3 mtm-85 -75.51 142.43 42.85 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.075 0.464 . . . . 1.0 111.404 -179.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 37.6 m-20 56.7 35.76 26.64 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.74 -0.664 . . . . 1.0 110.926 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.536 ' O ' ' N ' ' A' ' 46' ' ' GLU . . . -75.16 179.83 44.84 Favored Glycine 0 CA--C 1.528 0.866 0 N-CA-C 111.027 -0.829 . . . . 1.0 111.027 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_exo -42.97 82.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.473 0 C-N-CA 123.053 2.502 . . . . 1.0 112.473 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.58 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 12.0 tt0 -99.21 -36.78 0.24 Allowed Pre-proline 0 CA--C 1.538 0.489 0 CA-C-N 115.874 -0.603 . . . . 1.0 111.298 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 46' ' ' GLU . 70.4 Cg_endo -80.51 -35.5 0.58 Allowed 'Trans proline' 0 N--CA 1.494 1.514 0 C-N-CA 121.893 1.728 . . . . 1.0 112.537 -179.111 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.413 ' C ' ' O ' ' A' ' 47' ' ' PRO . 26.1 t 31.34 90.28 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.802 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 84.5 mtp180 -85.08 17.57 2.9 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.615 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 43.69 86.04 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.695 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -80.34 178.23 53.98 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 111.21 -0.756 . . . . 1.0 111.21 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.454 ' OD1' ' O ' ' A' ' 52' ' ' ASP . 47.1 p-10 -91.59 113.58 25.88 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.148 0.499 . . . . 1.0 111.191 -179.577 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 90.8 t90 -135.1 126.2 27.9 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.583 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -166.12 75.98 0.21 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 120.902 0.382 . . . . 1.0 110.937 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.4 tttt 51.07 83.06 0.05 Allowed 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.015 -0.539 . . . . 1.0 111.703 178.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -75.68 145.0 41.31 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.378 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.548 ' O ' HG23 ' A' ' 60' ' ' ILE . . . 167.27 -167.93 40.16 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 21.2 tt -77.04 -26.82 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.898 0.38 . . . . 1.0 110.883 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.05 19.45 0.23 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.947 -0.57 . . . . 1.0 111.588 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.548 HG23 ' O ' ' A' ' 57' ' ' GLY . 2.4 pp -81.06 -13.98 12.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.836 0.351 . . . . 1.0 110.896 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -63.24 -39.44 94.61 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.3 -179.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.064 -0.969 . . . . 1.0 110.829 -179.542 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.3 mtt . . . . . 0 N--CA 1.487 1.38 0 N-CA-C 108.323 -0.991 . . . . 1.0 108.323 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -144.98 139.43 27.49 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.965 0.412 . . . . 1.0 110.025 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -97.71 108.05 20.68 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.949 -179.135 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 62.9 ttp -90.65 -62.01 1.55 Allowed 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.87 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.4 p -69.6 -37.13 76.79 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.0 0.429 . . . . 1.0 110.426 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -87.64 154.73 20.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.772 -0.649 . . . . 1.0 110.747 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -68.25 148.52 50.69 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.573 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.7 m -64.26 135.16 55.98 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.495 -0.321 . . . . 1.0 110.161 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.423 ' H ' ' HD2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -77.65 171.44 14.93 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.773 -0.454 . . . . 1.0 109.773 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -136.27 134.29 37.86 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.438 -0.579 . . . . 1.0 109.438 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.536 ' CG ' ' H ' ' A' ' 12' ' ' LEU . 18.1 t0 -76.81 -146.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.608 -0.723 . . . . 1.0 111.895 -178.014 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.536 ' H ' ' CG ' ' A' ' 11' ' ' ASP . 4.2 mm? -110.08 99.02 37.64 Favored Pre-proline 0 CA--C 1.532 0.269 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.123 -179.364 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -50.52 109.25 0.28 Allowed 'Trans proline' 0 C--N 1.312 -1.354 0 C-N-CA 122.041 1.827 . . . . 1.0 111.928 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -77.55 173.06 14.78 Favored 'Trans proline' 0 C--N 1.313 -1.297 0 C-N-CA 122.497 2.131 . . . . 1.0 112.557 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -52.82 -33.57 49.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.583 -0.735 . . . . 1.0 110.228 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.37 -47.94 25.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.139 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.477 HD22 ' N ' ' A' ' 17' ' ' LEU . 4.1 mm? -65.21 -40.53 94.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.073 0.463 . . . . 1.0 110.002 179.345 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -64.83 -36.43 84.31 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.785 -0.643 . . . . 1.0 109.524 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.69 -40.51 95.24 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.338 -0.616 . . . . 1.0 109.338 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.1 tp -61.59 -39.68 92.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.717 -0.674 . . . . 1.0 109.489 179.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.97 -35.47 81.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.591 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -66.68 -32.87 74.47 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 109.703 -0.48 . . . . 1.0 109.703 179.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.76 -24.97 53.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.109 -0.496 . . . . 1.0 109.769 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -60.7 -33.7 73.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.684 -0.689 . . . . 1.0 110.258 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -60.09 -39.3 85.65 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.215 -0.448 . . . . 1.0 109.986 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -96.36 111.18 23.36 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.844 -0.616 . . . . 1.0 111.245 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -43.3 99.13 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.479 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.0 mmt85 -59.03 -43.45 91.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.956 -178.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.8 tpp85 -60.59 -45.14 95.1 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.272 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.42 -37.28 68.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.893 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -63.84 -39.34 93.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.473 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.31 -37.36 85.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.786 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.0 mt -126.22 62.45 1.26 Allowed 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.84 0.352 . . . . 1.0 110.218 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.499 ' O ' ' C ' ' A' ' 35' ' ' LEU . 46.9 t0 -62.82 -45.74 91.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.889 -0.596 . . . . 1.0 111.283 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.499 ' C ' ' O ' ' A' ' 34' ' ' ASP . 0.3 OUTLIER -16.93 84.09 0.03 OUTLIER Pre-proline 0 N--CA 1.473 0.7 0 O-C-N 123.831 0.707 . . . . 1.0 112.107 -179.295 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.475 ' N ' ' O ' ' A' ' 34' ' ' ASP . 56.1 Cg_endo -77.58 -8.41 17.07 Favored 'Trans proline' 0 C--N 1.315 -1.23 0 C-N-CA 122.817 2.345 . . . . 1.0 112.491 -178.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.42 ' NZ ' HD12 ' A' ' 35' ' ' LEU . 63.5 mttp 55.78 75.24 0.34 Allowed 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.167 -0.47 . . . . 1.0 111.83 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -144.69 165.57 27.68 Favored 'General case' 0 C--N 1.341 0.212 0 N-CA-C 109.855 -0.424 . . . . 1.0 109.855 179.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.96 -19.33 21.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.881 0.372 . . . . 1.0 110.582 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.65 161.02 23.32 Favored Glycine 0 CA--C 1.528 0.868 0 CA-C-N 115.832 -0.622 . . . . 1.0 111.909 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 170.7 -117.85 0.72 Allowed Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.197 -0.761 . . . . 1.0 111.197 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 44.4 mmm-85 -125.74 157.38 37.55 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.084 0.469 . . . . 1.0 111.506 -179.233 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 57.13 41.15 27.67 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.519 -0.764 . . . . 1.0 110.881 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -132.5 66.11 0.58 Allowed Glycine 0 N--CA 1.469 0.862 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -80.06 -98.02 0.01 OUTLIER 'Trans proline' 0 N--CA 1.497 1.702 0 C-N-CA 122.958 2.439 . . . . 1.0 112.452 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.444 ' OE1' ' O ' ' A' ' 48' ' ' VAL . 0.1 OUTLIER 71.07 65.24 0.41 Allowed Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.55 179.625 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -71.15 -31.95 13.82 Favored 'Trans proline' 0 N--CA 1.495 1.607 0 C-N-CA 122.192 1.928 . . . . 1.0 112.344 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.444 ' O ' ' OE1' ' A' ' 46' ' ' GLU . 38.6 t -108.21 107.01 21.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-O 120.903 0.383 . . . . 1.0 111.057 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.445 ' HG2' ' H ' ' A' ' 51' ' ' GLY . 77.6 ttt180 -63.68 -41.64 98.12 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.843 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.439 ' O ' ' CG ' ' A' ' 50' ' ' PHE . 83.9 t80 58.06 5.88 0.44 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.526 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.445 ' H ' ' HG2' ' A' ' 49' ' ' ARG . . . -85.73 -5.52 84.03 Favored Glycine 0 CA--C 1.531 1.074 0 N-CA-C 111.016 -0.834 . . . . 1.0 111.016 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 43.83 -98.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.642 0.238 . . . . 1.0 111.642 179.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 39.69 62.6 1.17 Allowed 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.85 0.357 . . . . 1.0 111.164 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -67.55 -37.77 83.17 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.029 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.4 tptt -157.32 -81.67 0.06 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 120.987 -0.285 . . . . 1.0 111.238 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp 47.21 92.38 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.86 0.362 . . . . 1.0 110.759 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 177.45 -53.31 0.1 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.126 -0.789 . . . . 1.0 111.126 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 37.8 pt -91.99 -9.12 10.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-O 120.78 0.324 . . . . 1.0 110.545 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.549 ' O ' ' N ' ' A' ' 61' ' ' ASP . . . -138.88 40.7 2.15 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.435 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.0 mt -41.86 87.78 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-O 121.184 0.516 . . . . 1.0 111.13 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.549 ' N ' ' O ' ' A' ' 59' ' ' ALA . 44.7 t0 -65.72 -39.31 91.05 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.701 -0.681 . . . . 1.0 111.584 -179.606 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 . . . . . 0 N--CA 1.471 0.591 0 CA-C-O 117.972 -1.014 . . . . 1.0 110.861 -179.723 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.562 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.457 0 N-CA-C 109.504 -0.554 . . . . 1.0 109.504 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.401 ' O ' HG22 ' A' ' 5' ' ' THR . 61.2 ttm-85 -61.81 -43.28 99.16 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.146 -0.686 . . . . 1.0 109.146 179.644 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.419 ' C ' ' SD ' ' A' ' 4' ' ' MET . 91.8 m-20 -86.08 176.94 7.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.696 -0.684 . . . . 1.0 110.685 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.419 ' SD ' ' C ' ' A' ' 3' ' ' ASP . 2.5 mpt? 62.64 3.6 1.18 Allowed 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.177 -179.518 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.401 HG22 ' O ' ' A' ' 2' ' ' ARG . 14.8 t -93.93 0.55 56.17 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.993 0.425 . . . . 1.0 110.271 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -69.46 133.96 48.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.685 -0.689 . . . . 1.0 110.967 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -79.37 137.88 37.46 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.715 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 95.5 m -130.15 129.77 43.9 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 120.81 0.338 . . . . 1.0 110.506 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 88.6 mtm-85 -76.32 156.2 33.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.413 . . . . 1.0 110.109 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -52.25 133.15 34.34 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-O 121.09 0.471 . . . . 1.0 110.13 -179.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -105.3 -140.78 0.37 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.595 -0.729 . . . . 1.0 111.598 -178.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.506 ' O ' ' O ' ' A' ' 13' ' ' PRO . 9.7 mp -45.74 155.97 0.46 Allowed Pre-proline 0 C--O 1.233 0.213 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.522 -178.396 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.506 ' O ' ' O ' ' A' ' 12' ' ' LEU . 45.9 Cg_exo -45.55 -174.87 0.0 OUTLIER 'Trans proline' 0 N--CA 1.492 1.405 0 C-N-CA 122.178 1.919 . . . . 1.0 111.931 179.501 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.431 ' CD ' ' CB ' ' A' ' 13' ' ' PRO . 52.3 Cg_exo -56.36 -11.57 6.52 Favored 'Trans proline' 0 C--N 1.311 -1.409 0 C-N-CA 122.7 2.267 . . . . 1.0 111.906 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -53.21 -21.19 4.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.268 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.39 -37.34 86.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.756 -0.657 . . . . 1.0 110.399 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.4 mt -62.78 -42.69 99.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.086 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -64.97 -38.31 90.55 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.193 -0.669 . . . . 1.0 109.193 178.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.24 -45.25 89.0 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.363 -0.606 . . . . 1.0 109.363 178.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.8 tp -62.05 -39.88 93.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.51 -0.768 . . . . 1.0 109.486 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.87 -37.96 88.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.486 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.401 ' C ' ' N ' ' A' ' 24' ' ' GLU . 74.1 mm-40 -69.51 -35.36 75.44 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.69 -0.485 . . . . 1.0 109.69 178.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.79 -19.4 0.96 Allowed 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.011 -0.541 . . . . 1.0 109.747 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 22' ' ' GLU . 98.4 mt-10 -57.18 -31.98 65.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.759 -0.655 . . . . 1.0 110.178 179.56 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -61.84 -35.61 78.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.067 0.461 . . . . 1.0 110.009 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -71.38 141.17 50.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.631 -0.713 . . . . 1.0 111.487 -178.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 93.3 mtm-85 -44.84 110.85 0.26 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.695 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -65.65 -32.55 74.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.883 -0.598 . . . . 1.0 110.983 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 -60.54 -33.22 72.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.454 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.76 -39.06 93.0 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.88 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -79.29 13.73 1.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.105 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 43.04 41.68 2.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.479 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.4 tp -152.98 104.59 2.85 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.298 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -75.86 146.59 39.71 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.767 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 32.0 mt -130.86 77.94 74.52 Favored Pre-proline 0 N--CA 1.47 0.553 0 CA-C-N 116.582 -0.281 . . . . 1.0 111.016 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -54.21 -37.23 87.77 Favored 'Trans proline' 0 N--CA 1.497 1.695 0 C-N-CA 122.745 2.297 . . . . 1.0 112.432 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -76.78 142.85 40.21 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.679 0.276 . . . . 1.0 111.166 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -159.99 -31.18 0.06 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.49 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 39.6 pt -77.33 -18.33 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-O 120.917 0.389 . . . . 1.0 110.581 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -73.46 72.0 1.24 Allowed Glycine 0 CA--C 1.528 0.885 0 CA-C-N 116.043 -0.526 . . . . 1.0 111.915 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.35 -33.52 85.18 Favored Glycine 0 CA--C 1.533 1.194 0 N-CA-C 111.821 -0.512 . . . . 