data_2lqd_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 2lqd _Structure_validation_residue.Date_analyzed 2016-10-08 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 full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 . . . . . 0 N--CA 1.495 1.82 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.4 tp -130.53 137.86 49.92 Favored 'General case' 0 N--CA 1.534 3.731 0 O-C-N 116.488 -3.882 . . . . 0.0 113.678 -178.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.07 153.04 55.12 Favored Pre-proline 0 N--CA 1.513 2.688 0 O-C-N 117.469 -3.269 . . . . 0.0 112.948 -169.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -77.5 161.76 31.08 Favored 'Trans proline' 0 CA--C 1.568 2.198 0 C-N-CA 123.327 2.685 . . . . 0.0 109.1 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.1 tp -85.39 133.01 43.22 Favored Pre-proline 0 C--O 1.203 -1.37 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 -161.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -81.01 115.47 3.0 Favored 'Trans proline' 0 C--N 1.387 2.586 0 N-CA-C 104.613 -2.88 . . . . 0.0 104.613 178.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -69.06 -0.64 6.62 Favored 'Trans proline' 0 CA--C 1.582 2.903 0 O-C-N 118.53 -1.352 . . . . 0.0 115.435 -167.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.5 p-80 -71.34 -27.68 63.54 Favored 'General case' 0 N--CA 1.509 2.523 0 C-N-CA 118.639 -1.224 . . . . 0.0 112.421 165.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.8 t -69.54 128.48 92.15 Favored Pre-proline 0 N--CA 1.502 2.163 0 O-C-N 119.24 -2.163 . . . . 0.0 111.049 159.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -86.74 136.41 4.41 Favored 'Trans proline' 0 N--CA 1.433 -2.048 1 C-N-CA 126.571 4.847 . . . . 0.0 106.173 169.342 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -65.61 -34.6 78.61 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 119.611 -1.931 . . . . 0.0 112.244 -161.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 11.2 p80 -53.8 -21.14 6.8 Favored 'General case' 0 CA--C 1.608 3.181 0 CA-C-N 120.71 1.596 . . . . 0.0 110.872 -169.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.6 mt -74.96 -30.43 61.2 Favored 'General case' 0 C--N 1.284 -2.261 0 N-CA-C 114.746 1.387 . . . . 0.0 114.746 174.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 80.5 t -59.58 135.82 23.79 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.222 0 CA-C-O 114.289 -2.767 . . . . 0.0 113.74 -166.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -134.64 137.6 43.78 Favored 'General case' 0 C--O 1.242 0.696 0 O-C-N 125.833 1.958 . . . . 0.0 110.476 176.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -79.3 116.89 19.83 Favored 'General case' 0 C--N 1.367 1.351 0 O-C-N 126.343 2.277 . . . . 0.0 112.346 168.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -176.7 122.66 0.15 Allowed 'General case' 0 N--CA 1.516 2.835 0 O-C-N 125.84 1.963 . . . . 0.0 114.686 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -100.55 135.66 41.64 Favored 'General case' 0 C--N 1.342 0.277 0 C-N-CA 125.901 1.681 . . . . 0.0 114.76 170.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.2 ptt? -58.51 -25.26 62.2 Favored 'General case' 0 C--N 1.358 0.961 0 N-CA-C 118.538 2.792 . . . . 0.0 118.538 175.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -99.59 -24.73 14.65 Favored 'General case' 0 C--O 1.249 1.054 0 O-C-N 117.783 -3.073 . . . . 0.0 116.598 173.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -121.52 80.25 38.52 Favored Pre-proline 0 CA--C 1.593 2.634 0 N-CA-C 119.888 3.292 . . . . 0.0 119.888 162.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -71.14 -166.85 0.25 Allowed 'Trans proline' 0 C--O 1.281 2.658 0 C-N-CA 123.577 2.851 . . . . 0.0 108.508 -174.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 92.4 p -65.22 -14.39 60.56 Favored 'General case' 0 N--CA 1.513 2.713 1 O-C-N 111.709 -6.87 . . . . 0.0 117.552 -164.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.4 t30 -171.53 115.25 0.39 Allowed 'General case' 0 C--O 1.254 1.315 0 C-N-CA 119.745 -0.782 . . . . 0.0 112.543 -173.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.6 mt -66.21 -7.91 21.13 Favored 'General case' 0 C--N 1.393 2.461 0 CA-C-O 126.049 2.833 . . . . 0.0 115.605 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 54.7 m -94.03 -8.91 38.5 Favored 'General case' 0 N--CA 1.517 2.881 1 O-C-N 115.599 -4.438 . . . . 0.0 113.999 179.156 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -97.72 167.7 10.79 Favored 'General case' 0 N--CA 1.502 2.13 0 C-N-CA 123.977 0.911 . . . . 0.0 113.062 175.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.48 145.23 30.17 Favored Glycine 1 N--CA 1.529 4.838 0 O-C-N 127.107 2.754 . . . . 0.0 108.909 174.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 41.5 t -54.43 -36.46 34.5 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 CA-C-N 118.35 1.075 . . . . 0.0 111.799 -165.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.37 -47.8 80.6 Favored 'General case' 0 N--CA 1.517 2.876 0 O-C-N 117.922 -2.986 . . . . 0.0 106.472 175.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -76.38 -17.88 59.15 Favored 'General case' 0 N--CA 1.507 2.385 0 CA-C-O 117.044 -1.455 . . . . 0.0 114.076 -177.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.42 -33.61 65.04 Favored 'General case' 0 N--CA 1.425 -1.691 0 C-N-CA 125.786 1.634 . . . . 0.0 113.954 167.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 36.8 m95 -95.53 -10.47 29.57 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.349 -1.469 . . . . 0.0 112.516 176.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.48 -31.27 45.11 Favored 'General case' 0 C--O 1.267 2.018 0 CA-C-O 112.579 -3.581 . . . . 0.0 115.079 -177.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -50.89 -16.68 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.374 1.668 0 CA-C-N 125.541 3.791 . . . . 0.0 112.999 178.363 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 33.3 mt -80.4 -10.87 59.75 Favored 'General case' 0 C--O 1.198 -1.621 0 O-C-N 119.435 -2.041 . . . . 0.0 112.718 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -100.34 7.77 44.11 Favored 'General case' 0 C--O 1.275 2.412 0 CA-C-O 113.799 -3.0 . . . . 0.0 117.0 177.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -57.15 151.84 14.71 Favored 'General case' 0 C--O 1.287 3.056 0 CA-C-N 122.307 2.321 . . . . 0.0 112.996 172.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.9 p -68.47 -9.54 49.51 Favored 'General case' 1 N--CA 1.564 5.258 0 N-CA-C 117.847 2.536 . . . . 0.0 117.847 -164.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -86.33 -20.97 27.55 Favored 'General case' 0 CA--C 1.573 1.842 0 CA-C-O 115.799 -2.048 . . . . 0.0 108.864 171.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.9 t -79.44 131.12 66.17 Favored Pre-proline 0 CA--C 1.489 -1.368 0 CA-C-N 123.024 2.647 . . . . 0.0 107.608 -160.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_exo -56.6 173.78 0.46 Allowed 'Trans proline' 0 CA--C 1.583 2.934 0 CA-C-N 125.862 3.129 . . . . 0.0 115.736 170.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -71.55 -9.57 58.42 Favored 'General case' 0 CA--C 1.592 2.592 0 C-N-CA 125.828 1.651 . . . . 0.0 110.556 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -158.98 146.43 17.54 Favored 'General case' 0 C--N 1.273 -2.724 0 O-C-N 120.793 -1.192 . . . . 0.0 108.471 -177.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.1 m -130.66 151.5 36.02 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.191 0 C-N-CA 129.655 3.182 . . . . 0.0 111.648 -177.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 69.1 t-105 -98.37 124.23 42.91 Favored 'General case' 0 C--O 1.208 -1.09 0 C-N-CA 124.796 1.238 . . . . 0.0 108.562 158.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.7 t -100.53 131.74 46.28 Favored 'General case' 0 CA--C 1.561 1.368 0 C-N-CA 131.391 3.877 . . . . 0.0 105.796 167.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 -85.8 -9.33 57.24 Favored 'General case' 0 N--CA 1.51 2.539 0 C-N-CA 126.339 1.855 . . . . 0.0 108.625 175.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 87.0 m -71.1 159.89 33.88 Favored 'General case' 0 C--O 1.276 2.448 0 N-CA-C 115.056 1.502 . . . . 0.0 115.056 176.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 34.8 m120 62.14 23.03 13.55 Favored 'General case' 0 CA--C 1.579 2.076 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -175.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 80.14 0.92 87.25 Favored Glycine 1 CA--C 1.58 4.14 0 N-CA-C 118.57 2.188 . . . . 0.0 118.57 -170.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.13 125.46 5.57 Favored Glycine 0 N--CA 1.514 3.896 0 CA-C-O 116.611 -2.216 . . . . 0.0 113.244 -175.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -166.15 145.4 5.98 Favored 'General case' 0 C--N 1.263 -3.178 0 N-CA-C 121.155 3.761 . . . . 0.0 121.155 167.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 69.4 m95 -78.87 132.71 36.89 Favored 'General case' 0 C--O 1.21 -1.026 0 O-C-N 119.187 -2.196 . . . . 0.0 109.057 177.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.3 mt -110.97 141.38 26.49 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.948 0 C-N-CA 126.587 1.955 . . . . 0.0 112.781 166.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.5 136.44 33.12 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 125.39 2.519 . . . . 0.0 107.539 161.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.0 p -89.33 -26.79 20.92 Favored 'General case' 0 C--N 1.372 1.578 0 O-C-N 117.05 -3.532 . . . . 0.0 112.782 172.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 -105.03 130.93 53.12 Favored 'General case' 0 CA--C 1.48 -1.731 0 CA-C-O 122.065 0.936 . . . . 0.0 111.892 -164.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -49.18 -42.1 31.51 Favored Glycine 0 CA--C 1.48 -2.096 0 C-N-CA 125.862 1.696 . . . . 0.0 110.156 169.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -62.26 -49.13 76.91 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-O 116.297 -1.811 . . . . 0.0 110.104 -175.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 37.8 tp -64.4 -42.75 95.91 Favored 'General case' 0 CA--C 1.556 1.203 0 C-N-CA 114.635 -2.826 . . . . 0.0 112.501 176.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 47.6 mt -50.17 -53.7 10.68 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.3 0 O-C-N 125.514 1.759 . . . . 0.0 109.645 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 43.8 ttt-85 -61.72 -18.6 60.33 Favored 'General case' 0 CA--C 1.562 1.415 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 174.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -89.67 -40.04 12.81 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 119.503 -1.998 . . . . 0.0 116.367 170.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.28 -43.25 53.29 Favored 'General case' 0 C--O 1.203 -1.353 0 CA-C-O 122.864 1.316 . . . . 0.0 114.325 161.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -66.37 -23.38 66.33 Favored 'General case' 0 C--N 1.379 1.856 0 O-C-N 119.405 -2.059 . . . . 0.0 114.933 -177.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -67.1 -74.13 0.12 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 116.755 -3.715 . . . . 0.0 112.982 -175.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -86.92 114.8 23.86 Favored 'General case' 0 CA--C 1.573 1.841 0 C-N-CA 124.641 1.177 . . . . 0.0 113.515 -176.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -63.39 -28.37 69.94 Favored 'General case' 0 N--CA 1.52 3.046 0 O-C-N 128.368 3.543 . . . . 0.0 108.233 176.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 58.3 mtp180 -70.46 -20.77 62.86 Favored 'General case' 0 C--N 1.351 0.662 0 O-C-N 117.737 -3.102 . . . . 0.0 115.233 -179.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . 0.256 13.5 t-80 -96.55 -28.4 14.4 Favored 'General case' 0 CA--C 1.569 1.674 0 CA-C-O 123.993 1.854 . . . . 0.0 115.661 176.112 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -148.71 135.63 19.93 Favored 'General case' 0 N--CA 1.519 2.992 0 O-C-N 117.705 -3.122 . . . . 0.0 113.809 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 30.5 t -119.69 138.26 53.39 Favored 'General case' 0 N--CA 1.505 2.276 0 O-C-N 124.931 1.394 . . . . 0.0 111.457 -172.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 71.2 m -68.24 2.29 2.32 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 130.703 3.601 . . . . 0.0 115.193 164.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -61.32 -24.53 66.51 Favored 'General case' 0 C--O 1.267 1.984 0 CA-C-N 120.968 1.713 . . . . 0.0 113.582 -155.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.91 109.55 11.88 Favored Pre-proline 0 N--CA 1.509 2.481 0 O-C-N 121.227 -0.921 . . . . 0.0 108.624 155.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -91.2 4.12 4.24 Favored 'Trans proline' 0 C--O 1.244 0.805 0 CA-C-N 121.845 1.695 . . . . 0.0 108.335 -169.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 13.9 m-30 -110.67 101.48 10.12 Favored 'General case' 0 C--O 1.254 1.292 0 N-CA-C 107.421 -1.325 . . . . 0.0 107.421 -170.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . 0.336 2.8 tt -76.79 -35.64 1.49 Allowed Pre-proline 0 C--O 1.265 1.893 0 N-CA-C 119.748 3.24 . . . . 0.0 119.748 -166.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -68.53 145.57 64.85 Favored 'Trans proline' 0 C--N 1.366 1.466 0 C-N-CA 116.013 -2.191 . . . . 0.0 110.313 -177.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -47.68 -47.16 29.76 Favored 'General case' 0 C--O 1.193 -1.89 0 C-N-CA 125.774 1.629 . . . . 0.0 112.381 -165.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -53.47 -40.81 65.58 Favored 'General case' 0 C--O 1.274 2.386 0 C-N-CA 126.72 2.008 . . . . 0.0 109.366 -177.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . 0.331 . . -81.77 -41.99 20.39 Favored 'General case' 0 CA--C 1.478 -1.802 0 O-C-N 124.75 1.281 . . . . 0.0 108.556 178.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -56.76 -28.28 56.85 Favored Glycine 0 CA--C 1.559 2.823 0 N-CA-C 117.289 1.676 . . . . 0.0 117.289 177.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -94.73 13.89 23.0 Favored 'General case' 0 C--O 1.259 1.566 0 N-CA-C 115.793 1.775 . . . . 0.0 115.793 178.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -156.51 -11.36 0.1 Allowed 'General case' 0 CA--C 1.478 -1.819 0 N-CA-C 118.479 2.77 . . . . 0.0 118.479 -173.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -75.61 131.43 39.97 Favored 'General case' 0 CA--C 1.498 -1.04 0 N-CA-C 104.322 -2.473 . . . . 0.0 104.322 174.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -171.06 111.38 0.35 Allowed 'General case' 0 N--CA 1.529 3.5 0 N-CA-C 100.555 -3.869 . . . . 0.0 100.555 169.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -150.63 144.05 25.0 Favored 'General case' 0 C--N 1.364 1.215 0 O-C-N 116.718 -3.739 . . . . 0.0 114.944 -169.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.2 mt -93.97 143.56 26.66 Favored Pre-proline 0 N--CA 1.507 2.411 0 N-CA-C 104.171 -2.529 . . . . 0.0 104.171 -170.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -80.85 -23.35 14.26 Favored 'Cis proline' 0 C--N 1.366 1.456 0 CA-C-O 124.062 1.609 . . . . 0.0 115.644 -2.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 52.1 m -32.94 -63.38 0.22 Allowed 'General case' 0 C--O 1.199 -1.563 0 N-CA-C 117.231 2.308 . . . . 0.0 117.231 178.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.5 m -81.35 30.65 0.34 Allowed 'General case' 0 N--CA 1.537 3.901 0 N-CA-C 118.056 2.613 . . . . 0.0 118.056 175.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 76.1 mmm -120.94 144.99 48.17 Favored 'General case' 0 C--O 1.194 -1.848 0 CA-C-O 124.026 1.869 . . . . 0.0 107.843 175.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -77.05 146.34 75.12 Favored Pre-proline 0 C--N 1.36 1.054 0 O-C-N 118.516 -2.615 . . . . 0.0 107.717 -171.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . 0.292 26.7 Cg_endo -73.89 159.99 44.08 Favored 'Trans proline' 0 C--N 1.382 2.321 0 CA-C-O 113.337 -2.86 . . . . 0.0 115.789 163.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . 0.256 91.6 Cg_endo -79.09 -23.38 14.28 Favored 'Cis proline' 0 N--CA 1.432 -2.096 0 C-N-CA 132.416 2.257 . . . . 0.0 114.853 5.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -58.54 -30.83 67.41 Favored 'General case' 0 CA--C 1.584 2.282 0 O-C-N 126.383 2.302 . . . . 0.0 113.395 -178.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -45.96 -38.57 7.81 Favored 'General case' 0 CA--C 1.57 1.731 0 CA-C-O 123.46 1.6 . . . . 0.0 112.967 178.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 26.0 ttp-105 -61.92 -25.48 67.6 Favored 'General case' 0 N--CA 1.427 -1.597 0 N-CA-C 116.838 2.162 . . . . 0.0 116.838 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -64.41 -57.58 8.88 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 126.35 2.281 . . . . 0.0 110.76 165.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -52.66 -39.6 62.02 Favored 'General case' 0 CA--C 1.555 1.15 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 178.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 61.3 mtp85 -55.01 -43.33 73.56 Favored 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 129.639 3.176 . . . . 0.0 113.385 172.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -73.5 -39.06 65.12 Favored 'General case' 0 N--CA 1.494 1.769 0 CA-C-O 122.964 1.364 . . . . 0.0 112.283 176.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 14.5 tp -59.63 -57.67 11.93 Favored 'General case' 0 C--O 1.18 -2.573 0 O-C-N 117.227 -3.42 . . . . 0.0 109.724 170.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -40.62 -52.56 2.87 Favored 'General case' 0 C--N 1.316 -0.879 0 O-C-N 119.283 -2.136 . . . . 0.0 115.582 168.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -46.68 -42.91 17.21 Favored 'General case' 0 CA--C 1.587 2.399 0 C-N-CA 128.646 2.778 . . . . 0.0 111.853 171.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -84.4 -34.33 23.57 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 127.012 2.125 . . . . 0.0 114.147 177.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 87.1 t -52.35 -51.28 33.7 Favored 'Isoleucine or valine' 1 N--CA 1.551 4.576 0 N-CA-C 103.727 -2.694 . . . . 0.0 103.727 166.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . 0.303 14.6 m -79.28 24.17 0.08 OUTLIER 'Isoleucine or valine' 1 N--CA 1.377 -4.081 0 N-CA-C 118.222 2.675 . . . . 0.0 118.222 171.106 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -71.28 133.55 22.09 Favored Glycine 0 CA--C 1.57 3.484 0 O-C-N 117.221 -3.425 . . . . 0.0 116.096 176.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 59.5 mtm -70.83 -24.17 0.72 Allowed Pre-proline 0 C--N 1.303 -1.422 0 N-CA-C 120.49 3.515 . . . . 0.0 120.49 178.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -48.32 -38.45 34.05 Favored 'Trans proline' 0 C--O 1.191 -1.855 0 CA-C-N 125.399 2.964 . . . . 0.0 116.615 174.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 9.9 p -68.01 -23.94 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 N-CA-C 116.309 1.966 . . . . 0.0 116.309 177.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 15.5 m -99.68 -12.28 8.45 Favored 'Isoleucine or valine' 0 C--N 1.349 0.559 0 N-CA-C 115.102 1.519 . . . . 0.0 115.102 175.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -83.39 -27.93 29.27 Favored 'General case' 0 C--N 1.368 1.375 0 C-N-CA 129.364 3.066 . . . . 0.0 111.925 -168.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 41.9 tptt -52.65 -32.55 42.62 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-N 114.215 -1.357 . . . . 0.0 114.02 157.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . 0.321 6.5 mt -95.22 -0.7 52.85 Favored 'General case' 0 C--O 1.182 -2.494 0 C-N-CA 130.071 3.349 . . . . 0.0 115.199 -171.41 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -48.52 -45.05 36.77 Favored 'General case' 0 CA--C 1.554 1.116 0 CA-C-N 121.716 2.053 . . . . 0.0 114.896 -171.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 30.9 t-20 -72.02 -39.23 69.32 Favored 'General case' 0 C--O 1.257 1.492 0 C-N-CA 125.434 1.494 . . . . 0.0 108.267 176.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 53.3 mtp180 -58.98 -35.64 73.54 Favored 'General case' 0 CA--C 1.562 1.409 0 CA-C-O 116.0 -1.952 . . . . 0.0 113.823 170.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 69.5 mt -80.73 -32.92 13.15 Favored 'Isoleucine or valine' 0 C--O 1.259 1.554 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 -178.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -71.08 -33.36 70.14 Favored 'General case' 0 C--N 1.287 -2.111 0 O-C-N 125.133 1.52 . . . . 0.0 110.867 173.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -60.82 -47.22 87.34 Favored 'General case' 0 C--N 1.294 -1.807 0 C-N-CA 129.915 3.286 . . . . 0.0 112.081 166.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 8.2 tp -49.75 -47.21 50.95 Favored 'General case' 0 CA--C 1.569 1.696 0 O-C-N 117.552 -3.217 . . . . 0.0 113.993 174.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -58.47 -56.44 22.1 Favored 'General case' 0 C--O 1.251 1.14 0 CA-C-O 124.061 1.886 . . . . 0.0 112.982 168.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 38.2 t -52.95 -48.9 67.02 Favored 'General case' 0 C--N 1.364 1.232 0 O-C-N 117.234 -3.416 . . . . 0.0 114.297 174.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 6.9 m -45.54 -44.72 12.96 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 117.698 2.481 . . . . 0.0 117.698 167.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 28.4 mt -81.33 -40.37 23.68 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 115.781 1.771 . . . . 0.0 115.781 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 10.5 mt -68.22 -39.43 81.13 Favored 'Isoleucine or valine' 0 C--N 1.37 1.49 0 CA-C-O 122.836 1.303 . . . . 0.0 112.629 169.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -72.65 -16.4 61.71 Favored 'General case' 0 CA--C 1.56 1.35 0 O-C-N 116.354 -3.966 . . . . 0.0 113.531 -176.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 7.4 t -72.07 -9.01 57.81 Favored 'General case' 0 N--CA 1.402 -2.829 1 O-C-N 113.834 -5.541 . . . . 0.0 119.073 157.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 52.2 mt -116.32 -42.23 3.05 Favored 'General case' 0 C--O 1.241 0.636 0 O-C-N 120.019 -1.676 . . . . 0.0 108.402 -176.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . 0.26 34.6 ttp85 -44.88 -53.68 15.16 Favored Pre-proline 0 C--O 1.261 1.658 0 N-CA-C 118.873 2.916 . . . . 0.0 118.873 -164.339 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -73.74 -9.57 22.64 Favored 'Trans proline' 1 C--N 1.417 4.138 0 N-CA-C 115.308 1.234 . . . . 0.0 115.308 175.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -79.05 -13.52 59.72 Favored 'General case' 0 CA--C 1.567 1.623 0 CA-C-O 116.322 -1.799 . . . . 0.0 115.01 -174.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 71.26 10.66 70.01 Favored Glycine 0 CA--C 1.562 3.0 0 O-C-N 126.263 2.227 . . . . 0.0 115.354 178.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -162.08 165.53 27.05 Favored 'General case' 0 C--N 1.283 -2.293 0 C-N-CA 123.781 0.833 . . . . 0.0 112.564 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 1.4 p -150.35 -171.1 3.83 Favored 'General case' 0 CA--C 1.56 1.339 0 CA-C-O 125.114 2.388 . . . . 0.0 112.647 153.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -130.1 90.76 3.01 Favored 'General case' 0 CA--C 1.569 1.686 0 O-C-N 117.256 -3.402 . . . . 0.0 106.224 163.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -57.85 -29.45 64.99 Favored 'General case' 0 C--N 1.365 1.255 0 N-CA-C 115.585 1.698 . . . . 0.0 115.585 -158.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 15.2 p -51.03 -61.1 2.44 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.873 -1.142 . . . . 0.0 112.231 167.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -81.42 -33.17 32.35 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 -174.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -87.8 -12.85 43.82 Favored 'General case' 0 CA--C 1.563 1.451 0 C-N-CA 130.524 3.529 . . . . 0.0 111.644 -170.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -142.4 -60.05 0.45 Allowed 'General case' 0 CA--C 1.561 1.394 0 CA-C-N 120.605 1.548 . . . . 0.0 113.406 173.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.7 -48.42 81.2 Favored 'General case' 0 CA--C 1.601 2.922 0 CA-C-O 114.231 -2.795 . . . . 0.0 115.655 -170.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -56.56 -69.1 0.47 Allowed Pre-proline 0 C--O 1.283 2.842 0 CA-C-N 120.464 1.484 . . . . 0.0 110.294 165.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . 0.255 11.9 Cg_endo -43.27 -61.6 0.54 Allowed 'Trans proline' 0 C--N 1.385 2.462 0 C-N-CA 124.458 3.439 . . . . 0.0 118.068 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . 0.449 ' CE1' HD12 ' A' ' 162' ' ' ILE . 14.3 t80 -58.43 -70.42 0.39 Allowed Pre-proline 0 N--CA 1.427 -1.605 1 O-C-N 116.223 -4.048 . . . . 0.0 115.82 -165.412 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -60.32 -32.69 94.45 Favored 'Trans proline' 0 CA--C 1.549 1.23 0 C-N-CA 120.667 0.911 . . . . 0.0 113.694 177.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 69.9 mt -66.67 -49.69 72.55 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.35 0 CA-C-N 122.041 2.2 . . . . 