1.0 111.821 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 81.0 mtp85 -66.07 156.91 32.48 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.062 0.458 . . . . 1.0 111.466 -178.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -148.5 172.74 13.99 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.702 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.497 ' H ' ' CD ' ' A' ' 45' ' ' PRO . . . -151.81 -54.18 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.056 -0.818 . . . . 1.0 111.056 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.497 ' CD ' ' H ' ' A' ' 44' ' ' GLY . 51.5 Cg_exo -58.54 141.15 97.12 Favored 'Trans proline' 0 N--CA 1.499 1.82 0 C-N-CA 122.789 2.326 . . . . 1.0 112.455 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.435 ' H ' ' HD2' ' A' ' 47' ' ' PRO . 12.0 mt-10 -90.3 -64.28 0.18 Allowed Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 115.744 -0.662 . . . . 1.0 111.206 -179.544 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.435 ' HD2' ' H ' ' A' ' 46' ' ' GLU . 31.8 Cg_endo -61.34 145.18 98.57 Favored 'Trans proline' 0 N--CA 1.499 1.851 0 C-N-CA 122.239 1.959 . . . . 1.0 111.902 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 15.8 m -124.64 128.9 73.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-O 121.032 0.444 . . . . 1.0 110.751 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 79.3 mmt-85 -81.41 -15.47 55.07 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.854 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -110.32 117.26 33.15 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.698 -0.482 . . . . 1.0 109.698 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.45 163.26 21.76 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.021 -0.831 . . . . 1.0 111.021 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 33.4 p-10 -95.08 1.98 55.1 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 111.505 0.187 . . . . 1.0 111.505 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.534 ' O ' ' N ' ' A' ' 55' ' ' LYS . 55.3 t-105 41.14 46.27 2.56 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.505 0.193 . . . . 1.0 111.192 179.46 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 55.81 -78.21 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.455 -0.339 . . . . 1.0 111.096 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.534 ' N ' ' O ' ' A' ' 53' ' ' TRP . 85.3 tttt 59.62 75.43 0.4 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.144 -0.48 . . . . 1.0 111.56 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 39.69 -108.42 0.08 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.944 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.43 -48.37 1.03 Allowed Glycine 0 N--CA 1.466 0.678 0 N-CA-C 111.013 -0.835 . . . . 1.0 111.013 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.62 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 70.2 mt -96.38 70.73 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-O 120.887 0.375 . . . . 1.0 110.128 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.62 ' HB2' ' O ' ' A' ' 58' ' ' ILE . . . 162.62 -21.47 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.41 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.426 ' O ' HG23 ' A' ' 60' ' ' ILE . 20.2 tt -74.31 126.86 35.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.138 0.494 . . . . 1.0 111.153 -179.303 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.438 ' O ' ' CG ' ' A' ' 62' ' ' PHE . 90.9 m-20 56.51 -88.6 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.816 -0.629 . . . . 1.0 111.663 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.438 ' CG ' ' O ' ' A' ' 61' ' ' ASP . 91.4 m-85 . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 117.963 -1.018 . . . . 1.0 110.617 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.9 mtp . . . . . 0 N--CA 1.488 1.471 0 N-CA-C 108.387 -0.968 . . . . 1.0 108.387 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 86.5 mtm-85 -90.7 88.95 7.3 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 109.412 -0.588 . . . . 1.0 109.412 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -62.54 -47.05 85.58 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 115.428 -0.806 . . . . 1.0 111.268 -179.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 47.7 ttp -161.39 155.7 22.73 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 110.281 -0.266 . . . . 1.0 110.281 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.415 HG22 ' H ' ' A' ' 5' ' ' THR . 0.1 OUTLIER -76.25 125.32 28.96 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.975 0.417 . . . . 1.0 110.329 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -141.58 135.23 29.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.34 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -122.09 -58.46 1.72 Allowed 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.832 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.458 HG22 ' H ' ' A' ' 10' ' ' LYS . 17.9 m -116.68 122.6 45.02 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 109.932 -0.396 . . . . 1.0 109.932 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -67.99 -25.64 65.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.539 0.685 . . . . 1.0 109.37 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.458 ' H ' HG22 ' A' ' 8' ' ' THR . 68.8 mttm 52.4 -124.85 2.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.733 -1.121 . . . . 1.0 110.408 -179.217 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -85.77 170.77 12.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.158 0.504 . . . . 1.0 111.983 -178.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.53 ' CD2' ' N ' ' A' ' 12' ' ' LEU . 3.0 mm? -58.04 146.71 67.88 Favored Pre-proline 0 CA--C 1.532 0.263 0 CA-C-N 115.433 -0.803 . . . . 1.0 110.777 -179.129 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.531 ' O ' ' N ' ' A' ' 15' ' ' GLU . 28.8 Cg_endo -65.73 163.81 29.07 Favored 'Trans proline' 0 N--CA 1.49 1.307 0 C-N-CA 121.925 1.75 . . . . 1.0 111.639 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_exo -38.91 85.68 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.452 0 C-N-CA 122.622 2.215 . . . . 1.0 112.508 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 13' ' ' PRO . 22.5 pt-20 -66.35 -37.33 85.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.79 -0.641 . . . . 1.0 110.136 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.418 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -63.88 -30.3 71.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.585 -0.734 . . . . 1.0 110.092 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 46.7 tp -62.95 -46.18 88.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.043 -0.526 . . . . 1.0 109.941 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.408 ' C ' ' N ' ' A' ' 20' ' ' LEU . 75.2 ttt180 -65.21 -35.25 80.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.86 -0.609 . . . . 1.0 109.434 179.22 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 16' ' ' ALA . . . -49.06 -22.65 0.96 Allowed 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.082 -0.71 . . . . 1.0 109.082 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.461 ' CD2' HH21 ' A' ' 28' ' ' ARG . 62.3 tp -60.82 -37.9 83.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.331 -0.849 . . . . 1.0 109.276 179.287 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.31 -23.38 5.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.655 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -62.79 -29.17 70.51 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.295 -0.632 . . . . 1.0 109.295 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.96 -21.12 10.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.902 -0.59 . . . . 1.0 109.686 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -59.15 -34.03 71.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.811 -0.631 . . . . 1.0 110.342 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -51.6 -19.65 1.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 1.0 109.934 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.524 ' O ' ' N ' ' A' ' 28' ' ' ARG . 11.3 ptp85 -133.83 167.3 20.81 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.938 -0.573 . . . . 1.0 111.09 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.4 HH21 ' HB2' ' A' ' 30' ' ' ALA . 14.4 ptm180 -49.45 85.06 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.033 0.444 . . . . 1.0 110.976 -179.518 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.524 ' N ' ' O ' ' A' ' 26' ' ' ARG . 73.4 ttt180 -71.9 -20.73 61.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.931 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 -54.72 -43.37 72.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.5 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.4 ' HB2' HH21 ' A' ' 27' ' ' ARG . . . -69.08 -40.31 78.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.659 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -57.14 -47.19 81.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.251 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.506 ' O ' ' CB ' ' A' ' 33' ' ' LEU . . . -68.1 -56.46 8.76 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.358 179.614 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.551 ' O ' ' N ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER 87.07 74.19 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.093 0.473 . . . . 1.0 110.587 179.199 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 33' ' ' LEU . 66.0 t0 36.56 -89.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.912 -0.586 . . . . 1.0 111.33 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.551 ' N ' ' O ' ' A' ' 33' ' ' LEU . 1.9 tt 61.69 72.85 0.62 Allowed Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 116.316 -0.402 . . . . 1.0 111.117 179.031 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -72.22 152.91 56.49 Favored 'Trans proline' 0 N--CA 1.493 1.452 0 C-N-CA 122.274 1.983 . . . . 1.0 112.101 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -93.18 155.04 17.7 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.683 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -136.93 -30.25 0.88 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 116.498 -0.319 . . . . 1.0 110.651 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 64.4 mt -63.63 -44.91 98.69 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 CA-C-O 120.807 0.337 . . . . 1.0 110.355 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.79 -35.82 92.37 Favored Glycine 0 CA--C 1.531 1.07 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.965 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -94.78 138.46 14.0 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.444 -0.662 . . . . 1.0 111.444 -179.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -66.19 -23.53 66.46 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 111.565 0.209 . . . . 1.0 111.565 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 58.11 -175.89 0.08 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.883 0.373 . . . . 1.0 111.037 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -135.3 64.87 0.58 Allowed Glycine 0 CA--C 1.529 0.955 0 N-CA-C 110.955 -0.858 . . . . 1.0 110.955 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -76.18 155.99 37.71 Favored 'Trans proline' 0 N--CA 1.495 1.601 0 C-N-CA 123.019 2.48 . . . . 1.0 112.471 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -148.41 74.42 10.64 Favored Pre-proline 0 N--CA 1.465 0.276 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.731 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -59.98 145.58 98.02 Favored 'Trans proline' 0 N--CA 1.498 1.741 0 C-N-CA 122.831 2.354 . . . . 1.0 111.704 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 68.8 t -95.25 130.4 44.06 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-N 116.513 -0.312 . . . . 1.0 110.886 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -92.49 66.81 4.64 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.872 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 41.57 62.1 1.65 Allowed 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.868 -0.605 . . . . 1.0 110.715 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -64.95 -38.93 96.09 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.407 -0.677 . . . . 1.0 111.407 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' A' ' 52' ' ' ASP . 49.5 p-10 -90.65 93.8 9.42 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.733 0.301 . . . . 1.0 111.425 -179.253 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 73.8 t-105 -90.59 84.5 5.93 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.749 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 38.22 82.13 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.118 -0.492 . . . . 1.0 111.076 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -112.46 125.52 54.32 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.407 -0.361 . . . . 1.0 110.828 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.73 -41.41 98.06 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.937 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 81.28 105.0 0.34 Allowed Glycine 0 CA--C 1.527 0.816 0 N-CA-C 111.195 -0.762 . . . . 1.0 111.195 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 8.3 mm 58.18 39.35 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.102 0.477 . . . . 1.0 110.324 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -170.59 38.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.29 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' A' ' 62' ' ' PHE . 41.7 pt -69.13 -24.99 28.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 116.427 -0.351 . . . . 1.0 111.173 -179.542 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 67.3 t0 44.77 -88.22 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 116.322 -0.399 . . . . 1.0 111.586 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.485 ' N ' ' O ' ' A' ' 60' ' ' ILE . 91.4 t80 . . . . . 0 C--O 1.218 -0.6 0 CA-C-O 118.046 -0.978 . . . . 1.0 110.97 -179.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.1 ptp . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.56 -0.533 . . . . 1.0 109.56 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 23.1 mmt85 -64.68 -39.12 93.12 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.084 -0.709 . . . . 1.0 109.084 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 3' ' ' ASP . 48.1 t0 51.52 35.64 14.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.481 -0.782 . . . . 1.0 111.222 178.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.449 ' SD ' ' C ' ' A' ' 4' ' ' MET . 0.0 OUTLIER -132.48 114.86 14.8 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.475 -0.33 . . . . 1.0 110.199 179.411 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.448 ' HG1' ' CE ' ' A' ' 4' ' ' MET . 20.4 m 40.8 77.42 0.06 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.965 0.412 . . . . 1.0 110.613 -179.69 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -80.28 135.4 36.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.888 -0.596 . . . . 1.0 110.722 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -116.25 130.72 56.93 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.576 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.6 t -146.72 160.4 42.28 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.081 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.541 ' C ' ' H ' ' A' ' 11' ' ' ASP . 34.9 ttm180 60.16 161.31 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.382 -0.599 . . . . 1.0 109.382 -179.177 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.519 ' O ' ' N ' ' A' ' 12' ' ' LEU . 48.7 mtpt 68.58 -37.77 0.36 Allowed 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.564 0.54 . . . . 1.0 110.076 -179.159 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.541 ' H ' ' C ' ' A' ' 9' ' ' ARG . 1.0 OUTLIER 34.02 -88.04 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.809 178.48 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.519 ' N ' ' O ' ' A' ' 10' ' ' LYS . 13.7 mt -84.49 145.23 44.52 Favored Pre-proline 0 CA--C 1.536 0.416 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.6 -179.494 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -42.1 155.42 0.09 OUTLIER 'Trans proline' 0 N--CA 1.491 1.37 0 C-N-CA 121.936 1.757 . . . . 1.0 112.049 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -71.5 -14.32 30.63 Favored 'Trans proline' 0 N--CA 1.496 1.674 0 C-N-CA 122.791 2.327 . . . . 1.0 111.884 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -58.69 -37.1 75.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.07 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.12 -39.14 75.63 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.252 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.1 tp -63.27 -45.93 89.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.967 -0.56 . . . . 1.0 109.721 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -64.85 -36.34 84.03 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.834 -0.621 . . . . 1.0 109.716 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.71 -37.08 39.4 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.324 -0.621 . . . . 1.0 109.324 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.2 tp -62.68 -40.74 98.07 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.625 -0.716 . . . . 1.0 109.42 179.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.28 -37.25 85.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.774 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -65.18 -43.39 91.84 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.5 -0.556 . . . . 1.0 109.5 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.3 -23.43 66.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.982 -0.554 . . . . 1.0 109.85 178.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -67.49 -53.24 30.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.474 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -70.12 -36.07 74.56 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.092 0.473 . . . . 1.0 110.348 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 37.3 -117.06 0.15 Allowed 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 115.521 -0.763 . . . . 1.0 111.521 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.8 ptp85 -176.92 38.92 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.886 0.374 . . . . 1.0 110.496 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 79.4 mtp85 -66.6 -39.01 88.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.37 -40.33 96.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.779 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.2 -36.45 79.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.786 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -64.09 -39.97 95.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.357 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.91 16.24 9.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.602 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 43.5 tp -100.19 -35.26 9.71 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.888 0.375 . . . . 1.0 110.475 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 43.78 74.4 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.024 -0.534 . . . . 1.0 111.128 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.4 tp -154.76 58.52 2.05 Favored Pre-proline 0 N--CA 1.464 0.261 0 CA-C-N 116.552 -0.294 . . . . 1.0 111.005 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.82 150.86 83.23 Favored 'Trans proline' 0 N--CA 1.498 1.773 0 C-N-CA 122.777 2.318 . . . . 1.0 112.074 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.442 ' NZ ' ' O ' ' A' ' 39' ' ' ILE . 20.9 tptp -67.41 134.54 51.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.91 -179.431 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -145.65 -39.02 0.24 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.481 -0.327 . . . . 