0.0 111.796 172.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -61.02 -29.39 69.68 Favored 'General case' 0 N--CA 1.484 1.249 0 O-C-N 121.027 -1.045 . . . . 0.0 113.288 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . 0.449 HD12 ' CE1' ' A' ' 158' ' ' PHE 0.282 19.9 mt -66.39 -57.63 9.64 Favored 'Isoleucine or valine' 0 C--O 1.163 -3.499 0 CA-C-O 122.097 0.951 . . . . 0.0 110.778 167.013 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -52.8 -29.3 26.76 Favored 'General case' 1 CA--C 1.631 4.06 0 O-C-N 119.69 -1.881 . . . . 0.0 114.804 177.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -71.84 -37.89 70.21 Favored 'General case' 0 C--N 1.273 -2.757 0 CA-C-O 115.08 -2.39 . . . . 0.0 109.35 173.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 87.5 mt -58.56 -59.59 5.14 Favored 'General case' 0 N--CA 1.518 2.959 0 CA-C-N 124.177 3.171 . . . . 0.0 108.942 163.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 14.0 tp -45.41 -32.78 2.27 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-O 115.932 -1.985 . . . . 0.0 115.449 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . 0.296 . . -110.06 -2.62 16.9 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 120.628 1.558 . . . . 0.0 110.566 -170.441 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 71.82 16.95 76.49 Favored Glycine 0 C--O 1.201 -1.945 0 O-C-N 124.455 1.097 . . . . 0.0 111.415 -177.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 7.3 mp -83.15 139.41 42.3 Favored Pre-proline 0 CA--C 1.576 1.961 0 CA-C-O 116.354 -1.784 . . . . 0.0 114.509 -175.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -77.71 131.6 11.43 Favored 'Trans proline' 0 C--O 1.264 1.785 0 CA-C-N 120.624 1.259 . . . . 0.0 114.335 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -45.62 -29.43 1.22 Allowed 'General case' 0 N--CA 1.531 3.6 0 C-N-CA 127.534 2.334 . . . . 0.0 115.798 174.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -64.79 -25.71 68.03 Favored 'General case' 0 CA--C 1.594 2.669 0 O-C-N 119.055 -2.278 . . . . 0.0 111.376 175.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -66.04 -8.89 25.91 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 117.649 -3.157 . . . . 0.0 116.835 168.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 65.7 mt -62.3 -35.65 22.07 Favored Pre-proline 0 C--O 1.265 1.915 0 CA-C-O 114.816 -2.516 . . . . 0.0 116.229 -174.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -65.61 -29.87 51.79 Favored 'Trans proline' 0 C--O 1.257 1.434 0 O-C-N 124.322 1.696 . . . . 0.0 113.798 176.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -60.38 -58.94 6.35 Favored 'General case' 0 C--N 1.271 -2.807 0 O-C-N 117.845 -3.034 . . . . 0.0 111.769 174.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 76.4 mt -79.92 -37.64 34.16 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 119.479 -2.013 . . . . 0.0 111.878 -161.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.25 -35.08 79.14 Favored 'General case' 0 C--N 1.407 3.074 0 O-C-N 119.164 -2.21 . . . . 0.0 115.926 168.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -56.0 -48.46 75.85 Favored 'General case' 0 N--CA 1.522 3.167 0 O-C-N 118.928 -2.357 . . . . 0.0 112.57 167.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 95.8 mt -62.95 -51.18 67.89 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 129.556 3.142 . . . . 0.0 112.806 174.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 18.9 p -71.26 -20.6 62.21 Favored 'General case' 0 CA--C 1.58 2.13 0 CA-C-N 120.878 1.672 . . . . 0.0 112.759 174.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -81.81 -49.17 10.69 Favored 'General case' 0 CA--C 1.615 3.444 0 CA-C-O 116.696 -1.621 . . . . 0.0 109.677 169.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -56.63 -40.78 76.01 Favored 'General case' 0 C--N 1.357 0.911 0 CA-C-N 123.191 2.723 . . . . 0.0 112.523 176.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 184' ' ' MET . . . . . . . . . . . . . 40.2 mtt -61.94 -40.41 95.41 Favored 'General case' 0 N--CA 1.533 3.719 0 O-C-N 119.13 -2.231 . . . . 0.0 110.962 176.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 185' ' ' THR . . . . . . . . . . . . . 22.9 p -86.74 -38.98 16.42 Favored 'General case' 0 CA--C 1.553 1.059 0 CA-C-N 122.859 2.572 . . . . 0.0 108.056 -172.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 186' ' ' ARG . . . . . . . . . . . . . 35.0 mtm-85 -144.2 82.74 10.57 Favored Pre-proline 0 CA--C 1.598 2.805 0 CA-C-N 119.296 0.953 . . . . 0.0 109.266 -167.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 187' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -76.95 179.53 6.42 Favored 'Trans proline' 0 CA--C 1.551 1.358 1 C-N-CA 132.471 8.78 . . . . 0.0 110.125 -160.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 188' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -177.49 -37.65 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.316 0 O-C-N 119.855 -1.778 . . . . 0.0 112.662 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -99.85 -169.63 29.83 Favored Glycine 0 C--O 1.214 -1.095 0 C-N-CA 130.514 3.911 . . . . 0.0 110.877 -166.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 17.8 p -91.06 -10.45 42.07 Favored 'General case' 0 CA--C 1.557 1.227 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 -178.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 43.0 ttm -61.52 110.23 1.41 Allowed 'General case' 0 C--O 1.276 2.447 0 O-C-N 120.416 -1.427 . . . . 0.0 107.588 164.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 44.8 p -70.39 165.72 21.85 Favored 'General case' 0 N--CA 1.504 2.248 0 C-N-CA 126.399 1.88 . . . . 0.0 113.335 160.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 193' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -63.64 -47.18 82.35 Favored 'General case' 0 N--CA 1.501 2.121 0 C-N-CA 127.762 2.425 . . . . 0.0 106.551 -178.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -48.34 -45.15 35.01 Favored 'General case' 0 CA--C 1.581 2.135 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.468 172.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 195' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -66.89 -44.18 81.54 Favored 'General case' 0 C--O 1.254 1.313 0 C-N-CA 125.854 1.662 . . . . 0.0 109.657 -178.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.02 -47.94 76.87 Favored 'General case' 0 C--O 1.189 -2.125 0 CA-C-O 123.942 1.829 . . . . 0.0 112.896 175.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 197' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -65.73 -35.15 79.92 Favored 'General case' 0 CA--C 1.484 -1.596 0 C-N-CA 126.204 1.802 . . . . 0.0 113.772 179.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -70.91 -44.84 65.4 Favored 'General case' 0 N--CA 1.499 2.024 0 CA-C-O 123.617 1.675 . . . . 0.0 111.475 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . 0.267 . . -69.98 -37.46 75.75 Favored 'General case' 0 CA--C 1.601 2.904 0 O-C-N 119.11 -2.243 . . . . 0.0 115.438 173.245 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 13.7 tp -67.32 -41.53 85.13 Favored 'General case' 0 CA--C 1.587 2.394 0 CA-C-N 119.077 0.853 . . . . 0.0 109.516 169.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' TYR . . . . . 0.45 ' CD2' ' HE3' ' A' ' 239' ' ' LYS . 7.6 m-30 -68.37 -29.49 68.21 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 118.049 -1.46 . . . . 0.0 111.433 -176.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -76.96 -32.39 57.25 Favored 'General case' 0 CA--C 1.596 2.716 0 O-C-N 123.866 0.729 . . . . 0.0 111.225 176.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 203' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -66.53 -36.23 82.18 Favored 'General case' 0 C--N 1.287 -2.12 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 170.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 77.7 mt -72.37 -42.12 65.61 Favored 'General case' 0 CA--C 1.577 2.009 0 CA-C-O 123.003 1.382 . . . . 0.0 112.528 -179.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . . . . . . . . . 2.6 mm -58.76 -39.95 78.46 Favored Pre-proline 0 N--CA 1.501 2.123 0 N-CA-C 119.511 3.152 . . . . 0.0 119.511 -168.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 206' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -63.23 -48.57 5.99 Favored 'Trans proline' 0 C--N 1.322 -0.826 1 C-N-CA 125.848 4.365 . . . . 0.0 112.209 171.077 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 3.2 mt -57.37 -45.3 85.33 Favored 'Isoleucine or valine' 0 C--N 1.373 1.624 0 CA-C-O 116.895 -1.526 . . . . 0.0 111.546 172.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 208' ' ' ILE . . . . . . . . . . . . 0.264 44.0 mt -64.15 -53.0 48.94 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 CA-C-N 121.631 2.014 . . . . 0.0 111.785 -178.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -71.47 -16.5 62.36 Favored 'General case' 0 C--N 1.296 -1.72 0 CA-C-O 118.329 -0.843 . . . . 0.0 111.642 -176.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 210' ' ' GLN . . . . . 0.42 ' OE1' ' HE3' ' A' ' 214' ' ' LYS . 4.2 tp-100 -73.45 -55.26 6.58 Favored 'General case' 0 N--CA 1.432 -1.329 0 CA-C-O 115.711 -2.09 . . . . 0.0 107.928 170.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -53.89 -36.4 62.64 Favored 'General case' 0 N--CA 1.502 2.164 0 N-CA-C 105.074 -2.195 . . . . 0.0 105.074 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 212' ' ' ARG . . . . . . . . . . . . . 12.7 mtp85 -55.49 -34.98 65.07 Favored 'General case' 0 CA--C 1.478 -1.804 0 CA-C-N 121.012 1.733 . . . . 0.0 114.92 176.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 213' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -88.02 -28.5 21.36 Favored 'General case' 0 C--O 1.159 -3.709 0 CA-C-N 124.159 3.163 . . . . 0.0 109.746 172.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 214' ' ' LYS . . . . . 0.42 ' HE3' ' OE1' ' A' ' 210' ' ' GLN . 57.8 mttt -130.31 53.45 11.76 Favored Pre-proline 0 C--O 1.272 2.26 0 O-C-N 118.402 -2.686 . . . . 0.0 110.623 -159.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -62.93 141.61 84.94 Favored 'Trans proline' 1 CA--C 1.636 5.59 0 N-CA-C 107.041 -1.946 . . . . 0.0 107.041 -170.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -133.93 -168.05 11.71 Favored Glycine 0 N--CA 1.414 -2.822 1 CA-C-O 112.594 -4.448 . . . . 0.0 116.234 163.087 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 217' ' ' THR . . . . . . . . . . . . . 69.2 p -77.9 99.07 5.85 Favored 'General case' 0 C--O 1.271 2.19 1 CA-C-N 128.654 6.227 . . . . 0.0 111.7 170.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 218' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -177.05 147.48 0.57 Allowed 'General case' 0 C--O 1.264 1.853 0 O-C-N 128.025 3.328 . . . . 0.0 108.561 173.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 219' ' ' ALA . . . . . . . . . . . . . . . -49.33 -33.57 13.62 Favored 'General case' 0 CA--C 1.598 2.81 0 O-C-N 117.146 -3.471 . . . . 0.0 115.622 -177.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 220' ' ' ILE . . . . . . . . . . . . . 31.0 mm -78.05 -35.7 20.66 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.131 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 -177.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 221' ' ' SER . . . . . . . . . . . . . 73.6 m -64.98 -32.86 74.8 Favored 'General case' 0 N--CA 1.407 -2.577 0 CA-C-O 117.603 -1.189 . . . . 0.0 113.568 167.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 222' ' ' ILE . . . . . . . . . . . . . 18.0 mm -65.75 -46.96 87.53 Favored 'Isoleucine or valine' 0 C--O 1.251 1.175 0 N-CA-C 116.18 1.919 . . . . 0.0 116.18 168.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 223' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -72.28 -8.79 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.519 2.987 0 C-N-CA 126.348 1.859 . . . . 0.0 112.793 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 224' ' ' ALA . . . . . . . . . . . . . . . -98.06 -11.82 22.52 Favored 'General case' 0 C--N 1.376 1.758 0 O-C-N 118.467 -2.646 . . . . 0.0 110.347 175.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 225' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -137.75 -9.24 1.62 Allowed 'General case' 0 C--O 1.262 1.73 0 N-CA-C 120.315 3.45 . . . . 0.0 120.315 -172.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . -60.59 153.14 37.26 Favored Glycine 1 CA--C 1.425 -5.59 0 CA-C-O 126.121 3.067 . . . . 0.0 113.977 -177.224 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 227' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -97.25 144.63 26.86 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 115.503 -2.479 . . . . 0.0 113.006 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 228' ' ' VAL . . . . . . . . . . . . . 12.1 m -147.83 118.78 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.375 1.682 0 N-CA-C 105.608 -1.997 . . . . 0.0 105.608 -173.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 48.4 t30 50.86 53.54 12.82 Favored 'General case' 0 C--N 1.398 2.702 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 -178.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 230' ' ' GLY . . . . . . . . . . . . . . . 76.77 -8.37 29.1 Favored Glycine 1 CA--C 1.578 4.029 0 CA-C-O 116.175 -2.459 . . . . 0.0 112.91 173.217 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 55.0 ptt85 -121.02 165.61 18.36 Favored Pre-proline 1 N--CA 1.54 4.075 0 CA-C-N 120.453 2.127 . . . . 0.0 112.411 174.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 232' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -74.4 161.03 40.98 Favored 'Trans proline' 0 N--CA 1.514 2.703 0 C-N-CA 122.725 2.283 . . . . 0.0 107.539 171.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 233' ' ' ILE . . . . . . . . . . . . . 20.1 tt -62.44 146.71 12.25 Favored 'Isoleucine or valine' 0 C--N 1.267 -2.998 0 C-N-CA 127.518 2.327 . . . . 0.0 112.554 160.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 234' ' ' THR . . . . . . . . . . . . . 62.1 p -105.69 160.62 15.07 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 119.303 3.075 . . . . 0.0 119.303 174.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 50.1 m -61.69 -34.83 76.45 Favored 'General case' 0 C--O 1.276 2.479 0 O-C-N 120.533 -1.354 . . . . 0.0 113.699 -171.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -71.41 -20.64 62.1 Favored 'General case' 0 C--O 1.198 -1.632 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 174.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -82.78 -47.23 12.16 Favored 'General case' 0 CA--C 1.57 1.742 0 O-C-N 119.472 -2.017 . . . . 0.0 109.429 170.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 238' ' ' ALA . . . . . . . . . . . . . . . -46.93 -50.95 18.05 Favored 'General case' 0 CA--C 1.59 2.508 0 C-N-CA 130.544 3.538 . . . . 0.0 112.269 171.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 239' ' ' LYS . . . . . 0.45 ' HE3' ' CD2' ' A' ' 201' ' ' TYR . 31.4 pttt -69.42 -28.85 66.5 Favored 'General case' 0 N--CA 1.521 3.09 1 O-C-N 129.733 4.396 . . . . 0.0 111.167 177.376 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 53.5 mtm180 -84.57 -30.42 25.05 Favored 'General case' 0 CA--C 1.576 1.971 0 CA-C-N 121.301 1.864 . . . . 0.0 109.403 -175.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 241' ' ' MET . . . . . . . . . . . . . 34.0 ttm -71.21 -55.87 7.23 Favored 'General case' 0 C--O 1.255 1.361 0 CA-C-O 126.02 2.819 . . . . 0.0 106.399 174.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 242' ' ' CYS . . . . . . . . . . . . . 7.7 m -44.33 -42.17 6.59 Favored 'General case' 0 C--N 1.388 2.264 0 N-CA-C 118.824 2.898 . . . . 0.0 118.824 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -55.51 -57.44 18.65 Favored Glycine 0 N--CA 1.397 -3.905 0 CA-C-O 118.179 -1.345 . . . . 0.0 113.698 176.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 244' ' ' LEU . . . . . . . . . . . . . 38.4 tp -58.01 -52.85 63.8 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 174.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 19.4 mt -50.31 -38.04 39.65 Favored 'General case' 0 N--CA 1.42 -1.931 1 O-C-N 114.418 -5.176 . . . . 0.0 118.017 179.445 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 246' ' ' LEU . . . . . . . . . . . . . 45.9 mt -79.49 -36.52 38.49 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 113.66 -1.609 . . . . 0.0 108.902 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 2.7 t -61.53 -21.33 25.09 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.075 1 O-C-N 115.765 -4.334 . . . . 0.0 116.632 162.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -69.88 -82.22 0.22 Allowed Glycine 0 CA--C 1.46 -3.379 0 N-CA-C 109.189 -1.564 . . . . 0.0 109.189 161.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 249' ' ' GLY . . . . . . . . . . . . . . . -57.75 -16.86 25.48 Favored Glycine 1 C--O 1.297 4.043 0 N-CA-C 119.269 2.468 . . . . 0.0 119.269 -170.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 4.1 mt -111.4 11.24 21.5 Favored 'General case' 0 N--CA 1.509 2.495 0 O-C-N 125.79 1.524 . . . . 0.0 113.029 177.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -142.39 -68.18 0.37 Allowed 'General case' 0 N--CA 1.511 2.617 0 C-N-CA 117.964 -1.494 . . . . 0.0 113.189 170.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 252' ' ' THR . . . . . . . . . . . . 0.31 69.7 p -39.28 -44.19 1.23 Allowed 'General case' 0 C--O 1.193 -1.92 0 O-C-N 116.742 -3.724 . . . . 0.0 115.183 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 253' ' ' VAL . . . . . . . . . . . . . 1.2 p -84.4 -32.8 8.26 Favored 'Isoleucine or valine' 0 N--CA 1.519 3.005 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 -173.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 53.0 t -65.51 -33.39 63.34 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.485 0 CA-C-O 123.212 1.482 . . . . 0.0 112.433 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 255' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -82.37 -36.61 26.64 Favored 'General case' 0 C--O 1.269 2.083 0 CA-C-O 117.198 -1.382 . . . . 0.0 112.003 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 256' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -62.22 -42.67 99.51 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-O 113.081 -3.342 . . . . 0.0 114.036 178.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 257' ' ' LEU . . . . . . . . . . . . . 39.8 mt -51.96 -49.7 62.68 Favored 'General case' 0 C--O 1.241 0.627 1 O-C-N 129.987 4.554 . . . . 0.0 111.607 172.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 51.0 m -68.73 -44.47 73.76 Favored 'General case' 0 N--CA 1.495 1.783 1 O-C-N 115.475 -4.516 . . . . 0.0 113.961 -170.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 259' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -64.43 -31.2 72.32 Favored 'General case' 0 N--CA 1.398 -3.031 0 O-C-N 124.062 0.851 . . . . 0.0 110.513 167.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 260' ' ' SER . . . . . . . . . . . . . 75.3 m -68.37 -27.47 66.27 Favored 'General case' 0 C--O 1.26 1.626 0 CA-C-O 113.903 -2.951 . . . . 0.0 117.029 176.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 261' ' ' MET . . . . . . . . . . . . . 72.3 mmm -95.25 -23.4 17.25 Favored 'General case' 0 CA--C 1.506 -0.744 1 O-C-N 130.451 4.845 . . . . 0.0 113.737 177.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 262' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -61.3 -35.68 78.02 Favored 'General case' 0 C--N 1.382 1.981 0 CA-C-O 122.372 1.082 . . . . 0.0 111.411 169.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 263' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -60.66 -59.43 5.4 Favored 'General case' 0 C--N 1.312 -1.058 0 C-N-CA 126.49 1.916 . . . . 0.0 111.166 169.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 264' ' ' LEU . . . . . . . . . . . . . 44.2 mt -65.98 -42.11 90.25 Favored 'General case' 0 N--CA 1.532 3.672 0 CA-C-O 124.969 2.319 . . . . 0.0 110.745 -171.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 265' ' ' ALA . . . . . . . . . . . . . . . -44.99 -44.17 9.71 Favored 'General case' 0 C--N 1.372 1.566 0 O-C-N 116.555 -3.84 . . . . 0.0 113.238 175.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 266' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm -86.79 -0.11 55.79 Favored 'General case' 0 C--N 1.368 1.383 0 O-C-N 125.789 1.931 . . . . 0.0 111.416 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 267' ' ' SER . . . . . . . . . . . . 0.299 43.4 m -125.89 95.7 39.18 Favored Pre-proline 0 C--O 1.267 1.985 0 O-C-N 119.42 -2.05 . . . . 0.0 108.302 -168.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -84.27 -4.1 10.24 Favored 'Trans proline' 0 N--CA 1.441 -1.587 0 CA-C-N 120.894 1.355 . . . . 0.0 113.635 -176.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 269' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -81.4 -52.5 7.21 Favored 'General case' 0 N--CA 1.439 -1.019 0 C-N-CA 125.915 1.686 . . . . 0.0 107.936 175.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 270' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -61.83 -33.33 73.97 Favored 'General case' 0 N--CA 1.423 -1.815 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 271' ' ' ARG . . . . . . . . . . . . . 73.3 mtm-85 -63.89 -30.0 71.13 Favored 'General case' 0 CA--C 1.615 3.453 0 CA-C-N 120.357 1.435 . . . . 0.0 110.304 178.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 272' ' ' GLN . . . . . . . . . . . . . 55.4 tp60 -69.79 -49.32 53.91 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 173.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -46.37 -44.26 16.86 Favored 'General case' 0 CA--C 1.481 -1.679 0 C-N-CA 127.485 2.314 . . . . 0.0 109.603 177.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 274' ' ' LEU . . . . . . . . . . . . . 18.6 mt -73.22 -18.5 61.23 Favored 'General case' 0 N--CA 1.501 2.088 0 CA-C-O 114.821 -2.514 . . . . 0.0 114.685 -178.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 275' ' ' ILE . . . . . . . . . . . . . 29.8 pt -101.78 -20.15 5.7 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.967 0 C-N-CA 127.775 2.43 . . . . 0.0 115.823 173.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 276' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -71.01 -38.42 72.65 Favored 'General case' 0 C--O 1.191 -1.982 0 C-N-CA 115.947 -2.301 . . . . 0.0 114.014 163.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 277' ' ' ARG . . . . . . . . . . . . . 58.7 mmt-85 -131.19 64.03 72.13 Favored Pre-proline 0 CA--C 1.576 1.975 0 N-CA-C 116.538 2.051 . . . . 0.0 116.538 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -44.76 -34.48 8.4 Favored 'Trans proline' 0 N--CA 1.498 1.754 0 C-N-CA 122.329 2.019 . . . . 0.0 115.323 172.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 279' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -55.82 -50.2 71.18 Favored 'General case' 0 CA--C 1.48 -1.713 0 C-N-CA 127.734 2.413 . . . . 0.0 112.821 173.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 45.3 ttm180 -63.89 -9.96 18.13 Favored 'General case' 0 C--N 1.382 1.99 0 C-N-CA 125.595 1.558 . . . . 0.0 113.795 -176.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 281' ' ' ILE . . . . . . . . . . . . . 38.2 mt -46.8 -36.84 7.75 Favored Pre-proline 1 CA--C 1.635 4.244 0 CA-C-O 114.397 -2.716 . . . . 0.0 114.552 -172.089 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 282' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -54.66 -33.54 80.04 Favored 'Trans proline' 0 C--N 1.345 0.349 0 O-C-N 125.338 2.23 . . . . 0.0 114.276 173.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 283' ' ' ALA . . . . . . . . . . . . 0.298 . . -65.04 -58.98 4.67 Favored 'General case' 0 CA--C 1.494 -1.181 0 N-CA-C 117.442 2.386 . . . . 0.0 117.442 169.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 284' ' ' ALA . . . . . . . . . . . . . . . -44.6 -52.37 8.18 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 126.01 2.068 . . . . 0.0 111.752 168.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 285' ' ' CYS . . . . . . . . . . . . . 42.6 t -54.95 -50.46 68.84 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 119.791 -1.818 . . . . 0.0 110.257 -178.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -68.48 -31.34 70.55 Favored 'General case' 0 CA--C 1.568 1.65 0 C-N-CA 123.808 0.843 . . . . 0.0 112.072 176.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 287' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -64.42 -39.66 94.27 Favored 'General case' 0 CA--C 1.58 2.117 0 O-C-N 118.922 -2.361 . . . . 0.0 109.674 167.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 288' ' ' LEU . . . . . . . . . . . . . 3.4 mt -72.1 -43.7 64.39 Favored 'General case' 0 C--N 1.315 -0.904 1 O-C-N 116.154 -4.092 . . . . 0.0 105.76 -177.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 289' ' ' LEU . . . . . . . . . . . . . 35.3 tp -49.69 -41.49 43.36 Favored 'General case' 0 C--N 1.414 3.377 0 C-N-CA 126.394 1.878 . . . . 0.0 106.4 173.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 290' ' ' ARG . . . . . 0.42 ' HB2' HG11 ' A' ' 345' ' ' VAL . 60.1 ttp85 -69.86 -58.22 4.14 Favored 'General case' 0 N--CA 1.503 2.222 0 N-CA-C 103.616 -2.735 . . . . 0.0 103.616 -177.275 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 291' ' ' ARG . . . . . . . . . . . . . 