1.0 110.69 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.442 ' O ' ' NZ ' ' A' ' 37' ' ' LYS . 19.4 tt -126.19 132.31 70.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 CA-C-O 120.836 0.35 . . . . 1.0 110.311 179.443 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -163.37 169.93 38.61 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.306 -0.718 . . . . 1.0 111.306 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.4 37.29 21.3 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 111.6 -0.6 . . . . 1.0 111.6 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -62.37 133.19 54.72 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.949 0.404 . . . . 1.0 111.206 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -103.13 72.49 1.17 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.868 -0.605 . . . . 1.0 110.739 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.426 ' O ' ' OE2' ' A' ' 46' ' ' GLU . . . -52.53 172.8 0.34 Allowed Glycine 0 CA--C 1.528 0.864 0 N-CA-C 111.155 -0.778 . . . . 1.0 111.155 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -78.78 114.52 3.45 Favored 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 122.841 2.361 . . . . 1.0 112.143 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.63 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 10.1 mm-40 -91.07 -34.93 0.37 Allowed Pre-proline 0 CA--C 1.539 0.534 0 CA-C-N 115.872 -0.604 . . . . 1.0 111.483 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 46' ' ' GLU . 34.7 Cg_exo -58.62 146.96 89.62 Favored 'Trans proline' 0 N--CA 1.501 1.914 0 C-N-CA 122.429 2.086 . . . . 1.0 112.03 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 88.7 t -90.17 132.08 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.989 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -83.0 47.34 1.21 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.994 -0.548 . . . . 1.0 111.063 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -60.45 -45.05 95.11 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.56 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.435 ' O ' ' OD1' ' A' ' 52' ' ' ASP . . . -70.63 129.45 19.29 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.774 -0.93 . . . . 1.0 110.774 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 51' ' ' GLY . 95.7 m-20 -140.0 -166.21 2.05 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.778 0.323 . . . . 1.0 110.857 -179.507 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 3.1 m0 -89.13 139.96 29.94 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.857 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 55' ' ' LYS . 43.9 tp10 -161.73 -30.8 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.409 -0.36 . . . . 1.0 110.945 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.46 ' CG ' ' H ' ' A' ' 56' ' ' LYS . 29.3 tptt 33.49 -141.1 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.27 -0.423 . . . . 1.0 111.622 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.46 ' H ' ' CG ' ' A' ' 55' ' ' LYS . 26.5 pttm -149.0 152.79 36.92 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 120.848 0.356 . . . . 1.0 110.674 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 59' ' ' ALA . . . 87.64 120.22 1.45 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.645 -0.982 . . . . 1.0 110.645 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.42 ' O ' ' CG1' ' A' ' 58' ' ' ILE . 6.0 tt 37.83 25.34 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 121.037 0.446 . . . . 1.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 57' ' ' GLY . . . -135.28 3.33 3.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.766 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 94.4 mt -64.73 -43.93 96.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.966 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -64.31 -41.73 96.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.42 -0.355 . . . . 1.0 111.572 -179.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 118.072 -0.966 . . . . 1.0 110.689 -179.58 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 121.036 0.445 . . . . 1.0 109.958 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.75 -38.75 58.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.815 -0.63 . . . . 1.0 110.279 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.6 tp -63.47 -44.96 92.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.949 -0.568 . . . . 1.0 109.802 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.0 tpt85 -65.37 -36.15 83.13 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.311 -0.625 . . . . 1.0 109.311 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.27 -41.9 80.56 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.228 -0.656 . . . . 1.0 109.228 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 98.6 mt -62.87 -41.07 99.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.813 -0.63 . . . . 1.0 109.62 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.91 -39.3 93.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.892 -0.595 . . . . 1.0 110.604 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -67.65 -37.84 82.96 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 109.512 -0.551 . . . . 1.0 109.512 179.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.29 -31.33 72.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.87 -0.605 . . . . 1.0 109.8 179.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 . . . . . 0 C--O 1.233 0.23 0 CA-C-N 115.654 -0.703 . . . . 1.0 110.474 179.851 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 . . . . . 0 CA--C 1.523 -0.074 0 CA-C-O 121.042 0.449 . . . . 1.0 109.912 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.48 -24.85 29.25 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.149 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 59.0 tp -62.69 -45.92 90.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.243 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.98 -28.37 60.53 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.451 -0.574 . . . . 1.0 109.451 179.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.25 -43.07 99.05 Favored 'General case' 0 C--O 1.231 0.099 0 N-CA-C 109.351 -0.611 . . . . 1.0 109.351 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 70.4 mt -64.63 -38.15 90.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.622 -0.717 . . . . 1.0 109.558 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.72 -37.24 85.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.899 -0.591 . . . . 1.0 110.359 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.6 -38.57 84.17 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 109.524 -0.547 . . . . 1.0 109.524 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.95 -34.39 77.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.894 -0.594 . . . . 1.0 109.74 178.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 115.692 -0.685 . . . . 1.0 110.428 179.297 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.865 0.364 . . . . 1.0 110.035 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.62 -48.55 79.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.386 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 49.3 mt -63.69 -42.2 98.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.924 -0.58 . . . . 1.0 109.959 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -65.99 -34.64 78.57 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.576 -0.738 . . . . 1.0 109.348 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.24 -40.09 89.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.721 -0.672 . . . . 1.0 109.376 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.3 mt -64.05 -40.34 96.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.708 -0.678 . . . . 1.0 109.684 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.24 -39.48 94.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.295 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -67.77 -32.79 73.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.182 -0.463 . . . . 1.0 109.94 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.26 -36.06 78.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.812 -0.631 . . . . 1.0 109.686 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 115.801 -0.636 . . . . 1.0 109.997 179.673 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 . . . . . 0 C--O 1.23 0.07 0 N-CA-C 109.808 -0.442 . . . . 1.0 109.808 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.04 -39.0 84.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.756 -0.656 . . . . 1.0 110.372 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.8 mt -63.39 -42.98 98.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 1.0 109.946 179.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -66.8 -38.69 86.99 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.981 -0.554 . . . . 1.0 109.606 178.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.14 -38.04 84.97 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 109.393 -0.595 . . . . 1.0 109.393 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.6 tp -61.95 -42.11 98.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.755 -0.657 . . . . 1.0 109.732 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.44 -35.38 80.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.782 -0.644 . . . . 1.0 110.441 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -65.76 -32.26 73.69 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 109.598 -0.519 . . . . 1.0 109.598 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.57 -33.1 69.56 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.839 -0.619 . . . . 1.0 109.725 178.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 . . . . . 0 CA--C 1.53 0.185 0 CA-C-N 115.661 -0.7 . . . . 1.0 110.481 179.515 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 . . . . . 0 C--O 1.233 0.186 0 CA-C-O 121.077 0.465 . . . . 1.0 109.812 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.27 -40.75 97.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.764 -0.653 . . . . 1.0 110.234 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.543 HD22 ' N ' ' A' ' 17' ' ' LEU . 4.1 mm? -63.64 -42.12 98.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.984 -0.553 . . . . 1.0 109.853 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -67.18 -36.84 82.63 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.849 -0.614 . . . . 1.0 109.654 179.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.57 -38.81 78.67 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.262 -0.644 . . . . 1.0 109.262 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.569 ' O ' HD13 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -62.0 -43.09 99.57 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.244 -0.65 . . . . 1.0 109.244 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.21 -38.06 89.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.767 -0.651 . . . . 1.0 110.475 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -67.35 -34.24 76.91 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 109.664 -0.495 . . . . 1.0 109.664 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.91 -36.5 83.57 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.956 -0.566 . . . . 1.0 109.842 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.784 -0.644 . . . . 1.0 110.174 179.736 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 . . . . . 0 C--O 1.233 0.192 0 CA-C-O 121.099 0.476 . . . . 1.0 109.735 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.09 -23.06 31.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.747 -0.66 . . . . 1.0 110.138 179.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.4 ' HG ' ' N ' ' A' ' 18' ' ' ARG . 2.9 pp -62.06 -36.92 83.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.871 -0.604 . . . . 1.0 109.57 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.4 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 77.7 ttt-85 -77.55 -31.18 53.13 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 115.947 -0.569 . . . . 1.0 109.893 179.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.71 -22.81 2.26 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.176 -0.676 . . . . 1.0 109.176 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 88.3 mt -61.3 -25.46 67.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.339 -0.846 . . . . 1.0 109.606 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.04 -35.21 77.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.835 -0.62 . . . . 1.0 110.416 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.88 -32.5 74.05 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.603 -0.517 . . . . 1.0 109.603 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.7 -36.19 83.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.941 -0.572 . . . . 1.0 109.838 179.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 . . . . . 0 C--N 1.331 -0.205 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.228 179.907 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 120.835 0.35 . . . . 1.0 110.228 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.37 -47.94 25.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.139 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.477 HD22 ' N ' ' A' ' 17' ' ' LEU . 4.1 mm? -65.21 -40.53 94.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.073 0.463 . . . . 1.0 110.002 179.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -64.83 -36.43 84.31 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.785 -0.643 . . . . 1.0 109.524 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.69 -40.51 95.24 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.338 -0.616 . . . . 1.0 109.338 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.1 tp -61.59 -39.68 92.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.717 -0.674 . . . . 1.0 109.489 179.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.97 -35.47 81.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.591 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -66.68 -32.87 74.47 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 109.703 -0.48 . . . . 1.0 109.703 179.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.76 -24.97 53.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.109 -0.496 . . . . 1.0 109.769 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 115.684 -0.689 . . . . 1.0 110.258 179.777 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 . . . . . 0 N--CA 1.456 -0.158 0 CA-C-O 120.984 0.421 . . . . 1.0 110.268 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.39 -37.34 86.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.756 -0.657 . . . . 1.0 110.399 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.4 mt -62.78 -42.69 99.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.086 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -64.97 -38.31 90.55 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.193 -0.669 . . . . 1.0 109.193 178.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.24 -45.25 89.0 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.363 -0.606 . . . . 1.0 109.363 178.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.8 tp -62.05 -39.88 93.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.51 -0.768 . . . . 1.0 109.486 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.87 -37.96 88.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.486 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.401 ' C ' ' N ' ' A' ' 24' ' ' GLU . 74.1 mm-40 -69.51 -35.36 75.44 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.69 -0.485 . . . . 1.0 109.69 178.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.79 -19.4 0.96 Allowed 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.011 -0.541 . . . . 1.0 109.747 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 22' ' ' GLU . 98.4 mt-10 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 115.759 -0.655 . . . . 1.0 110.178 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 . . . . . 0 C--O 1.232 0.172 0 CA-C-O 121.051 0.453 . . . . 1.0 110.136 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.418 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -63.88 -30.3 71.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.585 -0.734 . . . . 1.0 110.092 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 46.7 tp -62.95 -46.18 88.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.043 -0.526 . . . . 1.0 109.941 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.408 ' C ' ' N ' ' A' ' 20' ' ' LEU . 75.2 ttt180 -65.21 -35.25 80.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.86 -0.609 . . . . 1.0 109.434 179.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 16' ' ' ALA . . . -49.06 -22.65 0.96 Allowed 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.082 -0.71 . . . . 1.0 109.082 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.408 ' N ' ' C ' ' A' ' 18' ' ' ARG . 62.3 tp -60.82 -37.9 83.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.331 -0.849 . . . . 1.0 109.276 179.287 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.31 -23.38 5.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.655 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -62.79 -29.17 70.51 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.295 -0.632 . . . . 1.0 109.295 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.96 -21.12 10.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.902 -0.59 . . . . 1.0 109.686 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 . . . . . 0 C--N 1.331 -0.22 0 CA-C-N 115.811 -0.631 . . . . 1.0 110.342 179.759 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.955 0.407 . . . . 1.0 110.07 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.12 -39.14 75.63 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.252 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.1 tp -63.27 -45.93 89.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.967 -0.56 . . . . 1.0 109.721 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -64.85 -36.34 84.03 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.834 -0.621 . . . . 1.0 109.716 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.71 -37.08 39.4 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.324 -0.621 . . . . 1.0 109.324 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.2 tp -62.68 -40.74 98.07 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.625 -0.716 . . . . 1.0 109.42 179.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.28 -37.25 85.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.774 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -65.18 -43.39 91.84 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.5 -0.556 . . . . 1.0 109.5 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.3 -23.43 66.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.982 -0.554 . . . . 1.0 109.85 178.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.474 179.8 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 N--CA 1.488 1.463 0 N-CA-C 108.331 -0.989 . . . . 1.0 108.331 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -147.23 144.61 29.01 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 109.808 -0.442 . . . . 1.0 109.808 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -138.27 -35.47 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.624 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 97.9 mmm -127.83 150.88 49.64 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.517 -0.31 . . . . 1.0 110.496 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.437 HG23 ' H ' ' A' ' 5' ' ' THR . 4.7 p -61.91 -48.34 80.89 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.114 0.483 . . . . 1.0 110.554 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 38.34 -121.11 0.25 Allowed 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.549 -0.751 . . . . 1.0 111.355 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -67.88 131.47 45.58 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.596 0.236 . . . . 