13.1 tpt85 -69.24 -20.31 63.94 Favored 'General case' 0 C--O 1.259 1.566 0 N-CA-C 115.648 1.721 . . . . 0.0 115.648 -163.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 292' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -124.22 58.77 1.18 Allowed 'General case' 0 C--O 1.183 -2.403 0 CA-C-O 126.674 3.13 . . . . 0.0 113.071 169.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.67 -2.8 9.99 Favored 'General case' 0 CA--C 1.611 3.322 0 O-C-N 116.604 -3.81 . . . . 0.0 119.085 -168.097 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . 0.303 1.9 pp 44.63 -31.01 0.0 OUTLIER 'General case' 0 CA--C 1.581 2.168 1 N-CA-C 122.469 4.248 . . . . 0.0 122.469 161.455 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 60.9 t -86.27 142.35 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 CA-C-N 121.33 1.877 . . . . 0.0 115.839 178.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 296' ' ' ALA . . . . . . . . . . . . . . . -125.35 117.84 24.62 Favored 'General case' 0 C--O 1.256 1.425 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 162.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.17 146.11 39.82 Favored 'General case' 0 CA--C 1.559 1.308 0 N-CA-C 114.828 1.418 . . . . 0.0 114.828 -176.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 298' ' ' GLY . . . . . . . . . . . . . . . -99.83 54.83 0.92 Allowed Glycine 0 C--O 1.209 -1.441 1 C-N-CA 131.948 4.594 . . . . 0.0 117.322 -158.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 299' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -54.9 134.79 48.56 Favored 'General case' 0 C--O 1.192 -1.945 0 O-C-N 127.706 2.651 . . . . 0.0 110.795 -161.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 300' ' ' ILE . . . . . . . . . . . . . 32.8 mm -84.86 134.52 26.83 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.829 0 CA-C-O 126.57 3.081 . . . . 0.0 111.374 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -82.43 130.12 35.04 Favored 'General case' 0 C--O 1.286 2.977 1 O-C-N 115.798 -4.313 . . . . 0.0 108.994 175.099 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 302' ' ' THR . . . . . . . . . . . . . 71.4 p -83.94 -28.66 27.68 Favored 'General case' 0 N--CA 1.515 2.809 0 CA-C-O 117.705 -1.141 . . . . 0.0 110.096 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 78.1 p -158.64 -59.74 0.07 Allowed 'General case' 0 C--N 1.256 -3.486 0 N-CA-C 114.932 1.456 . . . . 0.0 114.932 -155.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 304' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -168.52 167.17 11.79 Favored 'General case' 0 CA--C 1.571 1.772 0 C-N-CA 128.153 2.581 . . . . 0.0 112.361 -176.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 305' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -168.74 127.43 1.09 Allowed 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 164.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -104.49 128.31 52.39 Favored 'General case' 0 CA--C 1.568 1.644 0 CA-C-O 116.17 -1.871 . . . . 0.0 112.183 173.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 307' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -149.98 142.56 24.49 Favored 'General case' 0 N--CA 1.435 -1.181 0 O-C-N 126.993 2.683 . . . . 0.0 114.53 167.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 308' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 33.0 41.72 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.876 0 CA-C-O 127.577 3.561 . . . . 0.0 120.229 -177.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 309' ' ' GLY . . . . . . . . . . . . . . . 83.64 -6.92 71.34 Favored Glycine 0 CA--C 1.566 3.251 1 C-N-CA 131.339 4.304 . . . . 0.0 117.732 -177.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 310' ' ' VAL . . . . . . . . . . . . . 33.3 t -94.53 159.86 2.78 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.275 0 O-C-N 125.393 1.29 . . . . 0.0 110.287 178.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 311' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -140.55 138.65 34.66 Favored 'General case' 0 N--CA 1.432 -1.329 0 CA-C-N 120.28 1.4 . . . . 0.0 111.38 -179.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 312' ' ' LEU . . . . . . . . . . . . 0.256 63.2 mt -96.57 163.7 12.92 Favored 'General case' 0 CA--C 1.552 1.057 0 CA-C-N 118.5 0.591 . . . . 0.0 112.224 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -116.51 157.77 24.68 Favored 'General case' 0 C--N 1.264 -3.128 0 CA-C-O 127.344 3.45 . . . . 0.0 106.576 -168.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 40.4 tttp -49.41 129.66 18.99 Favored 'General case' 0 CA--C 1.625 3.861 1 O-C-N 116.103 -4.123 . . . . 0.0 110.506 159.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 315' ' ' GLY . . . . . . . . . . . . . . . 94.08 -17.05 59.59 Favored Glycine 1 CA--C 1.582 4.267 0 CA-C-O 115.907 -2.607 . . . . 0.0 110.59 176.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -73.94 -169.37 0.74 Allowed 'General case' 0 C--O 1.265 1.902 0 CA-C-N 120.104 1.952 . . . . 0.0 113.213 -179.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 317' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -165.68 159.1 16.04 Favored 'General case' 0 C--O 1.19 -2.054 0 O-C-N 118.439 -2.663 . . . . 0.0 112.065 -178.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 15.8 tt -138.97 129.27 32.57 Favored 'Isoleucine or valine' 0 C--O 1.263 1.808 0 N-CA-C 115.483 1.66 . . . . 0.0 115.483 175.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 319' ' ' LEU . . . . . . . . . . . . . 48.9 tp -73.45 129.01 37.09 Favored 'General case' 0 CA--C 1.573 1.833 0 C-N-CA 125.634 1.574 . . . . 0.0 108.751 -177.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 18.6 mt -114.07 97.07 44.18 Favored Pre-proline 0 C--O 1.289 3.151 0 O-C-N 118.757 -2.465 . . . . 0.0 105.437 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 321' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -64.17 105.05 0.54 Allowed 'Trans proline' 0 C--O 1.275 2.367 0 C-N-CA 123.385 2.723 . . . . 0.0 114.05 170.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 322' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -61.29 -34.91 75.99 Favored 'General case' 0 N--CA 1.425 -1.713 0 CA-C-O 113.885 -2.959 . . . . 0.0 111.791 170.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.02 -22.67 0.64 Allowed 'General case' 0 CA--C 1.56 1.347 0 O-C-N 127.066 2.729 . . . . 0.0 115.268 163.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 94.6 mt -110.89 -20.86 12.31 Favored 'General case' 0 CA--C 1.573 1.865 0 CA-C-O 127.138 3.352 . . . . 0.0 114.277 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 325' ' ' SER . . . . . . . . . . . . . 4.0 t -58.36 -42.41 86.9 Favored 'General case' 0 C--O 1.301 3.773 0 O-C-N 118.263 -2.773 . . . . 0.0 111.757 158.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 326' ' ' GLY . . . . . . . . . . . . . . . -71.78 1.49 30.2 Favored Glycine 0 N--CA 1.503 3.139 0 O-C-N 119.662 -1.899 . . . . 0.0 113.258 175.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 12.2 tp -129.57 -19.55 3.37 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 119.033 -2.451 . . . . 0.0 112.847 -171.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 328' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -62.88 127.59 31.97 Favored 'General case' 0 C--N 1.283 -2.321 0 CA-C-N 123.517 2.871 . . . . 0.0 114.869 -175.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -83.29 -1.77 54.04 Favored 'General case' 0 CA--C 1.47 -2.116 0 C-N-CA 127.049 2.14 . . . . 0.0 106.359 -168.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -74.41 -28.95 61.31 Favored 'General case' 0 N--CA 1.528 3.434 0 C-N-CA 130.192 3.397 . . . . 0.0 112.269 162.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 331' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -118.06 -38.41 3.23 Favored 'General case' 0 CA--C 1.556 1.205 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 -172.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 332' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -111.9 124.79 53.12 Favored 'General case' 0 C--N 1.267 -3.011 0 CA-C-O 127.38 3.467 . . . . 0.0 105.288 -163.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -65.89 -46.58 77.82 Favored 'General case' 0 C--O 1.26 1.632 1 O-C-N 113.725 -5.61 . . . . 0.0 114.727 -176.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 334' ' ' CYS . . . . . . . . . . . . . 1.3 m -120.53 94.09 48.66 Favored Pre-proline 0 N--CA 1.416 -2.161 0 C-N-CA 126.192 1.797 . . . . 0.0 112.82 177.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -58.53 -68.95 0.04 OUTLIER 'Trans proline' 0 CA--C 1.545 1.026 1 C-N-CA 127.609 5.539 . . . . 0.0 115.331 -171.052 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 17.6 mmt -83.57 -38.55 21.51 Favored 'General case' 0 C--O 1.161 -3.595 0 N-CA-C 118.268 2.692 . . . . 0.0 118.268 174.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 337' ' ' HIS . . . . . . . . . . . . . 33.3 t-80 -56.08 140.7 42.92 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 112.21 -2.268 . . . . 0.0 112.097 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 338' ' ' VAL . . . . . . . . . . . . 0.29 9.2 p -134.39 109.03 11.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 117.01 2.226 . . . . 0.0 117.01 -171.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 339' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -137.58 141.82 41.31 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 126.188 1.795 . . . . 0.0 108.503 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 340' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -83.67 4.43 28.6 Favored 'General case' 0 CA--C 1.571 1.772 0 O-C-N 118.432 -2.668 . . . . 0.0 109.575 -170.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 341' ' ' SER . . . . . . . . . . . . . 4.0 m -123.8 28.08 7.03 Favored 'General case' 0 N--CA 1.507 2.392 0 CA-C-N 121.724 2.056 . . . . 0.0 114.403 -169.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -91.99 150.63 20.89 Favored 'General case' 0 N--CA 1.529 3.489 0 O-C-N 126.47 2.356 . . . . 0.0 110.539 169.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -82.49 162.6 21.99 Favored 'General case' 0 C--O 1.2 -1.539 0 CA-C-O 123.49 1.614 . . . . 0.0 113.272 -175.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 344' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -37.27 135.19 0.54 Allowed 'General case' 0 CA--C 1.502 -0.895 0 O-C-N 116.93 -3.606 . . . . 0.0 116.783 -156.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 345' ' ' VAL . . . . . 0.42 HG11 ' HB2' ' A' ' 290' ' ' ARG . 14.3 m -65.32 165.26 1.63 Allowed 'Isoleucine or valine' 0 C--O 1.196 -1.738 0 N-CA-C 117.73 2.492 . . . . 0.0 117.73 173.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 346' ' ' SER . . . . . . . . . . . . . 70.7 m -118.98 -10.11 9.92 Favored 'General case' 0 CA--C 1.581 2.156 0 C-N-CA 125.5 1.52 . . . . 0.0 113.296 -163.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 347' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -77.5 -148.45 0.03 OUTLIER 'General case' 0 N--CA 1.433 -1.322 0 CA-C-O 124.885 2.279 . . . . 0.0 114.122 -170.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 348' ' ' THR . . . . . . . . . . . . . 1.7 p -138.78 2.31 2.17 Favored 'General case' 0 C--N 1.379 1.861 0 CA-C-O 115.046 -2.407 . . . . 0.0 114.181 -164.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 349' ' ' THR . . . . . . . . . . . . . 1.3 m -65.51 41.65 0.02 OUTLIER 'General case' 0 C--O 1.27 2.151 0 C-N-CA 127.573 2.349 . . . . 0.0 114.215 172.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 53.3 p90 179.57 -3.21 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.736 1 C-N-CA 132.043 4.137 . . . . 0.0 118.194 -176.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 351' ' ' GLY . . . . . 0.431 ' HA3' ' HA ' ' A' ' 356' ' ' LEU . . . 112.6 176.96 19.8 Favored Glycine 0 N--CA 1.511 3.644 0 CA-C-O 126.661 3.367 . . . . 0.0 110.321 178.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 352' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -165.32 -112.19 0.01 OUTLIER 'General case' 0 C--O 1.191 -2.015 0 CA-C-O 115.751 -2.071 . . . . 0.0 108.642 -178.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . -95.04 -39.94 4.43 Favored Glycine 0 CA--C 1.47 -2.764 0 CA-C-N 123.987 3.085 . . . . 0.0 112.905 -177.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 354' ' ' SER . . . . . . . . . . . . . 70.8 p -84.22 -44.39 13.97 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 114.578 -2.629 . . . . 0.0 112.334 -166.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 355' ' ' HIS . . . . . 0.431 ' HD1' ' CGD' ' A' ' 501' ' ' HEM . 