1.0 110.723 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 92.0 m -123.54 129.15 50.77 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.859 0.361 . . . . 1.0 110.09 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -74.0 158.47 34.3 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.455 -0.572 . . . . 1.0 109.455 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -127.97 138.87 52.78 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.514 -0.55 . . . . 1.0 109.514 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 39.42 71.8 0.16 Allowed 'General case' 0 C--O 1.236 0.342 0 CA-C-N 115.572 -0.74 . . . . 1.0 111.76 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.427 ' HG ' ' H ' ' A' ' 12' ' ' LEU . 11.9 mt -50.71 146.55 9.62 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 115.468 -0.787 . . . . 1.0 110.553 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -67.19 162.45 38.42 Favored 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 122.14 1.893 . . . . 1.0 111.917 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -74.91 46.61 1.55 Allowed 'Trans proline' 0 N--CA 1.492 1.42 0 C-N-CA 122.477 2.118 . . . . 1.0 111.852 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -66.42 -44.9 81.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.974 -0.557 . . . . 1.0 109.958 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.75 -38.75 58.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.815 -0.63 . . . . 1.0 110.279 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.6 tp -63.47 -44.96 92.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.949 -0.568 . . . . 1.0 109.802 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.0 tpt85 -65.37 -36.15 83.13 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.311 -0.625 . . . . 1.0 109.311 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.27 -41.9 80.56 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.228 -0.656 . . . . 1.0 109.228 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 98.6 mt -62.87 -41.07 99.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.813 -0.63 . . . . 1.0 109.62 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.91 -39.3 93.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.892 -0.595 . . . . 1.0 110.604 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -67.65 -37.84 82.96 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 109.512 -0.551 . . . . 1.0 109.512 179.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' A' ' 26' ' ' ARG . . . -64.29 -31.33 72.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.87 -0.605 . . . . 1.0 109.8 179.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.466 ' C ' ' N ' ' A' ' 26' ' ' ARG . 84.0 tt0 -69.39 -38.59 78.07 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.654 -0.703 . . . . 1.0 110.474 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -47.77 -16.8 0.08 Allowed 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.03 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.466 ' N ' ' C ' ' A' ' 24' ' ' GLU . 52.9 ptt85 -142.44 147.23 35.79 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.916 -0.584 . . . . 1.0 111.113 -179.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 88.6 mtm-85 -143.43 153.79 43.02 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 116.064 -0.517 . . . . 1.0 110.198 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -60.67 -42.5 97.17 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.077 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -63.6 -35.66 81.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.923 0.392 . . . . 1.0 110.438 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.59 -35.89 82.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.578 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 26.6 mmtp -67.82 -3.06 8.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.457 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 31' ' ' LYS . . . 75.02 53.84 0.07 Allowed 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.474 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 58.7 tp -151.4 86.23 1.34 Allowed 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.772 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.417 ' O ' ' CB ' ' A' ' 35' ' ' LEU . 67.6 t0 -63.74 -39.12 93.51 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.148 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.417 ' CB ' ' O ' ' A' ' 34' ' ' ASP . 2.9 tp 77.45 57.2 0.2 Allowed Pre-proline 0 CA--C 1.532 0.287 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.398 179.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -67.01 -17.92 51.51 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.389 2.06 . . . . 1.0 112.509 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -61.43 136.36 58.0 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 120.733 0.302 . . . . 1.0 111.257 -179.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -159.99 -40.45 0.05 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.519 -0.31 . . . . 1.0 110.525 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 42.9 pt -69.69 -25.44 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 120.88 0.372 . . . . 1.0 110.604 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.95 175.18 46.53 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 111.645 -0.582 . . . . 1.0 111.645 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -163.47 72.43 0.19 Allowed Glycine 0 CA--C 1.533 1.173 0 N-CA-C 111.651 -0.579 . . . . 1.0 111.651 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 79.6 mtp85 -77.28 148.26 35.83 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.128 0.489 . . . . 1.0 111.664 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -72.35 139.68 48.04 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.926 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -123.35 -162.73 11.57 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 110.805 -0.918 . . . . 1.0 110.805 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -58.07 145.01 93.87 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 123.05 2.5 . . . . 1.0 112.846 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -161.7 80.71 1.97 Allowed Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.982 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -60.0 145.89 97.28 Favored 'Trans proline' 0 N--CA 1.498 1.776 0 C-N-CA 122.54 2.16 . . . . 1.0 111.997 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.451 HG12 ' N ' ' A' ' 49' ' ' ARG . 85.5 t -56.26 157.05 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-N 116.066 -0.516 . . . . 1.0 111.528 -179.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.451 ' N ' HG12 ' A' ' 48' ' ' VAL . 84.9 mtt85 -76.24 65.5 2.2 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.964 -179.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -107.0 142.08 37.19 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.956 -0.566 . . . . 1.0 109.886 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -158.95 159.91 30.71 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.863 -0.895 . . . . 1.0 110.863 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.454 ' OD1' ' O ' ' A' ' 52' ' ' ASP . 47.8 p-10 -147.82 103.65 3.52 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.909 0.385 . . . . 1.0 111.242 -179.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 4.1 m-90 -108.24 136.59 47.64 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.341 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -134.25 55.78 1.88 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.267 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.64 -43.94 95.29 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.909 -0.587 . . . . 1.0 112.053 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.9 pttm -58.19 137.97 56.6 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.824 0.345 . . . . 1.0 110.834 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.53 ' O ' HG22 ' A' ' 60' ' ' ILE . . . 162.39 -160.43 32.65 Favored Glycine 0 CA--C 1.527 0.781 0 N-CA-C 110.981 -0.848 . . . . 1.0 110.981 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.72 -42.88 96.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.964 0.411 . . . . 1.0 110.763 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.99 -10.37 59.62 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.02 -0.536 . . . . 1.0 111.233 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.592 HG23 ' O ' ' A' ' 60' ' ' ILE . 20.6 tt -39.55 109.8 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-O 121.263 0.554 . . . . 1.0 111.165 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -154.79 176.01 13.0 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.721 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 84.6 t80 . . . . . 0 C--O 1.222 -0.369 0 CA-C-O 117.963 -1.018 . . . . 1.0 111.063 179.877 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.3 ttp . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.263 -0.643 . . . . 1.0 109.263 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 86.4 mtm-85 -86.0 133.83 33.89 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.611 -0.515 . . . . 1.0 109.611 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.53 ' OD1' ' N ' ' A' ' 4' ' ' MET . 10.8 t70 -92.02 165.75 13.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.002 -0.545 . . . . 1.0 111.083 -178.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.53 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 28.2 ttt -87.77 -99.82 0.08 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.457 -0.338 . . . . 1.0 111.295 -179.259 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.2 p -62.73 -50.73 69.92 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.015 0.436 . . . . 1.0 110.691 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -65.64 141.77 58.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.605 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -101.33 111.64 23.93 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.425 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 35.6 m -90.44 129.81 36.58 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 109.948 -0.39 . . . . 1.0 109.948 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -138.17 -78.2 0.37 Allowed 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 109.41 -0.589 . . . . 1.0 109.41 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -87.34 -79.72 0.27 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.087 -0.506 . . . . 1.0 109.654 179.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -161.36 -91.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.663 -0.415 . . . . 1.0 111.136 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.3 mt -75.6 147.25 81.49 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.562 -179.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -64.24 140.64 71.91 Favored 'Trans proline' 0 N--CA 1.49 1.276 0 C-N-CA 121.901 1.734 . . . . 1.0 111.959 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -76.08 8.89 2.62 Favored 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 122.47 2.114 . . . . 1.0 111.731 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -66.2 -39.01 89.35 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.153 -0.476 . . . . 1.0 109.912 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.48 -24.85 29.25 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.149 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 59.0 tp -62.69 -45.92 90.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.243 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.98 -28.37 60.53 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.451 -0.574 . . . . 1.0 109.451 179.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.25 -43.07 99.05 Favored 'General case' 0 C--O 1.231 0.099 0 N-CA-C 109.351 -0.611 . . . . 1.0 109.351 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 70.4 mt -64.63 -38.15 90.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.622 -0.717 . . . . 1.0 109.558 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.72 -37.24 85.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.899 -0.591 . . . . 1.0 110.359 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.6 -38.57 84.17 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 109.524 -0.547 . . . . 1.0 109.524 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.95 -34.39 77.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.894 -0.594 . . . . 1.0 109.74 178.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -72.95 -37.27 67.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.692 -0.685 . . . . 1.0 110.428 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -82.66 -17.53 44.24 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.014 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 49.33 67.44 0.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.608 -0.724 . . . . 1.0 111.694 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.9 mmt180 -81.18 144.15 31.84 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.894 0.378 . . . . 1.0 110.332 179.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 79.4 mtp85 -62.0 -31.57 71.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.932 -0.577 . . . . 1.0 111.037 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -60.66 -37.84 82.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.44 -0.345 . . . . 1.0 110.541 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.75 -36.76 83.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.582 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -61.16 -42.15 98.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.458 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.66 -9.27 53.61 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.767 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.7 mt -115.03 10.33 16.2 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.729 0.3 . . . . 1.0 110.272 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -82.55 110.24 17.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.695 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.495 ' H ' HD23 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -84.68 152.17 59.56 Favored Pre-proline 0 CA--C 1.535 0.367 0 CA-C-N 116.666 -0.243 . . . . 1.0 110.923 -179.364 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -66.12 149.89 85.43 Favored 'Trans proline' 0 N--CA 1.498 1.778 0 C-N-CA 122.669 2.246 . . . . 1.0 112.264 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -138.36 -73.83 0.4 Allowed 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.49 -0.323 . . . . 1.0 110.969 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -169.14 -79.63 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 120.712 -0.395 . . . . 1.0 110.579 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 18.3 tt -128.99 134.29 64.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 CA-C-O 120.708 0.29 . . . . 1.0 110.347 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -155.19 163.29 31.41 Favored Glycine 0 CA--C 1.529 0.936 0 N-CA-C 111.242 -0.743 . . . . 1.0 111.242 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 60.7 105.3 0.01 OUTLIER Glycine 0 CA--C 1.531 1.085 0 N-CA-C 111.758 -0.537 . . . . 1.0 111.758 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 45.96 83.94 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.82 0.343 . . . . 1.0 111.651 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -74.36 64.0 1.09 Allowed 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.807 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.575 ' N ' ' CD ' ' A' ' 45' ' ' PRO . . . -85.48 -44.89 6.0 Favored Glycine 0 CA--C 1.529 0.935 0 N-CA-C 111.125 -0.79 . . . . 1.0 111.125 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 44' ' ' GLY . 37.9 Cg_exo -59.59 145.41 98.14 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 123.192 2.595 . . . . 1.0 112.748 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -39.61 151.15 0.23 Allowed Pre-proline 0 CA--C 1.535 0.404 0 CA-C-N 115.601 -0.727 . . . . 1.0 111.246 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.428 ' O ' ' O ' ' A' ' 48' ' ' VAL . 43.6 Cg_endo -66.98 -20.85 50.5 Favored 'Trans proline' 0 N--CA 1.501 1.964 0 C-N-CA 122.815 2.343 . . . . 1.0 112.17 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' A' ' 47' ' ' PRO . 46.9 t 52.98 113.36 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-O 120.885 0.374 . . . . 1.0 111.442 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -133.48 67.02 1.54 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.925 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -133.61 58.79 1.76 Allowed 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.175 -0.466 . . . . 1.0 109.846 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -74.49 -149.73 1.88 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.306 -0.718 . . . . 1.0 111.306 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -84.29 77.18 10.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.666 0.27 . . . . 1.0 111.274 -179.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 98.9 m95 36.99 80.95 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.167 -0.47 . . . . 1.0 111.22 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -154.23 135.58 14.13 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-O 121.528 0.68 . . . . 1.0 111.488 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.7 mttp 51.74 76.42 0.17 Allowed 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.194 -0.912 . . . . 1.0 111.887 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 66.5 tttm -137.26 126.51 24.7 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 120.827 0.346 . . . . 1.0 110.463 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -89.42 -175.95 46.03 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 110.876 -0.89 . . . . 1.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 19.9 tt -104.08 132.07 51.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-O 121.135 0.493 . . . . 1.0 110.79 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.568 ' C ' ' H ' ' A' ' 61' ' ' ASP . . . 48.25 20.78 0.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.757 -0.656 . . . . 1.0 111.223 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.596 HG22 ' O ' ' A' ' 60' ' ' ILE . 95.0 mt 52.81 2.3 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-O 120.933 0.397 . . . . 1.0 111.143 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.568 ' H ' ' C ' ' A' ' 59' ' ' ALA . 37.2 t70 -65.62 137.66 57.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.505 -0.316 . . . . 1.0 111.202 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.092 -0.956 . . . . 1.0 111.02 -179.871 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtt . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.88 -0.415 . . . . 1.0 109.88 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -62.46 -42.54 99.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.135 0.493 . . . . 1.0 109.685 179.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 48.08 -115.28 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.611 -0.722 . . . . 1.0 110.957 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.4 ' O ' ' N ' ' A' ' 6' ' ' GLU . 94.7 mtp 37.79 45.52 0.67 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.135 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.4 m 64.02 -79.11 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.22 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 4' ' ' MET . 80.4 mm-40 36.91 41.64 0.19 Allowed 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.543 -0.299 . . . . 1.0 111.467 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -70.63 124.73 24.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.957 0.408 . . . . 1.0 110.695 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.0 p -142.49 176.24 9.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.219 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.3 mmm-85 -59.22 -26.36 64.79 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.23 -0.655 . . . . 1.0 109.23 178.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.4 mttt 57.79 86.89 0.07 Allowed 'General case' 0 CA--C 1.521 -0.14 0 CA-C-O 121.302 0.572 . . . . 1.0 110.231 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -81.25 -171.54 3.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.233 -0.894 . . . . 1.0 111.36 -179.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.2 pp -47.17 147.49 2.5 Favored Pre-proline 0 CA--C 1.536 0.424 0 CA-C-N 115.603 -0.726 . . . . 1.0 110.549 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -63.11 130.7 29.75 Favored 'Trans proline' 0 N--CA 1.502 2.014 0 C-N-CA 122.264 1.976 . . . . 1.0 111.79 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -77.37 3.19 6.97 Favored 'Trans proline' 0 N--CA 1.494 1.557 0 C-N-CA 122.052 1.835 . . . . 1.0 111.879 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -58.26 -35.3 71.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.035 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.62 -48.55 79.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.386 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 49.3 mt -63.69 -42.2 98.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.924 -0.58 . . . . 1.0 109.959 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -65.99 -34.64 78.57 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.576 -0.738 . . . . 1.0 109.348 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.24 -40.09 89.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.721 -0.672 . . . . 1.0 109.376 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.3 mt -64.05 -40.34 96.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.708 -0.678 . . . . 1.0 109.684 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.24 -39.48 94.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.295 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -67.77 -32.79 73.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.182 -0.463 . . . . 1.0 109.94 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.26 -36.06 78.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.812 -0.631 . . . . 1.0 109.686 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -67.38 -44.08 79.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.801 -0.636 . . . . 1.0 109.997 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' A' ' 26' ' ' ARG . 96.7 mt-10 -68.57 -34.08 75.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.109 -0.496 . . . . 1.0 109.919 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.448 ' O ' ' O ' ' A' ' 25' ' ' GLU . 33.6 ptt180 37.45 -163.16 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.734 -0.666 . . . . 1.0 111.479 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -100.88 91.59 4.66 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.575 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -66.66 -36.07 81.66 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.91 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.0 ptp180 -61.05 -23.47 65.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.829 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.97 -34.94 79.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.676 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -59.53 -41.61 90.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.568 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.57 6.76 22.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.449 -0.342 . . . . 1.0 110.828 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 47.0 tp -145.87 82.7 1.63 Allowed 'General case' 0 N--CA 1.463 0.225 0 N-CA-C 109.771 -0.455 . . . . 1.0 109.771 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.486 ' OD1' ' N ' ' A' ' 34' ' ' ASP . 21.9 p-10 -93.15 3.88 54.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.803 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 32.4 mt -126.1 61.21 39.58 Favored Pre-proline 0 N--CA 1.47 0.564 0 CA-C-N 116.454 -0.339 . . . . 1.0 111.102 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.84 -16.09 45.18 Favored 'Trans proline' 0 N--CA 1.498 1.768 0 C-N-CA 122.626 2.217 . . . . 1.0 112.367 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -68.3 145.51 54.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.701 0.286 . . . . 1.0 110.366 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -119.81 44.56 2.37 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.919 0.39 . . . . 1.0 110.19 179.776 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 90.3 mt 55.02 -82.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.53 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 38' ' ' GLU . . . 79.32 -173.6 55.24 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.427 -0.669 . . . . 1.0 111.427 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' A' ' 42' ' ' ARG . . . 150.52 38.87 0.03 OUTLIER Glycine 0 CA--C 1.527 0.83 0 N-CA-C 111.282 -0.727 . . . . 1.0 111.282 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.472 ' O ' ' O ' ' A' ' 41' ' ' GLY . 75.2 ttt180 39.02 101.84 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.092 0.472 . . . . 1.0 111.539 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -67.56 119.59 12.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.699 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.97 -162.62 38.67 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.048 -0.821 . . . . 1.0 111.048 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -47.96 170.41 0.06 OUTLIER 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 122.866 2.378 . . . . 1.0 112.347 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.433 ' O ' ' O ' ' A' ' 47' ' ' PRO . 6.5 tp10 -116.69 85.43 16.98 Favored Pre-proline 0 N--CA 1.47 0.552 0 CA-C-N 115.968 -0.56 . . . . 1.0 111.004 -179.078 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.433 ' O ' ' O ' ' A' ' 46' ' ' GLU . 50.6 Cg_exo -53.03 -158.81 0.0 OUTLIER 'Trans proline' 0 N--CA 1.497 1.714 0 C-N-CA 122.595 2.196 . . . . 1.0 112.601 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.72 132.8 19.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.949 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 34.2 ptt-85 -137.23 10.67 3.02 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -102.62 128.73 49.17 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.578 -0.283 . . . . 1.0 110.595 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -147.46 111.27 0.54 Allowed Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.906 -0.878 . . . . 1.0 110.906 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -83.22 166.91 18.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.863 0.363 . . . . 1.0 111.022 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -70.78 171.17 11.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.797 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -67.12 -106.79 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.681 -0.69 . . . . 1.0 110.798 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 44.3 tttp 47.37 27.54 0.92 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.471 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -141.1 156.05 46.04 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.788 0.328 . . . . 1.0 110.421 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.58 ' C ' ' H ' ' A' ' 59' ' ' ALA . . . 95.61 -145.5 17.79 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.772 -0.931 . . . . 1.0 110.772 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.557 HG22 ' O ' ' A' ' 58' ' ' ILE . 92.2 mt 57.33 -2.75 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 CA-C-O 120.748 0.309 . . . . 1.0 110.908 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.58 ' H ' ' C ' ' A' ' 57' ' ' GLY . . . -151.97 9.96 0.52 Allowed 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.601 -0.272 . . . . 1.0 110.64 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.427 ' C ' ' O ' ' A' ' 59' ' ' ALA . 31.4 pt 32.08 53.31 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-O 121.191 0.519 . . . . 1.0 111.631 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -64.95 142.64 58.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.733 -0.667 . . . . 1.0 110.865 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 93.5 t80 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.026 -0.988 . . . . 1.0 110.417 -179.786 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.1 mtp . . . . . 0 N--CA 1.487 1.414 0 N-CA-C 108.517 -0.92 . . . . 1.0 108.517 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -93.8 136.93 33.57 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 109.548 -0.538 . . . . 1.0 109.548 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 50.4 p30 -82.42 152.27 26.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.745 -0.662 . . . . 1.0 110.985 -179.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 52.0 ttp -163.39 -34.04 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.645 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 72.3 p -132.69 160.53 36.47 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 120.953 0.406 . . . . 1.0 110.545 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -161.51 163.71 30.08 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.639 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.514 ' OE1' ' N ' ' A' ' 7' ' ' GLU . 56.2 mp0 -87.51 114.07 23.78 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 116.548 -0.296 . . . . 1.0 110.667 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.0 m -123.89 129.51 51.11 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 109.96 -0.385 . . . . 1.0 109.96 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -86.45 63.49 8.02 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 108.978 -0.749 . . . . 1.0 108.978 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -63.37 -40.19 96.59 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.51 -0.768 . . . . 1.0 109.956 -179.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -114.64 -178.14 3.3 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.206 0.527 . . . . 1.0 111.651 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.0 mt -60.38 147.28 82.61 Favored Pre-proline 0 CA--C 1.533 0.299 0 CA-C-N 115.506 -0.77 . . . . 1.0 110.414 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -38.81 102.57 0.04 OUTLIER 'Trans proline' 0 C--N 1.316 -1.183 0 C-N-CA 122.411 2.074 . . . . 1.0 112.034 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -82.14 0.15 9.95 Favored 'Trans proline' 0 C--N 1.314 -1.284 0 C-N-CA 122.536 2.157 . . . . 1.0 111.825 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -56.4 -29.11 61.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.0 -0.546 . . . . 1.0 109.808 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.04 -39.0 84.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.756 -0.656 . . . . 1.0 110.372 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.8 mt -63.39 -42.98 98.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 1.0 109.946 179.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -66.8 -38.69 86.99 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.981 -0.554 . . . . 1.0 109.606 178.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.14 -38.04 84.97 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 109.393 -0.595 . . . . 1.0 109.393 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.6 tp -61.95 -42.11 98.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.755 -0.657 . . . . 1.0 109.732 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.408 ' O ' ' OE1' ' A' ' 25' ' ' GLU . . . -64.44 -35.38 80.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.782 -0.644 . . . . 1.0 110.441 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -65.76 -32.26 73.69 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 109.598 -0.519 . . . . 1.0 109.598 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.57 -33.1 69.56 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.839 -0.619 . . . . 1.0 109.725 178.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -69.79 -40.79 75.79 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.661 -0.7 . . . . 1.0 110.481 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.408 ' OE1' ' O ' ' A' ' 21' ' ' ALA . 2.2 mp0 -68.79 -35.56 77.18 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.107 179.273 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -44.76 124.24 4.21 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.53 -0.759 . . . . 1.0 111.705 -178.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.0 tpp85 -157.35 50.15 0.45 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.614 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -69.76 -19.64 63.52 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.027 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -67.24 -22.15 65.71 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.618 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.07 -23.58 22.51 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.817 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -62.3 -44.84 95.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.457 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.47 12.43 6.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.597 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 49.7 tp -155.16 104.52 2.45 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.396 -0.366 . . . . 1.0 110.803 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 44.1 p-10 -69.96 142.14 52.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.052 -0.522 . . . . 1.0 111.228 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.583 ' O ' HD12 ' A' ' 35' ' ' LEU . 0.3 OUTLIER -43.41 153.29 0.38 Allowed Pre-proline 0 CA--C 1.536 0.433 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.291 -179.235 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -65.96 -20.2 57.74 Favored 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 122.214 1.943 . . . . 1.0 112.565 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -72.88 -171.66 0.9 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.653 -0.249 . . . . 1.0 110.945 -179.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -142.21 -162.67 1.45 Allowed 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 110.031 -0.359 . . . . 1.0 110.031 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 42.6 pt -96.38 -5.74 9.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-O 120.783 0.325 . . . . 1.0 110.464 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 63.99 -134.88 40.35 Favored Glycine 0 CA--C 1.527 0.824 0 CA-C-N 115.986 -0.552 . . . . 1.0 111.819 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.97 153.39 8.9 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.34 -0.704 . . . . 1.0 111.34 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -76.36 -19.62 58.0 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 111.978 0.362 . . . . 1.0 111.978 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -94.73 144.15 25.86 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.832 0.349 . . . . 1.0 110.733 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 165.27 -72.29 0.18 Allowed Glycine 0 CA--C 1.528 0.848 0 N-CA-C 110.963 -0.855 . . . . 1.0 110.963 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -64.97 -23.83 61.08 Favored 'Trans proline' 0 N--CA 1.497 1.708 0 C-N-CA 123.006 2.471 . . . . 1.0 112.568 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 33.99 62.45 1.83 Allowed Pre-proline 0 CA--C 1.535 0.396 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.975 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -68.63 149.14 73.54 Favored 'Trans proline' 0 N--CA 1.496 1.668 0 C-N-CA 122.521 2.147 . . . . 1.0 111.959 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.518 HG23 ' H ' ' A' ' 49' ' ' ARG . 0.9 OUTLIER -73.22 -95.29 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-N 116.061 -0.518 . . . . 1.0 111.825 -179.337 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.518 ' H ' HG23 ' A' ' 48' ' ' VAL . 24.9 mmt180 48.58 58.47 5.21 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.006 0.431 . . . . 1.0 111.087 -179.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -104.92 7.77 34.37 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.093 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.85 68.98 1.7 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.1 -0.8 . . . . 1.0 111.1 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -71.63 142.92 49.94 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 120.962 0.411 . . . . 1.0 111.59 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 91.8 t90 -78.34 110.77 13.67 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.846 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -171.45 37.29 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 120.901 0.382 . . . . 1.0 111.28 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' A' ' 56' ' ' LYS . 54.7 mtpt -63.08 -44.65 95.19 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.916 -0.583 . . . . 1.0 112.083 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' A' ' 55' ' ' LYS . 68.9 mttm 39.71 -163.23 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.821 0.343 . . . . 1.0 110.813 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -87.46 -175.42 48.63 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.53 -43.4 98.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.831 0.348 . . . . 1.0 110.511 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -150.06 -50.37 0.14 Allowed 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.491 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.414 HG23 ' N ' ' A' ' 61' ' ' ASP . 20.9 tt -154.88 -39.35 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 C-N-CA 120.834 -0.346 . . . . 1.0 111.284 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.467 ' CG ' ' N ' ' A' ' 62' ' ' PHE . 34.4 t70 58.73 174.35 0.07 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.469 179.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.467 ' N ' ' CG ' ' A' ' 61' ' ' ASP . 87.6 t80 . . . . . 0 C--O 1.222 -0.379 0 CA-C-O 117.958 -1.02 . . . . 1.0 111.13 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.0 ptt? . . . . . 0 N--CA 1.487 1.386 0 N-CA-C 109.406 -0.59 . . . . 1.0 109.406 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 17.8 tpt180 -73.93 131.21 41.22 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.519 -0.549 . . . . 1.0 109.519 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -136.98 54.71 1.85 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.135 0.493 . . . . 1.0 110.746 -179.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 91.3 mtp -64.85 -39.92 94.34 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.85 -0.614 . . . . 1.0 110.99 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 86.1 m -144.4 119.53 10.1 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 110.146 -0.316 . . . . 1.0 110.146 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -162.49 120.04 2.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.078 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.463 ' N ' ' CD ' ' A' ' 7' ' ' GLU . 1.6 pm0 -162.1 60.06 0.24 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.944 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 9' ' ' ARG . 11.6 m -63.56 -42.29 98.35 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.472 -0.331 . . . . 1.0 110.722 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.409 ' O ' ' O ' ' A' ' 8' ' ' THR . 35.0 ttm180 62.03 131.03 0.01 OUTLIER 'General case' 0 C--O 1.232 0.179 0 N-CA-C 109.654 -0.499 . . . . 1.0 109.654 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -88.76 61.46 6.