2.6 m-70 -133.2 177.72 7.46 Favored 'General case' 0 N--CA 1.382 -3.829 0 CA-C-N 120.697 1.589 . . . . 0.0 106.863 171.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 356' ' ' LEU . . . . . 0.431 ' HA ' ' HA3' ' A' ' 351' ' ' GLY . 18.8 tp -154.39 137.94 15.98 Favored 'General case' 0 C--O 1.26 1.637 0 O-C-N 119.102 -2.249 . . . . 0.0 108.842 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 357' ' ' CYS . . . . . . . . . . . . . 47.7 t -61.81 122.47 15.48 Favored 'General case' 0 C--N 1.373 1.62 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 171.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 358' ' ' LEU . . . . . . . . . . . . . 29.9 mt -79.0 -25.7 43.33 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 120.02 -1.675 . . . . 0.0 114.141 177.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 359' ' ' GLY . . . . . 0.498 ' HA3' ' C3C' ' A' ' 501' ' ' HEM . . . -120.31 -19.11 3.96 Favored Glycine 1 CA--C 1.591 4.79 0 CA-C-O 115.249 -2.973 . . . . 0.0 115.413 -161.716 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . 0.376 3.9 pt20 -47.21 -24.23 0.68 Allowed 'General case' 0 C--O 1.281 2.743 0 CA-C-N 123.896 3.848 . . . . 0.0 113.743 178.368 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 361' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -53.62 -36.61 62.19 Favored 'General case' 0 CA--C 1.489 -1.392 0 CA-C-N 122.597 2.453 . . . . 0.0 117.505 168.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 362' ' ' LEU . . . . . . . . . . . . . 17.8 mt -65.05 -57.1 9.51 Favored 'General case' 0 N--CA 1.518 2.94 0 C-N-CA 126.246 1.818 . . . . 0.0 113.229 168.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -52.75 -54.72 29.86 Favored 'General case' 0 N--CA 1.401 -2.891 0 O-C-N 124.899 1.374 . . . . 0.0 113.603 174.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 364' ' ' ARG . . . . . . . . . . . . . 28.8 mtp180 -63.87 -31.25 72.36 Favored 'General case' 0 CA--C 1.579 2.087 0 CA-C-O 112.899 -3.429 . . . . 0.0 109.514 -178.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 365' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -65.1 -50.86 64.47 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-O 114.942 -2.456 . . . . 0.0 109.711 169.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.01 -29.69 71.02 Favored 'General case' 0 CA--C 1.566 1.589 0 O-C-N 125.725 1.891 . . . . 0.0 106.54 -174.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 367' ' ' ILE . . . . . . . . . . . . . 2.0 mm -62.83 -60.23 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 CA-C-N 120.958 1.708 . . . . 0.0 110.724 168.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . 69.4 mt -57.79 -24.58 23.24 Favored 'Isoleucine or valine' 0 C--O 1.182 -2.493 0 N-CA-C 117.698 2.481 . . . . 0.0 117.698 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 369' ' ' VAL . . . . . . . . . . . . . 45.9 t -79.59 -40.88 21.72 Favored 'Isoleucine or valine' 0 C--O 1.181 -2.515 0 O-C-N 126.865 2.603 . . . . 0.0 109.776 169.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 370' ' ' THR . . . . . . . . . . . . . 51.9 m -58.43 -44.19 89.03 Favored 'General case' 0 C--O 1.205 -1.258 0 CA-C-N 122.045 2.202 . . . . 0.0 111.989 177.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 10.9 mt -66.52 -1.1 3.24 Favored 'General case' 0 CA--C 1.56 1.358 0 N-CA-C 116.242 1.942 . . . . 0.0 116.242 -178.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 372' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -111.83 -64.0 1.35 Allowed 'General case' 0 C--N 1.286 -2.168 0 O-C-N 127.213 2.821 . . . . 0.0 109.768 171.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -70.2 -21.16 63.06 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 117.176 -1.81 . . . . 0.0 113.783 -167.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 374' ' ' TRP . . . . . . . . . . . . 0.325 8.4 t-105 -74.06 -39.44 63.49 Favored 'General case' 1 N--CA 1.55 4.566 0 O-C-N 119.362 -2.086 . . . . 0.0 113.11 168.856 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.85 -48.83 34.25 Favored 'General case' 0 CA--C 1.462 -2.43 0 C-N-CA 128.294 2.638 . . . . 0.0 115.92 -171.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 376' ' ' THR . . . . . . . . . . . . . 34.9 p -47.48 -35.81 9.25 Favored 'General case' 1 N--CA 1.544 4.228 0 C-N-CA 128.092 2.557 . . . . 0.0 112.075 167.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 67.1 mtt85 -95.93 -57.21 2.42 Favored 'General case' 0 CA--C 1.498 -1.025 0 N-CA-C 105.047 -2.205 . . . . 0.0 105.047 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 378' ' ' ILE . . . . . . . . . . . . . 22.0 mt -114.84 75.31 3.74 Favored Pre-proline 0 N--CA 1.517 2.884 0 O-C-N 118.274 -2.766 . . . . 0.0 110.078 -162.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -78.12 -25.23 7.47 Favored 'Trans proline' 0 C--N 1.367 1.513 0 CA-C-N 123.164 2.166 . . . . 0.0 113.863 -173.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -108.75 133.72 52.44 Favored 'General case' 0 C--O 1.273 2.323 0 CA-C-O 112.787 -3.482 . . . . 0.0 111.182 175.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 381' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -166.24 151.13 8.11 Favored 'General case' 0 C--N 1.306 -1.289 0 C-N-CA 129.427 3.091 . . . . 0.0 113.69 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 44.4 m -146.48 155.56 42.63 Favored 'General case' 0 N--CA 1.485 1.295 0 O-C-N 118.906 -2.371 . . . . 0.0 105.896 -174.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 383' ' ' ILE . . . . . . . . . . . . . 8.2 mt -68.39 140.31 19.24 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.733 0 O-C-N 120.056 -1.652 . . . . 0.0 106.894 175.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 384' ' ' ALA . . . . . . . . . . . . . . . -52.44 142.79 29.39 Favored Pre-proline 0 N--CA 1.51 2.561 0 C-N-CA 126.076 1.75 . . . . 0.0 109.786 -174.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 385' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -68.64 140.64 47.72 Favored 'Trans proline' 0 C--O 1.181 -2.358 0 C-N-CA 122.88 2.387 . . . . 0.0 112.343 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 386' ' ' GLY . . . . . . . . . . . . . . . 74.79 -12.37 6.33 Favored Glycine 0 CA--C 1.576 3.861 0 CA-C-O 116.832 -2.093 . . . . 0.0 115.632 -174.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 387' ' ' ALA . . . . . . . . . . . . . . . -67.71 159.75 29.47 Favored 'General case' 0 N--CA 1.506 2.353 0 C-N-CA 127.857 2.463 . . . . 0.0 110.905 167.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -146.25 156.79 43.63 Favored 'General case' 0 N--CA 1.442 -0.83 0 O-C-N 118.757 -2.465 . . . . 0.0 111.385 157.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 389' ' ' ILE . . . . . . . . . . . . . 15.7 mm -98.52 144.12 12.03 Favored 'Isoleucine or valine' 0 CA--C 1.593 2.61 0 CA-C-O 124.394 2.045 . . . . 0.0 108.664 -175.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -135.01 104.35 5.92 Favored 'General case' 0 C--N 1.29 -2.001 1 C-N-CA 132.494 4.318 . . . . 0.0 109.405 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 391' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -70.02 152.48 44.36 Favored 'General case' 0 C--O 1.26 1.644 0 C-N-CA 126.99 2.116 . . . . 0.0 109.097 175.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 14.9 mmmm -128.32 74.82 1.58 Allowed 'General case' 0 C--O 1.191 -2.023 0 CA-C-O 126.385 2.993 . . . . 0.0 110.858 -175.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 34.1 t -51.38 157.74 0.96 Allowed 'General case' 0 N--CA 1.509 2.5 0 CA-C-N 112.408 -2.178 . . . . 0.0 112.438 171.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . 158.38 -174.23 35.53 Favored Glycine 0 N--CA 1.504 3.197 0 N-CA-C 108.913 -1.675 . . . . 0.0 108.913 -177.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 395' ' ' ILE . . . . . . . . . . . . . 4.4 pt -55.12 -42.43 65.15 Favored 'Isoleucine or valine' 0 C--O 1.25 1.121 0 C-N-CA 124.096 0.959 . . . . 0.0 110.041 -175.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 396' ' ' VAL . . . . . . . . . . . . . 85.0 t -122.51 135.08 63.78 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.181 0 N-CA-C 104.799 -2.297 . . . . 0.0 104.799 157.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 397' ' ' SER . . . . . . . . . . . . 0.299 17.0 m -100.62 155.09 18.07 Favored 'General case' 0 C--O 1.189 -2.081 0 O-C-N 116.638 -3.789 . . . . 0.0 114.066 -168.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . -132.69 -167.42 11.74 Favored Glycine 1 CA--C 1.582 4.27 0 CA-C-O 117.262 -1.855 . . . . 0.0 115.101 177.089 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 399' ' ' VAL . . . . . . . . . . . . . 14.2 p -136.35 150.65 27.75 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.943 0 CA-C-O 123.162 1.458 . . . . 0.0 109.287 170.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 400' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -63.85 -32.08 73.48 Favored 'General case' 0 CA--C 1.569 1.676 0 CA-C-N 112.55 -2.114 . . . . 0.0 110.349 -168.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' ALA . . . . . . . . . . . . . . . 174.53 168.5 0.25 Allowed 'General case' 0 N--CA 1.423 -1.824 0 C-N-CA 131.067 3.747 . . . . 0.0 104.952 -166.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 402' ' ' LEU . . . . . . . . . . . . . 49.5 tp -150.58 81.55 6.49 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-O 124.137 1.923 . . . . 0.0 109.345 168.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 403' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -73.71 100.05 1.22 Allowed 'Trans proline' 0 C--O 1.241 0.662 1 C-N-CA 128.112 5.875 . . . . 0.0 112.465 177.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 62.4 mt -97.7 154.52 17.52 Favored 'General case' 0 C--O 1.191 -1.975 0 N-CA-C 116.913 2.19 . . . . 0.0 116.913 175.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 5.8 m -133.51 159.68 42.63 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.601 0 C-N-CA 128.299 2.64 . . . . 0.0 114.849 169.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 406' ' ' TRP . . . . . . . . . . . . . 47.7 p90 -163.21 144.58 9.62 Favored 'General case' 0 C--N 1.379 1.883 0 CA-C-O 116.558 -1.687 . . . . 0.0 110.532 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 407' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -57.67 119.9 36.93 Favored Pre-proline 0 C--O 1.257 1.491 0 C-N-CA 118.786 -1.166 . . . . 0.0 111.317 158.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -74.82 -29.83 8.15 Favored 'Trans proline' 0 CA--C 1.569 2.256 0 C-N-CA 123.077 2.518 . . . . 0.0 113.281 -171.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -66.42 -2.37 4.51 Favored 'General case' 0 CA--C 1.562 1.405 0 CA-C-O 123.791 1.758 . . . . 0.0 112.826 173.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 51.4 p -66.86 -29.59 69.54 Favored 'General case' 0 C--N 1.291 -1.96 0 O-C-N 117.35 -3.344 . . . . 0.0 111.853 171.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 411' ' ' THR . . . . . . . . . . . . . 30.9 p -83.93 165.24 18.84 Favored 'General case' 1 N--CA 1.546 4.344 0 C-N-CA 127.455 2.302 . . . . 0.0 113.506 -166.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 412' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -133.48 149.14 51.74 Favored 'General case' 0 N--CA 1.47 0.563 1 O-C-N 115.009 -4.807 . . . . 0.0 110.367 170.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -68.62 126.76 30.69 Favored 'General case' 0 C--O 1.288 3.119 0 C-N-CA 118.71 -1.196 . . . . 0.0 110.975 170.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . . . . . . . . . 52.8 t . . . . . 0 N--CA 1.42 -1.939 0 N-CA-C 103.576 -2.75 . . . . 0.0 103.576 172.935 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 501' ' ' HEM . . . . . 0.498 ' C3C' ' HA3' ' A' ' 359' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 502' ' ' CMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 503' ' ' ' K' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 601' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 603' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 604' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 608' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 609' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 610' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 611' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 612' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 613' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 614' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 615' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 616' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 617' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 618' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 619' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 620' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 621' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 622' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 623' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 624' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 625' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 626' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 627' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 . . . . . 