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.529 0.681 . . . . 1.0 110.604 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.55 ' CG ' ' H ' ' A' ' 12' ' ' LEU . 25.5 t0 38.96 -157.49 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 114.918 -1.037 . . . . 1.0 111.747 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.55 ' H ' ' CG ' ' A' ' 11' ' ' ASP . 21.2 mt -110.89 99.19 41.5 Favored Pre-proline 0 CA--C 1.534 0.34 0 CA-C-N 116.033 -0.531 . . . . 1.0 109.942 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.478 ' N ' ' CD ' ' A' ' 14' ' ' PRO . 26.4 Cg_exo -53.17 -44.08 51.86 Favored 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 122.187 1.925 . . . . 1.0 112.391 178.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 13' ' ' PRO . 92.5 Cg_endo -83.53 42.08 1.18 Allowed 'Trans proline' 0 C--N 1.318 -1.039 0 C-N-CA 122.25 1.967 . . . . 1.0 112.005 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -66.62 -38.91 87.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.937 -0.574 . . . . 1.0 109.812 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.27 -40.75 97.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.764 -0.653 . . . . 1.0 110.234 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.543 ' N ' HD22 ' A' ' 17' ' ' LEU . 4.1 mm? -63.64 -42.12 98.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.984 -0.553 . . . . 1.0 109.853 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -67.18 -36.84 82.63 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.849 -0.614 . . . . 1.0 109.654 179.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.57 -38.81 78.67 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.262 -0.644 . . . . 1.0 109.262 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.569 HD13 ' O ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -62.0 -43.09 99.57 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.244 -0.65 . . . . 1.0 109.244 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.21 -38.06 89.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.767 -0.651 . . . . 1.0 110.475 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -67.35 -34.24 76.91 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 109.664 -0.495 . . . . 1.0 109.664 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.91 -36.5 83.57 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.956 -0.566 . . . . 1.0 109.842 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.75 -38.98 90.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.784 -0.644 . . . . 1.0 110.174 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -66.18 -34.4 77.96 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 109.881 -0.415 . . . . 1.0 109.881 179.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 57.5 ttm-85 70.43 52.01 0.35 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.374 -0.83 . . . . 1.0 111.691 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.9 mmt85 -133.37 19.03 3.98 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 120.694 0.283 . . . . 1.0 110.395 178.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -65.02 -39.54 93.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.308 -0.405 . . . . 1.0 111.109 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -64.5 -38.86 92.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.698 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.31 -41.09 97.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.793 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.25 -41.72 99.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.353 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.77 -23.88 67.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.433 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.459 HD13 ' H ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -140.12 85.13 2.0 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.202 0.525 . . . . 1.0 110.671 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.436 ' O ' ' CB ' ' A' ' 35' ' ' LEU . 43.7 t0 -68.89 -26.09 64.93 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.799 -0.637 . . . . 1.0 111.086 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.459 ' H ' HD13 ' A' ' 33' ' ' LEU . 1.8 tt 79.5 74.43 0.14 Allowed Pre-proline 0 N--CA 1.467 0.413 0 CA-C-O 121.08 0.467 . . . . 1.0 110.972 179.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -60.65 146.58 96.9 Favored 'Trans proline' 0 N--CA 1.497 1.725 0 C-N-CA 122.738 2.292 . . . . 1.0 112.152 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -58.8 132.4 53.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.134 -0.485 . . . . 1.0 111.199 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -156.34 -20.18 0.1 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.609 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.487 HG23 ' N ' ' A' ' 40' ' ' GLY . 20.7 tt -66.76 -41.06 87.38 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-O 120.817 0.341 . . . . 1.0 110.546 179.416 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.487 ' N ' HG23 ' A' ' 39' ' ' ILE . . . -67.37 163.12 46.34 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.768 -0.533 . . . . 1.0 111.768 -179.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.26 58.5 6.02 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.533 -0.627 . . . . 1.0 111.533 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -73.17 147.05 45.14 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.854 0.359 . . . . 1.0 111.494 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -98.52 142.37 30.21 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.863 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -162.42 57.31 0.29 Allowed Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.004 -0.839 . . . . 1.0 111.004 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -74.07 155.22 47.58 Favored 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 123.133 2.556 . . . . 1.0 112.579 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.649 ' CD ' ' H ' ' A' ' 46' ' ' GLU . 2.0 pm0 -52.89 150.7 9.56 Favored Pre-proline 0 CA--C 1.538 0.512 0 CA-C-N 115.55 -0.75 . . . . 1.0 111.228 -179.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -67.16 150.98 82.06 Favored 'Trans proline' 0 N--CA 1.498 1.791 0 C-N-CA 122.813 2.342 . . . . 1.0 112.158 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.544 ' O ' ' N ' ' A' ' 50' ' ' PHE . 2.7 t -81.63 47.05 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 116.226 -0.443 . . . . 1.0 111.505 -179.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 56.59 -73.15 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.509 -0.314 . . . . 1.0 111.313 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.544 ' N ' ' O ' ' A' ' 48' ' ' VAL . 93.1 m-85 -62.85 -42.85 99.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.809 0.338 . . . . 1.0 110.359 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.63 -157.88 44.46 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.385 -0.686 . . . . 1.0 111.385 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 53.3 p30 -83.51 173.04 11.8 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.707 0.289 . . . . 1.0 111.18 -179.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 4.0 m0 -101.06 144.84 29.49 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.592 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -139.12 38.26 2.12 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.824 0.345 . . . . 1.0 111.225 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -63.83 -41.58 97.81 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.8 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -68.83 143.92 54.43 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 120.821 -0.352 . . . . 1.0 110.716 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -130.45 -147.8 6.23 Favored Glycine 0 N--CA 1.467 0.702 0 N-CA-C 111.002 -0.839 . . . . 1.0 111.002 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.49 HG23 ' N ' ' A' ' 59' ' ' ALA . 20.9 tt -66.45 -41.18 88.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-O 120.733 0.301 . . . . 1.0 110.605 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.565 ' C ' ' H ' ' A' ' 61' ' ' ASP . . . -134.87 28.48 3.53 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.743 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.521 HG22 ' O ' ' A' ' 60' ' ' ILE . 90.7 mt 57.27 -3.28 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 116.337 -0.392 . . . . 1.0 111.131 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.565 ' H ' ' C ' ' A' ' 59' ' ' ALA . 36.5 p30 -174.19 -115.24 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.678 -0.237 . . . . 1.0 110.705 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.47 ' H ' ' CG ' ' A' ' 61' ' ' ASP . 85.9 t80 . . . . . 0 N--CA 1.469 0.48 0 CA-C-O 118.092 -0.956 . . . . 1.0 110.931 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.1 mmm . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.171 -0.677 . . . . 1.0 109.171 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -65.57 -36.9 85.12 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.563 -0.532 . . . . 1.0 109.563 178.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -88.47 102.34 14.81 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.443 -0.799 . . . . 1.0 110.746 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 61.8 ttp -148.25 127.7 13.15 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.256 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 54.7 m 43.86 92.56 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.756 0.313 . . . . 1.0 110.404 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -133.44 9.87 4.03 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.15 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -138.16 132.44 31.93 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 120.838 0.351 . . . . 1.0 110.2 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 87.8 m -130.47 130.82 44.71 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.535 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 -65.08 -93.17 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.07 0.462 . . . . 1.0 110.432 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -57.73 102.72 0.1 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.984 -0.553 . . . . 1.0 109.577 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.438 ' C ' HD12 ' A' ' 12' ' ' LEU . 48.7 t0 -150.93 150.34 30.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.771 -0.65 . . . . 1.0 110.752 -179.082 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.438 HD12 ' C ' ' A' ' 11' ' ' ASP . 9.4 mp -109.31 99.53 36.96 Favored Pre-proline 0 CA--C 1.539 0.539 0 CA-C-N 116.1 -0.5 . . . . 1.0 109.764 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -77.01 144.15 23.61 Favored 'Trans proline' 0 N--CA 1.489 1.252 0 C-N-CA 121.58 1.52 . . . . 1.0 112.019 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.432 ' C ' ' N ' ' A' ' 16' ' ' ALA . 72.9 Cg_endo -74.38 -160.97 0.11 Allowed 'Trans proline' 0 N--CA 1.496 1.645 0 C-N-CA 122.438 2.092 . . . . 1.0 112.196 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -50.37 -17.23 0.43 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.069 -0.514 . . . . 1.0 109.735 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.432 ' N ' ' C ' ' A' ' 14' ' ' PRO . . . -56.09 -23.06 31.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.747 -0.66 . . . . 1.0 110.138 179.11 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.4 ' HG ' ' N ' ' A' ' 18' ' ' ARG . 2.9 pp -62.06 -36.92 83.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.871 -0.604 . . . . 1.0 109.57 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.4 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 77.7 ttt-85 -77.55 -31.18 53.13 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 115.947 -0.569 . . . . 1.0 109.893 179.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.71 -22.81 2.26 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.176 -0.676 . . . . 1.0 109.176 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 88.3 mt -61.3 -25.46 67.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.339 -0.846 . . . . 1.0 109.606 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.04 -35.21 77.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.835 -0.62 . . . . 1.0 110.416 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.88 -32.5 74.05 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.603 -0.517 . . . . 1.0 109.603 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 26' ' ' ARG . . . -64.7 -36.19 83.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.941 -0.572 . . . . 1.0 109.838 179.002 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -56.97 -34.18 67.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.228 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -63.57 -41.22 98.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.047 0.451 . . . . 1.0 110.134 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.411 ' O ' ' O ' ' A' ' 23' ' ' ALA . 77.9 ttt180 -94.91 137.28 34.17 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.743 -0.662 . . . . 1.0 111.248 -179.351 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.445 ' HE ' ' HB2' ' A' ' 30' ' ' ALA . 56.1 ttp180 60.02 62.94 1.53 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.91 -0.587 . . . . 1.0 110.71 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -61.51 -30.05 70.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.721 -0.672 . . . . 1.0 111.125 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 33' ' ' LEU . 54.7 ptt85 -60.48 -14.64 20.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.452 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.445 ' HB2' ' HE ' ' A' ' 27' ' ' ARG . . . -56.75 -39.9 74.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.915 -179.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -81.37 -3.98 54.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.553 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' A' ' 33' ' ' LEU . . . -123.8 -84.84 0.65 Allowed 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 109.647 -0.501 . . . . 1.0 109.647 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.498 ' CB ' ' O ' ' A' ' 32' ' ' ALA . 3.0 tp 86.49 -33.85 0.04 OUTLIER 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.825 -0.435 . . . . 1.0 109.825 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.453 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 29.6 p-10 -173.31 92.6 0.1 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.774 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.605 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -78.55 -38.76 1.53 Allowed Pre-proline 0 CA--C 1.535 0.386 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.644 -179.832 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 35' ' ' LEU . 44.8 Cg_exo -54.63 -41.17 80.05 Favored 'Trans proline' 0 N--CA 1.498 1.775 0 C-N-CA 122.316 2.011 . . . . 1.0 112.557 -178.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 84.9 tttt 34.48 75.98 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.698 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -151.03 -49.28 0.12 Allowed 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.566 -0.288 . . . . 1.0 110.632 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.496 HG23 ' N ' ' A' ' 40' ' ' GLY . 20.7 tt -66.74 -41.78 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 120.777 0.322 . . . . 1.0 110.466 179.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.496 ' N ' HG23 ' A' ' 39' ' ' ILE . . . 78.52 -162.04 48.89 Favored Glycine 0 CA--C 1.529 0.953 0 N-CA-C 111.761 -0.535 . . . . 1.0 111.761 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -170.7 -167.82 31.6 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.202 -0.759 . . . . 1.0 111.202 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 92.3 mtm-85 -75.51 142.43 42.85 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.075 0.464 . . . . 1.0 111.404 -179.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 37.6 m-20 56.7 35.76 26.64 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.74 -0.664 . . . . 1.0 110.926 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.536 ' O ' ' N ' ' A' ' 46' ' ' GLU . . . -75.16 179.83 44.84 Favored Glycine 0 CA--C 1.528 0.866 0 N-CA-C 111.027 -0.829 . . . . 1.0 111.027 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_exo -42.97 82.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.473 0 C-N-CA 123.053 2.502 . . . . 1.0 112.473 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.58 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 12.0 tt0 -99.21 -36.78 0.24 Allowed Pre-proline 0 CA--C 1.538 0.489 0 CA-C-N 115.874 -0.603 . . . . 1.0 111.298 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 46' ' ' GLU . 70.4 Cg_endo -80.51 -35.5 0.58 Allowed 'Trans proline' 0 N--CA 1.494 1.514 0 C-N-CA 121.893 1.728 . . . . 1.0 112.537 -179.111 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.413 ' C ' ' O ' ' A' ' 47' ' ' PRO . 26.1 t 31.34 90.28 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.802 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 84.5 mtp180 -85.08 17.57 2.9 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.615 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 43.69 86.04 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.695 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -80.34 178.23 53.98 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 111.21 -0.756 . . . . 1.0 111.21 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.454 ' OD1' ' O ' ' A' ' 52' ' ' ASP . 47.1 p-10 -91.59 113.58 25.88 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.148 0.499 . . . . 1.0 111.191 -179.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 90.8 t90 -135.1 126.2 27.9 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.583 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -166.12 75.98 0.21 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 120.902 0.382 . . . . 1.0 110.937 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.4 tttt 51.07 83.06 0.05 Allowed 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.015 -0.539 . . . . 1.0 111.703 178.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -75.68 145.0 41.31 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.378 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.548 ' O ' HG23 ' A' ' 60' ' ' ILE . . . 167.27 -167.93 40.16 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 21.2 tt -77.04 -26.82 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.898 0.38 . . . . 1.0 110.883 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.05 19.45 0.23 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.947 -0.57 . . . . 1.0 111.588 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.548 HG23 ' O ' ' A' ' 57' ' ' GLY . 2.4 pp -81.06 -13.98 12.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.836 0.351 . . . . 1.0 110.896 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -63.24 -39.44 94.61 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.3 -179.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.064 -0.969 . . . . 1.0 110.829 -179.542 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.3 mtt . . . . . 0 N--CA 1.487 1.38 0 N-CA-C 108.323 -0.991 . . . . 1.0 108.323 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -144.98 139.43 27.49 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.965 0.412 . . . . 1.0 110.025 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -97.71 108.05 20.68 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.949 -179.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 62.9 ttp -90.65 -62.01 1.55 Allowed 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.87 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.4 p -69.6 -37.13 76.79 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.0 0.429 . . . . 1.0 110.426 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -87.64 154.73 20.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.772 -0.649 . . . . 1.0 110.747 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -68.25 148.52 50.69 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.573 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.7 m -64.26 135.16 55.98 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.495 -0.321 . . . . 1.0 110.161 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.423 ' H ' ' HD2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -77.65 171.44 14.93 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.773 -0.454 . . . . 1.0 109.773 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -136.27 134.29 37.86 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.438 -0.579 . . . . 1.0 109.438 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.536 ' CG ' ' H ' ' A' ' 12' ' ' LEU . 18.1 t0 -76.81 -146.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.608 -0.723 . . . . 1.0 111.895 -178.014 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.536 ' H ' ' CG ' ' A' ' 11' ' ' ASP . 4.2 mm? -110.08 99.02 37.64 Favored Pre-proline 0 CA--C 1.532 0.269 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.123 -179.364 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -50.52 109.25 0.28 Allowed 'Trans proline' 0 C--N 1.312 -1.354 0 C-N-CA 122.041 1.827 . . . . 1.0 111.928 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -77.55 173.06 14.78 Favored 'Trans proline' 0 C--N 1.313 -1.297 0 C-N-CA 122.497 2.131 . . . . 1.0 112.557 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -52.82 -33.57 49.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.583 -0.735 . . . . 1.0 110.228 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.37 -47.94 25.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.139 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.477 HD22 ' N ' ' A' ' 17' ' ' LEU . 4.1 mm? -65.21 -40.53 94.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.073 0.463 . . . . 1.0 110.002 179.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -64.83 -36.43 84.31 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.785 -0.643 . . . . 1.0 109.524 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.69 -40.51 95.24 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.338 -0.616 . . . . 1.0 109.338 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.1 tp -61.59 -39.68 92.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.717 -0.674 . . . . 1.0 109.489 179.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.97 -35.47 81.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.591 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -66.68 -32.87 74.47 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 109.703 -0.48 . . . . 1.0 109.703 179.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.76 -24.97 53.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.109 -0.496 . . . . 1.0 109.769 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -60.7 -33.7 73.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.684 -0.689 . . . . 1.0 110.258 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -60.09 -39.3 85.65 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.215 -0.448 . . . . 1.0 109.986 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -96.36 111.18 23.36 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.844 -0.616 . . . . 1.0 111.245 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -43.3 99.13 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.479 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.0 mmt85 -59.03 -43.45 91.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.956 -178.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.8 tpp85 -60.59 -45.14 95.1 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.272 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.42 -37.28 68.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.893 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -63.84 -39.34 93.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.473 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.31 -37.36 85.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.786 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.0 mt -126.22 62.45 1.26 Allowed 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.84 0.352 . . . . 1.0 110.218 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.499 ' O ' ' C ' ' A' ' 35' ' ' LEU . 46.9 t0 -62.82 -45.74 91.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.889 -0.596 . . . . 1.0 111.283 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.499 ' C ' ' O ' ' A' ' 34' ' ' ASP . 0.3 OUTLIER -16.93 84.09 0.03 OUTLIER Pre-proline 0 N--CA 1.473 0.7 0 O-C-N 123.831 0.707 . . . . 1.0 112.107 -179.295 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.475 ' N ' ' O ' ' A' ' 34' ' ' ASP . 56.1 Cg_endo -77.58 -8.41 17.07 Favored 'Trans proline' 0 C--N 1.315 -1.23 0 C-N-CA 122.817 2.345 . . . . 1.0 112.491 -178.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.42 ' NZ ' HD12 ' A' ' 35' ' ' LEU . 63.5 mttp 55.78 75.24 0.34 Allowed 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.167 -0.47 . . . . 1.0 111.83 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -144.69 165.57 27.68 Favored 'General case' 0 C--N 1.341 0.212 0 N-CA-C 109.855 -0.424 . . . . 1.0 109.855 179.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.96 -19.33 21.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.881 0.372 . . . . 1.0 110.582 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.65 161.02 23.32 Favored Glycine 0 CA--C 1.528 0.868 0 CA-C-N 115.832 -0.622 . . . . 1.0 111.909 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 170.7 -117.85 0.72 Allowed Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.197 -0.761 . . . . 1.0 111.197 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 44.4 mmm-85 -125.74 157.38 37.55 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.084 0.469 . . . . 1.0 111.506 -179.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 57.13 41.15 27.67 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.519 -0.764 . . . . 1.0 110.881 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -132.5 66.11 0.58 Allowed Glycine 0 N--CA 1.469 0.862 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -80.06 -98.02 0.01 OUTLIER 'Trans proline' 0 N--CA 1.497 1.702 0 C-N-CA 122.958 2.439 . . . . 1.0 112.452 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.444 ' OE1' ' O ' ' A' ' 48' ' ' VAL . 0.1 OUTLIER 71.07 65.24 0.41 Allowed Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.55 179.625 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -71.15 -31.95 13.82 Favored 'Trans proline' 0 N--CA 1.495 1.607 0 C-N-CA 122.192 1.928 . . . . 1.0 112.344 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.444 ' O ' ' OE1' ' A' ' 46' ' ' GLU . 38.6 t -108.21 107.01 21.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-O 120.903 0.383 . . . . 1.0 111.057 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.445 ' HG2' ' H ' ' A' ' 51' ' ' GLY . 77.6 ttt180 -63.68 -41.64 98.12 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.843 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.439 ' O ' ' CG ' ' A' ' 50' ' ' PHE . 83.9 t80 58.06 5.88 0.44 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.526 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.445 ' H ' ' HG2' ' A' ' 49' ' ' ARG . . . -85.73 -5.52 84.03 Favored Glycine 0 CA--C 1.531 1.074 0 N-CA-C 111.016 -0.834 . . . . 1.0 111.016 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 43.83 -98.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.642 0.238 . . . . 1.0 111.642 179.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 39.69 62.6 1.17 Allowed 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.85 0.357 . . . . 1.0 111.164 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -67.55 -37.77 83.17 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.029 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.4 tptt -157.32 -81.67 0.06 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 120.987 -0.285 . . . . 1.0 111.238 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp 47.21 92.38 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.86 0.362 . . . . 1.0 110.759 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 177.45 -53.31 0.1 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.126 -0.789 . . . . 1.0 111.126 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 37.8 pt -91.99 -9.12 10.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-O 120.78 0.324 . . . . 1.0 110.545 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.549 ' O ' ' N ' ' A' ' 61' ' ' ASP . . . -138.88 40.7 2.15 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.435 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.0 mt -41.86 87.78 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-O 121.184 0.516 . . . . 1.0 111.13 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.549 ' N ' ' O ' ' A' ' 59' ' ' ALA . 44.7 t0 -65.72 -39.31 91.05 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.701 -0.681 . . . . 1.0 111.584 -179.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 . . . . . 0 N--CA 1.471 0.591 0 CA-C-O 117.972 -1.014 . . . . 1.0 110.861 -179.723 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.562 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.457 0 N-CA-C 109.504 -0.554 . . . . 1.0 109.504 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.401 ' O ' HG22 ' A' ' 5' ' ' THR . 61.2 ttm-85 -61.81 -43.28 99.16 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.146 -0.686 . . . . 1.0 109.146 179.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.419 ' C ' ' SD ' ' A' ' 4' ' ' MET . 91.8 m-20 -86.08 176.94 7.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.696 -0.684 . . . . 1.0 110.685 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.419 ' SD ' ' C ' ' A' ' 3' ' ' ASP . 2.5 mpt? 62.64 3.6 1.18 Allowed 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.177 -179.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.401 HG22 ' O ' ' A' ' 2' ' ' ARG . 14.8 t -93.93 0.55 56.17 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.993 0.425 . . . . 1.0 110.271 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -69.46 133.96 48.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.685 -0.689 . . . . 1.0 110.967 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -79.37 137.88 37.46 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.715 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 95.5 m -130.15 129.77 43.9 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 120.81 0.338 . . . . 1.0 110.506 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 88.6 mtm-85 -76.32 156.2 33.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.413 . . . . 1.0 110.109 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -52.25 133.15 34.34 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-O 121.09 0.471 . . . . 1.0 110.13 -179.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -105.3 -140.78 0.37 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.595 -0.729 . . . . 1.0 111.598 -178.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.506 ' O ' ' O ' ' A' ' 13' ' ' PRO . 9.7 mp -45.74 155.97 0.46 Allowed Pre-proline 0 C--O 1.233 0.213 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.522 -178.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.506 ' O ' ' O ' ' A' ' 12' ' ' LEU . 45.9 Cg_exo -45.55 -174.87 0.0 OUTLIER 'Trans proline' 0 N--CA 1.492 1.405 0 C-N-CA 122.178 1.919 . . . . 1.0 111.931 179.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.431 ' CD ' ' CB ' ' A' ' 13' ' ' PRO . 52.3 Cg_exo -56.36 -11.57 6.52 Favored 'Trans proline' 0 C--N 1.311 -1.409 0 C-N-CA 122.7 2.267 . . . . 1.0 111.906 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -53.21 -21.19 4.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.268 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.39 -37.34 86.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.756 -0.657 . . . . 1.0 110.399 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.4 mt -62.78 -42.69 99.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.086 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -64.97 -38.31 90.55 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.193 -0.669 . . . . 1.0 109.193 178.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.24 -45.25 89.0 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.363 -0.606 . . . . 1.0 109.363 178.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.8 tp -62.05 -39.88 93.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.51 -0.768 . . . . 1.0 109.486 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.87 -37.96 88.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.486 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.401 ' C ' ' N ' ' A' ' 24' ' ' GLU . 74.1 mm-40 -69.51 -35.36 75.44 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.69 -0.485 . . . . 1.0 109.69 178.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.79 -19.4 0.96 Allowed 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.011 -0.541 . . . . 1.0 109.747 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 22' ' ' GLU . 98.4 mt-10 -57.18 -31.98 65.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.759 -0.655 . . . . 1.0 110.178 179.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -61.84 -35.61 78.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.067 0.461 . . . . 1.0 110.009 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -71.38 141.17 50.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.631 -0.713 . . . . 1.0 111.487 -178.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 93.3 mtm-85 -44.84 110.85 0.26 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.695 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -65.65 -32.55 74.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.883 -0.598 . . . . 1.0 110.983 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 -60.54 -33.22 72.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.454 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.76 -39.06 93.0 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.88 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -79.29 13.73 1.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.105 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 43.04 41.68 2.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.479 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.4 tp -152.98 104.59 2.85 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.298 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -75.86 146.59 39.71 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.767 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 32.0 mt -130.86 77.94 74.52 Favored Pre-proline 0 N--CA 1.47 0.553 0 CA-C-N 116.582 -0.281 . . . . 1.0 111.016 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -54.21 -37.23 87.77 Favored 'Trans proline' 0 N--CA 1.497 1.695 0 C-N-CA 122.745 2.297 . . . . 1.0 112.432 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -76.78 142.85 40.21 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.679 0.276 . . . . 1.0 111.166 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -159.99 -31.18 0.06 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.49 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 39.6 pt -77.33 -18.33 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-O 120.917 0.389 . . . . 1.0 110.581 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -73.46 72.0 1.24 Allowed Glycine 0 CA--C 1.528 0.885 0 CA-C-N 116.043 -0.526 . . . . 1.0 111.915 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.35 -33.52 85.18 Favored Glycine 0 CA--C 1.533 1.194 0 N-CA-C 111.821 -0.512 . . . . 1.0 111.821 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 81.0 mtp85 -66.07 156.91 32.48 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.062 0.458 . . . . 1.0 111.466 -178.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -148.5 172.74 13.99 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.702 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.497 ' H ' ' CD ' ' A' ' 45' ' ' PRO . . . -151.81 -54.18 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.056 -0.818 . . . . 1.0 111.056 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.497 ' CD ' ' H ' ' A' ' 44' ' ' GLY . 51.5 Cg_exo -58.54 141.15 97.12 Favored 'Trans proline' 0 N--CA 1.499 1.82 0 C-N-CA 122.789 2.326 . . . . 1.0 112.455 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.435 ' H ' ' HD2' ' A' ' 47' ' ' PRO . 12.0 mt-10 -90.3 -64.28 0.18 Allowed Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 115.744 -0.662 . . . . 1.0 111.206 -179.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.435 ' HD2' ' H ' ' A' ' 46' ' ' GLU . 31.8 Cg_endo -61.34 145.18 98.57 Favored 'Trans proline' 0 N--CA 1.499 1.851 0 C-N-CA 122.239 1.959 . . . . 1.0 111.902 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 15.8 m -124.64 128.9 73.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-O 121.032 0.444 . . . . 1.0 110.751 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 79.3 mmt-85 -81.41 -15.47 55.07 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.854 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -110.32 117.26 33.15 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.698 -0.482 . . . . 1.0 109.698 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.45 163.26 21.76 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.021 -0.831 . . . . 1.0 111.021 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 33.4 p-10 -95.08 1.98 55.1 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 111.505 0.187 . . . . 1.0 111.505 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.534 ' O ' ' N ' ' A' ' 55' ' ' LYS . 55.3 t-105 41.14 46.27 2.56 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.505 0.193 . . . . 1.0 111.192 179.46 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 55.81 -78.21 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.455 -0.339 . . . . 1.0 111.096 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.534 ' N ' ' O ' ' A' ' 53' ' ' TRP . 85.3 tttt 59.62 75.43 0.4 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.144 -0.48 . . . . 1.0 111.56 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 39.69 -108.42 0.08 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.944 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.43 -48.37 1.03 Allowed Glycine 0 N--CA 1.466 0.678 0 N-CA-C 111.013 -0.835 . . . . 1.0 111.013 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.62 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 70.2 mt -96.38 70.73 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-O 120.887 0.375 . . . . 1.0 110.128 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.62 ' HB2' ' O ' ' A' ' 58' ' ' ILE . . . 162.62 -21.47 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.41 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.426 ' O ' HG23 ' A' ' 60' ' ' ILE . 20.2 tt -74.31 126.86 35.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.138 0.494 . . . . 1.0 111.153 -179.303 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.438 ' O ' ' CG ' ' A' ' 62' ' ' PHE . 90.9 m-20 56.51 -88.6 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.816 -0.629 . . . . 1.0 111.663 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.438 ' CG ' ' O ' ' A' ' 61' ' ' ASP . 91.4 m-85 . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 117.963 -1.018 . . . . 1.0 110.617 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.9 mtp . . . . . 0 N--CA 1.488 1.471 0 N-CA-C 108.387 -0.968 . . . . 1.0 108.387 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 86.5 mtm-85 -90.7 88.95 7.3 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 109.412 -0.588 . . . . 