0 N--CA 1.495 1.82 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.4 tp -130.53 137.86 49.92 Favored 'General case' 0 N--CA 1.534 3.731 0 O-C-N 116.488 -3.882 . . . . 0.0 113.678 -178.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.07 153.04 55.12 Favored Pre-proline 0 N--CA 1.513 2.688 0 O-C-N 117.469 -3.269 . . . . 0.0 112.948 -169.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -77.5 161.76 31.08 Favored 'Trans proline' 0 CA--C 1.568 2.198 0 C-N-CA 123.327 2.685 . . . . 0.0 109.1 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.1 tp -85.39 133.01 43.22 Favored Pre-proline 0 C--O 1.203 -1.37 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 -161.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -81.01 115.47 3.0 Favored 'Trans proline' 0 C--N 1.387 2.586 0 N-CA-C 104.613 -2.88 . . . . 0.0 104.613 178.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -69.06 -0.64 6.62 Favored 'Trans proline' 0 CA--C 1.582 2.903 0 O-C-N 118.53 -1.352 . . . . 0.0 115.435 -167.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.5 p-80 -71.34 -27.68 63.54 Favored 'General case' 0 N--CA 1.509 2.523 0 C-N-CA 118.639 -1.224 . . . . 0.0 112.421 165.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.8 t -69.54 128.48 92.15 Favored Pre-proline 0 N--CA 1.502 2.163 0 O-C-N 119.24 -2.163 . . . . 0.0 111.049 159.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -86.74 136.41 4.41 Favored 'Trans proline' 0 N--CA 1.433 -2.048 1 C-N-CA 126.571 4.847 . . . . 0.0 106.173 169.342 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -65.61 -34.6 78.61 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 119.611 -1.931 . . . . 0.0 112.244 -161.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 11.2 p80 -53.8 -21.14 6.8 Favored 'General case' 0 CA--C 1.608 3.181 0 CA-C-N 120.71 1.596 . . . . 0.0 110.872 -169.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.6 mt -74.96 -30.43 61.2 Favored 'General case' 0 C--N 1.284 -2.261 0 N-CA-C 114.746 1.387 . . . . 0.0 114.746 174.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 80.5 t -59.58 135.82 23.79 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.222 0 CA-C-O 114.289 -2.767 . . . . 0.0 113.74 -166.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -134.64 137.6 43.78 Favored 'General case' 0 C--O 1.242 0.696 0 O-C-N 125.833 1.958 . . . . 0.0 110.476 176.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -79.3 116.89 19.83 Favored 'General case' 0 C--N 1.367 1.351 0 O-C-N 126.343 2.277 . . . . 0.0 112.346 168.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -176.7 122.66 0.15 Allowed 'General case' 0 N--CA 1.516 2.835 0 O-C-N 125.84 1.963 . . . . 0.0 114.686 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -100.55 135.66 41.64 Favored 'General case' 0 C--N 1.342 0.277 0 C-N-CA 125.901 1.681 . . . . 0.0 114.76 170.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.2 ptt? -58.51 -25.26 62.2 Favored 'General case' 0 C--N 1.358 0.961 0 N-CA-C 118.538 2.792 . . . . 0.0 118.538 175.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -99.59 -24.73 14.65 Favored 'General case' 0 C--O 1.249 1.054 0 O-C-N 117.783 -3.073 . . . . 0.0 116.598 173.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -121.52 80.25 38.52 Favored Pre-proline 0 CA--C 1.593 2.634 0 N-CA-C 119.888 3.292 . . . . 0.0 119.888 162.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -71.14 -166.85 0.25 Allowed 'Trans proline' 0 C--O 1.281 2.658 0 C-N-CA 123.577 2.851 . . . . 0.0 108.508 -174.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 92.4 p -65.22 -14.39 60.56 Favored 'General case' 0 N--CA 1.513 2.713 1 O-C-N 111.709 -6.87 . . . . 0.0 117.552 -164.42 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.4 t30 -171.53 115.25 0.39 Allowed 'General case' 0 C--O 1.254 1.315 0 C-N-CA 119.745 -0.782 . . . . 0.0 112.543 -173.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.6 mt -66.21 -7.91 21.13 Favored 'General case' 0 C--N 1.393 2.461 0 CA-C-O 126.049 2.833 . . . . 0.0 115.605 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 54.7 m -94.03 -8.91 38.5 Favored 'General case' 0 N--CA 1.517 2.881 1 O-C-N 115.599 -4.438 . . . . 0.0 113.999 179.156 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -97.72 167.7 10.79 Favored 'General case' 0 N--CA 1.502 2.13 0 C-N-CA 123.977 0.911 . . . . 0.0 113.062 175.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.48 145.23 30.17 Favored Glycine 1 N--CA 1.529 4.838 0 O-C-N 127.107 2.754 . . . . 0.0 108.909 174.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 41.5 t -54.43 -36.46 34.5 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 CA-C-N 118.35 1.075 . . . . 0.0 111.799 -165.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.37 -47.8 80.6 Favored 'General case' 0 N--CA 1.517 2.876 0 O-C-N 117.922 -2.986 . . . . 0.0 106.472 175.581 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -76.38 -17.88 59.15 Favored 'General case' 0 N--CA 1.507 2.385 0 CA-C-O 117.044 -1.455 . . . . 0.0 114.076 -177.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.42 -33.61 65.04 Favored 'General case' 0 N--CA 1.425 -1.691 0 C-N-CA 125.786 1.634 . . . . 0.0 113.954 167.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 36.8 m95 -95.53 -10.47 29.57 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.349 -1.469 . . . . 0.0 112.516 176.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.48 -31.27 45.11 Favored 'General case' 0 C--O 1.267 2.018 0 CA-C-O 112.579 -3.581 . . . . 0.0 115.079 -177.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -50.89 -16.68 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.374 1.668 0 CA-C-N 125.541 3.791 . . . . 0.0 112.999 178.363 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.414 HD12 HD11 ' A' ' 324' ' ' LEU . 33.3 mt -80.4 -10.87 59.75 Favored 'General case' 0 C--O 1.198 -1.621 0 O-C-N 119.435 -2.041 . . . . 0.0 112.718 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -100.34 7.77 44.11 Favored 'General case' 0 C--O 1.275 2.412 0 CA-C-O 113.799 -3.0 . . . . 0.0 117.0 177.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -57.15 151.84 14.71 Favored 'General case' 0 C--O 1.287 3.056 0 CA-C-N 122.307 2.321 . . . . 0.0 112.996 172.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.9 p -68.47 -9.54 49.51 Favored 'General case' 1 N--CA 1.564 5.258 0 N-CA-C 117.847 2.536 . . . . 0.0 117.847 -164.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.6 p-10 -86.33 -20.97 27.55 Favored 'General case' 0 CA--C 1.573 1.842 0 CA-C-O 115.799 -2.048 . . . . 0.0 108.864 171.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.9 t -79.44 131.12 66.17 Favored Pre-proline 0 CA--C 1.489 -1.368 0 CA-C-N 123.024 2.647 . . . . 0.0 107.608 -160.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_exo -56.6 173.78 0.46 Allowed 'Trans proline' 0 CA--C 1.583 2.934 0 CA-C-N 125.862 3.129 . . . . 0.0 115.736 170.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -71.55 -9.57 58.42 Favored 'General case' 0 CA--C 1.592 2.592 0 C-N-CA 125.828 1.651 . . . . 0.0 110.556 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.449 ' N ' HD23 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -158.98 146.43 17.54 Favored 'General case' 0 C--N 1.273 -2.724 0 O-C-N 120.793 -1.192 . . . . 0.0 108.471 -177.675 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.1 m -130.66 151.5 36.02 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.191 0 C-N-CA 129.655 3.182 . . . . 0.0 111.648 -177.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 69.1 t-105 -98.37 124.23 42.91 Favored 'General case' 0 C--O 1.208 -1.09 0 C-N-CA 124.796 1.238 . . . . 0.0 108.562 158.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.7 t -100.53 131.74 46.28 Favored 'General case' 0 CA--C 1.561 1.368 0 C-N-CA 131.391 3.877 . . . . 0.0 105.796 167.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 -85.8 -9.33 57.24 Favored 'General case' 0 N--CA 1.51 2.539 0 C-N-CA 126.339 1.855 . . . . 0.0 108.625 175.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 87.0 m -71.1 159.89 33.88 Favored 'General case' 0 C--O 1.276 2.448 0 N-CA-C 115.056 1.502 . . . . 0.0 115.056 176.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 62.14 23.03 13.55 Favored 'General case' 0 CA--C 1.579 2.076 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -175.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 80.14 0.92 87.25 Favored Glycine 1 CA--C 1.58 4.14 0 N-CA-C 118.57 2.188 . . . . 0.0 118.57 -170.394 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.13 125.46 5.57 Favored Glycine 0 N--CA 1.514 3.896 0 CA-C-O 116.611 -2.216 . . . . 0.0 113.244 -175.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -166.15 145.4 5.98 Favored 'General case' 0 C--N 1.263 -3.178 0 N-CA-C 121.155 3.761 . . . . 0.0 121.155 167.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 69.4 m95 -78.87 132.71 36.89 Favored 'General case' 0 C--O 1.21 -1.026 0 O-C-N 119.187 -2.196 . . . . 0.0 109.057 177.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.3 mt -110.97 141.38 26.49 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.948 0 C-N-CA 126.587 1.955 . . . . 0.0 112.781 166.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.416 ' HA ' ' HA ' ' A' ' 53' ' ' LEU . . . -91.5 136.44 33.12 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 125.39 2.519 . . . . 0.0 107.539 161.101 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.0 p -89.33 -26.79 20.92 Favored 'General case' 0 C--N 1.372 1.578 0 O-C-N 117.05 -3.532 . . . . 0.0 112.782 172.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 -105.03 130.93 53.12 Favored 'General case' 0 CA--C 1.48 -1.731 0 CA-C-O 122.065 0.936 . . . . 0.0 111.892 -164.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.519 ' H ' ' HB2' ' A' ' 328' ' ' ASP . . . -49.18 -42.1 31.51 Favored Glycine 0 CA--C 1.48 -2.096 0 C-N-CA 125.862 1.696 . . . . 0.0 110.156 169.137 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -62.26 -49.13 76.91 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-O 116.297 -1.811 . . . . 0.0 110.104 -175.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 37.8 tp -64.4 -42.75 95.91 Favored 'General case' 0 CA--C 1.556 1.203 0 C-N-CA 114.635 -2.826 . . . . 0.0 112.501 176.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 47.6 mt -50.17 -53.7 10.68 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.3 0 O-C-N 125.514 1.759 . . . . 0.0 109.645 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 43.8 ttt-85 -61.72 -18.6 60.33 Favored 'General case' 0 CA--C 1.562 1.415 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 174.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -89.67 -40.04 12.81 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 119.503 -1.998 . . . . 0.0 116.367 170.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.28 -43.25 53.29 Favored 'General case' 0 C--O 1.203 -1.353 0 CA-C-O 122.864 1.316 . . . . 0.0 114.325 161.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -66.37 -23.38 66.33 Favored 'General case' 0 C--N 1.379 1.856 0 O-C-N 119.405 -2.059 . . . . 0.0 114.933 -177.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -67.1 -74.13 0.12 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 116.755 -3.715 . . . . 0.0 112.982 -175.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -86.92 114.8 23.86 Favored 'General case' 0 CA--C 1.573 1.841 0 C-N-CA 124.641 1.177 . . . . 0.0 113.515 -176.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -63.39 -28.37 69.94 Favored 'General case' 0 N--CA 1.52 3.046 0 O-C-N 128.368 3.543 . . . . 0.0 108.233 176.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 58.3 mtp180 -70.46 -20.77 62.86 Favored 'General case' 0 C--N 1.351 0.662 0 O-C-N 117.737 -3.102 . . . . 0.0 115.233 -179.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . 0.256 13.5 t-80 -96.55 -28.4 14.4 Favored 'General case' 0 CA--C 1.569 1.674 0 CA-C-O 123.993 1.854 . . . . 0.0 115.661 176.112 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -148.71 135.63 19.93 Favored 'General case' 0 N--CA 1.519 2.992 0 O-C-N 117.705 -3.122 . . . . 