1.0 109.412 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -62.54 -47.05 85.58 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 115.428 -0.806 . . . . 1.0 111.268 -179.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 47.7 ttp -161.39 155.7 22.73 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 110.281 -0.266 . . . . 1.0 110.281 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.415 HG22 ' H ' ' A' ' 5' ' ' THR . 0.1 OUTLIER -76.25 125.32 28.96 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.975 0.417 . . . . 1.0 110.329 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -141.58 135.23 29.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.34 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -122.09 -58.46 1.72 Allowed 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.832 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.458 HG22 ' H ' ' A' ' 10' ' ' LYS . 17.9 m -116.68 122.6 45.02 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 109.932 -0.396 . . . . 1.0 109.932 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -67.99 -25.64 65.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.539 0.685 . . . . 1.0 109.37 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.458 ' H ' HG22 ' A' ' 8' ' ' THR . 68.8 mttm 52.4 -124.85 2.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.733 -1.121 . . . . 1.0 110.408 -179.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -85.77 170.77 12.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.158 0.504 . . . . 1.0 111.983 -178.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.53 ' CD2' ' N ' ' A' ' 12' ' ' LEU . 3.0 mm? -58.04 146.71 67.88 Favored Pre-proline 0 CA--C 1.532 0.263 0 CA-C-N 115.433 -0.803 . . . . 1.0 110.777 -179.129 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.531 ' O ' ' N ' ' A' ' 15' ' ' GLU . 28.8 Cg_endo -65.73 163.81 29.07 Favored 'Trans proline' 0 N--CA 1.49 1.307 0 C-N-CA 121.925 1.75 . . . . 1.0 111.639 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_exo -38.91 85.68 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.452 0 C-N-CA 122.622 2.215 . . . . 1.0 112.508 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 13' ' ' PRO . 22.5 pt-20 -66.35 -37.33 85.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.79 -0.641 . . . . 1.0 110.136 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.418 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -63.88 -30.3 71.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.585 -0.734 . . . . 1.0 110.092 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 46.7 tp -62.95 -46.18 88.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.043 -0.526 . . . . 1.0 109.941 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.408 ' C ' ' N ' ' A' ' 20' ' ' LEU . 75.2 ttt180 -65.21 -35.25 80.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.86 -0.609 . . . . 1.0 109.434 179.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 16' ' ' ALA . . . -49.06 -22.65 0.96 Allowed 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.082 -0.71 . . . . 1.0 109.082 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.461 ' CD2' HH21 ' A' ' 28' ' ' ARG . 62.3 tp -60.82 -37.9 83.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.331 -0.849 . . . . 1.0 109.276 179.287 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.31 -23.38 5.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.655 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -62.79 -29.17 70.51 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.295 -0.632 . . . . 1.0 109.295 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.96 -21.12 10.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.902 -0.59 . . . . 1.0 109.686 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -59.15 -34.03 71.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.811 -0.631 . . . . 1.0 110.342 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -51.6 -19.65 1.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 1.0 109.934 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.524 ' O ' ' N ' ' A' ' 28' ' ' ARG . 11.3 ptp85 -133.83 167.3 20.81 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.938 -0.573 . . . . 1.0 111.09 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.4 HH21 ' HB2' ' A' ' 30' ' ' ALA . 14.4 ptm180 -49.45 85.06 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.033 0.444 . . . . 1.0 110.976 -179.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.524 ' N ' ' O ' ' A' ' 26' ' ' ARG . 73.4 ttt180 -71.9 -20.73 61.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.931 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 -54.72 -43.37 72.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.5 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.4 ' HB2' HH21 ' A' ' 27' ' ' ARG . . . -69.08 -40.31 78.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.659 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -57.14 -47.19 81.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.251 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.506 ' O ' ' CB ' ' A' ' 33' ' ' LEU . . . -68.1 -56.46 8.76 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.358 179.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.551 ' O ' ' N ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER 87.07 74.19 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.093 0.473 . . . . 1.0 110.587 179.199 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 33' ' ' LEU . 66.0 t0 36.56 -89.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.912 -0.586 . . . . 1.0 111.33 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.551 ' N ' ' O ' ' A' ' 33' ' ' LEU . 1.9 tt 61.69 72.85 0.62 Allowed Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 116.316 -0.402 . . . . 1.0 111.117 179.031 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -72.22 152.91 56.49 Favored 'Trans proline' 0 N--CA 1.493 1.452 0 C-N-CA 122.274 1.983 . . . . 1.0 112.101 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -93.18 155.04 17.7 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.683 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -136.93 -30.25 0.88 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 116.498 -0.319 . . . . 1.0 110.651 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 64.4 mt -63.63 -44.91 98.69 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 CA-C-O 120.807 0.337 . . . . 1.0 110.355 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.79 -35.82 92.37 Favored Glycine 0 CA--C 1.531 1.07 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.965 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -94.78 138.46 14.0 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.444 -0.662 . . . . 1.0 111.444 -179.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -66.19 -23.53 66.46 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 111.565 0.209 . . . . 1.0 111.565 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.8 m120 58.11 -175.89 0.08 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.883 0.373 . . . . 1.0 111.037 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -135.3 64.87 0.58 Allowed Glycine 0 CA--C 1.529 0.955 0 N-CA-C 110.955 -0.858 . . . . 1.0 110.955 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -76.18 155.99 37.71 Favored 'Trans proline' 0 N--CA 1.495 1.601 0 C-N-CA 123.019 2.48 . . . . 1.0 112.471 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -148.41 74.42 10.64 Favored Pre-proline 0 N--CA 1.465 0.276 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.731 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -59.98 145.58 98.02 Favored 'Trans proline' 0 N--CA 1.498 1.741 0 C-N-CA 122.831 2.354 . . . . 1.0 111.704 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 68.8 t -95.25 130.4 44.06 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-N 116.513 -0.312 . . . . 1.0 110.886 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -92.49 66.81 4.64 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.872 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 41.57 62.1 1.65 Allowed 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.868 -0.605 . . . . 1.0 110.715 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -64.95 -38.93 96.09 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.407 -0.677 . . . . 1.0 111.407 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' A' ' 52' ' ' ASP . 49.5 p-10 -90.65 93.8 9.42 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.733 0.301 . . . . 1.0 111.425 -179.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 73.8 t-105 -90.59 84.5 5.93 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.749 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 38.22 82.13 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.118 -0.492 . . . . 1.0 111.076 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -112.46 125.52 54.32 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.407 -0.361 . . . . 1.0 110.828 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.73 -41.41 98.06 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.937 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 81.28 105.0 0.34 Allowed Glycine 0 CA--C 1.527 0.816 0 N-CA-C 111.195 -0.762 . . . . 1.0 111.195 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 8.3 mm 58.18 39.35 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.102 0.477 . . . . 1.0 110.324 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -170.59 38.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.29 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' A' ' 62' ' ' PHE . 41.7 pt -69.13 -24.99 28.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 116.427 -0.351 . . . . 1.0 111.173 -179.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 67.3 t0 44.77 -88.22 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 116.322 -0.399 . . . . 1.0 111.586 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.485 ' N ' ' O ' ' A' ' 60' ' ' ILE . 91.4 t80 . . . . . 0 C--O 1.218 -0.6 0 CA-C-O 118.046 -0.978 . . . . 1.0 110.97 -179.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.1 ptp . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.56 -0.533 . . . . 1.0 109.56 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 23.1 mmt85 -64.68 -39.12 93.12 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.084 -0.709 . . . . 1.0 109.084 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 3' ' ' ASP . 48.1 t0 51.52 35.64 14.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.481 -0.782 . . . . 1.0 111.222 178.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.449 ' SD ' ' C ' ' A' ' 4' ' ' MET . 0.0 OUTLIER -132.48 114.86 14.8 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.475 -0.33 . . . . 1.0 110.199 179.411 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.448 ' HG1' ' CE ' ' A' ' 4' ' ' MET . 20.4 m 40.8 77.42 0.06 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.965 0.412 . . . . 1.0 110.613 -179.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -80.28 135.4 36.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.888 -0.596 . . . . 1.0 110.722 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -116.25 130.72 56.93 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.576 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.6 t -146.72 160.4 42.28 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.081 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.541 ' C ' ' H ' ' A' ' 11' ' ' ASP . 34.9 ttm180 60.16 161.31 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.382 -0.599 . . . . 1.0 109.382 -179.177 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.519 ' O ' ' N ' ' A' ' 12' ' ' LEU . 48.7 mtpt 68.58 -37.77 0.36 Allowed 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.564 0.54 . . . . 1.0 110.076 -179.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.541 ' H ' ' C ' ' A' ' 9' ' ' ARG . 1.0 OUTLIER 34.02 -88.04 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.809 178.48 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.519 ' N ' ' O ' ' A' ' 10' ' ' LYS . 13.7 mt -84.49 145.23 44.52 Favored Pre-proline 0 CA--C 1.536 0.416 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.6 -179.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -42.1 155.42 0.09 OUTLIER 'Trans proline' 0 N--CA 1.491 1.37 0 C-N-CA 121.936 1.757 . . . . 1.0 112.049 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -71.5 -14.32 30.63 Favored 'Trans proline' 0 N--CA 1.496 1.674 0 C-N-CA 122.791 2.327 . . . . 1.0 111.884 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -58.69 -37.1 75.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.07 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.12 -39.14 75.63 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.252 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.1 tp -63.27 -45.93 89.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.967 -0.56 . . . . 1.0 109.721 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -64.85 -36.34 84.03 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.834 -0.621 . . . . 1.0 109.716 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.71 -37.08 39.4 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.324 -0.621 . . . . 1.0 109.324 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.2 tp -62.68 -40.74 98.07 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.625 -0.716 . . . . 1.0 109.42 179.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.28 -37.25 85.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.774 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -65.18 -43.39 91.84 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.5 -0.556 . . . . 1.0 109.5 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.3 -23.43 66.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.982 -0.554 . . . . 1.0 109.85 178.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -67.49 -53.24 30.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.474 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -70.12 -36.07 74.56 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.092 0.473 . . . . 1.0 110.348 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 37.3 -117.06 0.15 Allowed 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 115.521 -0.763 . . . . 1.0 111.521 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.8 ptp85 -176.92 38.92 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.886 0.374 . . . . 1.0 110.496 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 79.4 mtp85 -66.6 -39.01 88.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.37 -40.33 96.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.779 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.2 -36.45 79.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.786 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -64.09 -39.97 95.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.357 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.91 16.24 9.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.602 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 43.5 tp -100.19 -35.26 9.71 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.888 0.375 . . . . 1.0 110.475 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 43.78 74.4 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.024 -0.534 . . . . 1.0 111.128 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.4 tp -154.76 58.52 2.05 Favored Pre-proline 0 N--CA 1.464 0.261 0 CA-C-N 116.552 -0.294 . . . . 1.0 111.005 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.82 150.86 83.23 Favored 'Trans proline' 0 N--CA 1.498 1.773 0 C-N-CA 122.777 2.318 . . . . 1.0 112.074 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.442 ' NZ ' ' O ' ' A' ' 39' ' ' ILE . 20.9 tptp -67.41 134.54 51.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.91 -179.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -145.65 -39.02 0.24 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.481 -0.327 . . . . 1.0 110.69 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.442 ' O ' ' NZ ' ' A' ' 37' ' ' LYS . 19.4 tt -126.19 132.31 70.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 CA-C-O 120.836 0.35 . . . . 1.0 110.311 179.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -163.37 169.93 38.61 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.306 -0.718 . . . . 1.0 111.306 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.4 37.29 21.3 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 111.6 -0.6 . . . . 1.0 111.6 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -62.37 133.19 54.72 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.949 0.404 . . . . 1.0 111.206 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -103.13 72.49 1.17 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.868 -0.605 . . . . 1.0 110.739 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.426 ' O ' ' OE2' ' A' ' 46' ' ' GLU . . . -52.53 172.8 0.34 Allowed Glycine 0 CA--C 1.528 0.864 0 N-CA-C 111.155 -0.778 . . . . 1.0 111.155 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -78.78 114.52 3.45 Favored 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 122.841 2.361 . . . . 1.0 112.143 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.63 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 10.1 mm-40 -91.07 -34.93 0.37 Allowed Pre-proline 0 CA--C 1.539 0.534 0 CA-C-N 115.872 -0.604 . . . . 1.0 111.483 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 46' ' ' GLU . 34.7 Cg_exo -58.62 146.96 89.62 Favored 'Trans proline' 0 N--CA 1.501 1.914 0 C-N-CA 122.429 2.086 . . . . 1.0 112.03 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 88.7 t -90.17 132.08 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.989 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -83.0 47.34 1.21 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.994 -0.548 . . . . 1.0 111.063 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -60.45 -45.05 95.11 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.56 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.435 ' O ' ' OD1' ' A' ' 52' ' ' ASP . . . -70.63 129.45 19.29 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.774 -0.93 . . . . 1.0 110.774 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 51' ' ' GLY . 95.7 m-20 -140.0 -166.21 2.05 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.778 0.323 . . . . 1.0 110.857 -179.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 3.1 m0 -89.13 139.96 29.94 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.857 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 55' ' ' LYS . 43.9 tp10 -161.73 -30.8 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.409 -0.36 . . . . 1.0 110.945 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.46 ' CG ' ' H ' ' A' ' 56' ' ' LYS . 29.3 tptt 33.49 -141.1 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.27 -0.423 . . . . 1.0 111.622 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.46 ' H ' ' CG ' ' A' ' 55' ' ' LYS . 26.5 pttm -149.0 152.79 36.92 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 120.848 0.356 . . . . 1.0 110.674 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 59' ' ' ALA . . . 87.64 120.22 1.45 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.645 -0.982 . . . . 1.0 110.645 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.42 ' O ' ' CG1' ' A' ' 58' ' ' ILE . 6.0 tt 37.83 25.34 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 121.037 0.446 . . . . 1.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 57' ' ' GLY . . . -135.28 3.33 3.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.766 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 94.4 mt -64.73 -43.93 96.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.966 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -64.31 -41.73 96.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.42 -0.355 . . . . 1.0 111.572 -179.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 118.072 -0.966 . . . . 1.0 110.689 -179.58 . . . . . . . . 0 0 . 1 stop_ save_