0.0 113.809 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 30.5 t -119.69 138.26 53.39 Favored 'General case' 0 N--CA 1.505 2.276 0 O-C-N 124.931 1.394 . . . . 0.0 111.457 -172.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 71.2 m -68.24 2.29 2.32 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 130.703 3.601 . . . . 0.0 115.193 164.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -61.32 -24.53 66.51 Favored 'General case' 0 C--O 1.267 1.984 0 CA-C-N 120.968 1.713 . . . . 0.0 113.582 -155.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.91 109.55 11.88 Favored Pre-proline 0 N--CA 1.509 2.481 0 O-C-N 121.227 -0.921 . . . . 0.0 108.624 155.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.403 ' HD2' ' CZ ' ' A' ' 96' ' ' TYR . 19.4 Cg_endo -91.2 4.12 4.24 Favored 'Trans proline' 0 C--O 1.244 0.805 0 CA-C-N 121.845 1.695 . . . . 0.0 108.335 -169.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 13.9 m-30 -110.67 101.48 10.12 Favored 'General case' 0 C--O 1.254 1.292 0 N-CA-C 107.421 -1.325 . . . . 0.0 107.421 -170.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . 0.336 2.8 tt -76.79 -35.64 1.49 Allowed Pre-proline 0 C--O 1.265 1.893 0 N-CA-C 119.748 3.24 . . . . 0.0 119.748 -166.254 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -68.53 145.57 64.85 Favored 'Trans proline' 0 C--N 1.366 1.466 0 C-N-CA 116.013 -2.191 . . . . 0.0 110.313 -177.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -47.68 -47.16 29.76 Favored 'General case' 0 C--O 1.193 -1.89 0 C-N-CA 125.774 1.629 . . . . 0.0 112.381 -165.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -53.47 -40.81 65.58 Favored 'General case' 0 C--O 1.274 2.386 0 C-N-CA 126.72 2.008 . . . . 0.0 109.366 -177.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . 0.331 . . -81.77 -41.99 20.39 Favored 'General case' 0 CA--C 1.478 -1.802 0 O-C-N 124.75 1.281 . . . . 0.0 108.556 178.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -56.76 -28.28 56.85 Favored Glycine 0 CA--C 1.559 2.823 0 N-CA-C 117.289 1.676 . . . . 0.0 117.289 177.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -94.73 13.89 23.0 Favored 'General case' 0 C--O 1.259 1.566 0 N-CA-C 115.793 1.775 . . . . 0.0 115.793 178.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -156.51 -11.36 0.1 Allowed 'General case' 0 CA--C 1.478 -1.819 0 N-CA-C 118.479 2.77 . . . . 0.0 118.479 -173.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.403 ' CZ ' ' HD2' ' A' ' 86' ' ' PRO . 4.3 t80 -75.61 131.43 39.97 Favored 'General case' 0 CA--C 1.498 -1.04 0 N-CA-C 104.322 -2.473 . . . . 0.0 104.322 174.144 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -171.06 111.38 0.35 Allowed 'General case' 0 N--CA 1.529 3.5 0 N-CA-C 100.555 -3.869 . . . . 0.0 100.555 169.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -150.63 144.05 25.0 Favored 'General case' 0 C--N 1.364 1.215 0 O-C-N 116.718 -3.739 . . . . 0.0 114.944 -169.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.2 mt -93.97 143.56 26.66 Favored Pre-proline 0 N--CA 1.507 2.411 0 N-CA-C 104.171 -2.529 . . . . 0.0 104.171 -170.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -80.85 -23.35 14.26 Favored 'Cis proline' 0 C--N 1.366 1.456 0 CA-C-O 124.062 1.609 . . . . 0.0 115.644 -2.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 52.1 m -32.94 -63.38 0.22 Allowed 'General case' 0 C--O 1.199 -1.563 0 N-CA-C 117.231 2.308 . . . . 0.0 117.231 178.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.5 m -81.35 30.65 0.34 Allowed 'General case' 0 N--CA 1.537 3.901 0 N-CA-C 118.056 2.613 . . . . 0.0 118.056 175.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 76.1 mmm -120.94 144.99 48.17 Favored 'General case' 0 C--O 1.194 -1.848 0 CA-C-O 124.026 1.869 . . . . 0.0 107.843 175.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -77.05 146.34 75.12 Favored Pre-proline 0 C--N 1.36 1.054 0 O-C-N 118.516 -2.615 . . . . 0.0 107.717 -171.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . 0.292 26.7 Cg_endo -73.89 159.99 44.08 Favored 'Trans proline' 0 C--N 1.382 2.321 0 CA-C-O 113.337 -2.86 . . . . 0.0 115.789 163.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . 0.256 91.6 Cg_endo -79.09 -23.38 14.28 Favored 'Cis proline' 0 N--CA 1.432 -2.096 0 C-N-CA 132.416 2.257 . . . . 0.0 114.853 5.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -58.54 -30.83 67.41 Favored 'General case' 0 CA--C 1.584 2.282 0 O-C-N 126.383 2.302 . . . . 0.0 113.395 -178.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -45.96 -38.57 7.81 Favored 'General case' 0 CA--C 1.57 1.731 0 CA-C-O 123.46 1.6 . . . . 0.0 112.967 178.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 26.0 ttp-105 -61.92 -25.48 67.6 Favored 'General case' 0 N--CA 1.427 -1.597 0 N-CA-C 116.838 2.162 . . . . 0.0 116.838 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -64.41 -57.58 8.88 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 126.35 2.281 . . . . 0.0 110.76 165.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -52.66 -39.6 62.02 Favored 'General case' 0 CA--C 1.555 1.15 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 178.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 61.3 mtp85 -55.01 -43.33 73.56 Favored 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 129.639 3.176 . . . . 0.0 113.385 172.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -73.5 -39.06 65.12 Favored 'General case' 0 N--CA 1.494 1.769 0 CA-C-O 122.964 1.364 . . . . 0.0 112.283 176.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 14.5 tp -59.63 -57.67 11.93 Favored 'General case' 0 C--O 1.18 -2.573 0 O-C-N 117.227 -3.42 . . . . 0.0 109.724 170.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -40.62 -52.56 2.87 Favored 'General case' 0 C--N 1.316 -0.879 0 O-C-N 119.283 -2.136 . . . . 0.0 115.582 168.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -46.68 -42.91 17.21 Favored 'General case' 0 CA--C 1.587 2.399 0 C-N-CA 128.646 2.778 . . . . 0.0 111.853 171.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -84.4 -34.33 23.57 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 127.012 2.125 . . . . 0.0 114.147 177.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 87.1 t -52.35 -51.28 33.7 Favored 'Isoleucine or valine' 1 N--CA 1.551 4.576 0 N-CA-C 103.727 -2.694 . . . . 0.0 103.727 166.164 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . 0.303 14.6 m -79.28 24.17 0.08 OUTLIER 'Isoleucine or valine' 1 N--CA 1.377 -4.081 0 N-CA-C 118.222 2.675 . . . . 0.0 118.222 171.106 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -71.28 133.55 22.09 Favored Glycine 0 CA--C 1.57 3.484 0 O-C-N 117.221 -3.425 . . . . 0.0 116.096 176.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 59.5 mtm -70.83 -24.17 0.72 Allowed Pre-proline 0 C--N 1.303 -1.422 0 N-CA-C 120.49 3.515 . . . . 0.0 120.49 178.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -48.32 -38.45 34.05 Favored 'Trans proline' 0 C--O 1.191 -1.855 0 CA-C-N 125.399 2.964 . . . . 0.0 116.615 174.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 9.9 p -68.01 -23.94 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 N-CA-C 116.309 1.966 . . . . 0.0 116.309 177.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 15.5 m -99.68 -12.28 8.45 Favored 'Isoleucine or valine' 0 C--N 1.349 0.559 0 N-CA-C 115.102 1.519 . . . . 0.0 115.102 175.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -83.39 -27.93 29.27 Favored 'General case' 0 C--N 1.368 1.375 0 C-N-CA 129.364 3.066 . . . . 0.0 111.925 -168.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 41.9 tptt -52.65 -32.55 42.62 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-N 114.215 -1.357 . . . . 0.0 114.02 157.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . 0.321 6.5 mt -95.22 -0.7 52.85 Favored 'General case' 0 C--O 1.182 -2.494 0 C-N-CA 130.071 3.349 . . . . 0.0 115.199 -171.41 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -48.52 -45.05 36.77 Favored 'General case' 0 CA--C 1.554 1.116 0 CA-C-N 121.716 2.053 . . . . 0.0 114.896 -171.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 30.9 t-20 -72.02 -39.23 69.32 Favored 'General case' 0 C--O 1.257 1.492 0 C-N-CA 125.434 1.494 . . . . 0.0 108.267 176.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 53.3 mtp180 -58.98 -35.64 73.54 Favored 'General case' 0 CA--C 1.562 1.409 0 CA-C-O 116.0 -1.952 . . . . 0.0 113.823 170.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 69.5 mt -80.73 -32.92 13.15 Favored 'Isoleucine or valine' 0 C--O 1.259 1.554 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 -178.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -71.08 -33.36 70.14 Favored 'General case' 0 C--N 1.287 -2.111 0 O-C-N 125.133 1.52 . . . . 0.0 110.867 173.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -60.82 -47.22 87.34 Favored 'General case' 0 C--N 1.294 -1.807 0 C-N-CA 129.915 3.286 . . . . 0.0 112.081 166.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 8.2 tp -49.75 -47.21 50.95 Favored 'General case' 0 CA--C 1.569 1.696 0 O-C-N 117.552 -3.217 . . . . 0.0 113.993 174.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -58.47 -56.44 22.1 Favored 'General case' 0 C--O 1.251 1.14 0 CA-C-O 124.061 1.886 . . . . 0.0 112.982 168.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 38.2 t -52.95 -48.9 67.02 Favored 'General case' 0 C--N 1.364 1.232 0 O-C-N 117.234 -3.416 . . . . 0.0 114.297 174.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 6.9 m -45.54 -44.72 12.96 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 117.698 2.481 . . . . 0.0 117.698 167.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 28.4 mt -81.33 -40.37 23.68 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 115.781 1.771 . . . . 0.0 115.781 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 10.5 mt -68.22 -39.43 81.13 Favored 'Isoleucine or valine' 0 C--N 1.37 1.49 0 CA-C-O 122.836 1.303 . . . . 0.0 112.629 169.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -72.65 -16.4 61.71 Favored 'General case' 0 CA--C 1.56 1.35 0 O-C-N 116.354 -3.966 . . . . 0.0 113.531 -176.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 7.4 t -72.07 -9.01 57.81 Favored 'General case' 0 N--CA 1.402 -2.829 1 O-C-N 113.834 -5.541 . . . . 0.0 119.073 157.373 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 52.2 mt -116.32 -42.23 3.05 Favored 'General case' 0 C--O 1.241 0.636 0 O-C-N 120.019 -1.676 . . . . 0.0 108.402 -176.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . 0.26 34.6 ttp85 -44.88 -53.68 15.16 Favored Pre-proline 0 C--O 1.261 1.658 0 N-CA-C 118.873 2.916 . . . . 0.0 118.873 -164.339 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -73.74 -9.57 22.64 Favored 'Trans proline' 1 C--N 1.417 4.138 0 N-CA-C 115.308 1.234 . . . . 0.0 115.308 175.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -79.05 -13.52 59.72 Favored 'General case' 0 CA--C 1.567 1.623 0 CA-C-O 116.322 -1.799 . . . . 0.0 115.01 -174.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 71.26 10.66 70.01 Favored Glycine 0 CA--C 1.562 3.0 0 O-C-N 126.263 2.227 . . . . 0.0 115.354 178.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -162.08 165.53 27.05 Favored 'General case' 0 C--N 1.283 -2.293 0 C-N-CA 123.781 0.833 . . . . 0.0 112.564 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 1.4 p -150.35 -171.1 3.83 Favored 'General case' 0 CA--C 1.56 1.339 0 CA-C-O 125.114 2.388 . . . . 0.0 112.647 153.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -130.1 90.76 3.01 Favored 'General case' 0 CA--C 1.569 1.686 0 O-C-N 117.256 -3.402 . . . . 0.0 106.224 163.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -57.85 -29.45 64.99 Favored 'General case' 0 C--N 1.365 1.255 0 N-CA-C 115.585 1.698 . . . . 0.0 115.585 -158.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 15.2 p -51.03 -61.1 2.44 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.873 -1.142 . . . . 0.0 112.231 167.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -81.42 -33.17 32.35 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 -174.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -87.8 -12.85 43.82 Favored 'General case' 0 CA--C 1.563 1.451 0 C-N-CA 130.524 3.529 . . . . 0.0 111.644 -170.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -142.4 -60.05 0.45 Allowed 'General case' 0 CA--C 1.561 1.394 0 CA-C-N 120.605 1.548 . . . . 0.0 113.406 173.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.7 -48.42 81.2 Favored 'General case' 0 CA--C 1.601 2.922 0 CA-C-O 114.231 -2.795 . . . . 0.0 115.655 -170.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -56.56 -69.1 0.47 Allowed Pre-proline 0 C--O 1.283 2.842 0 CA-C-N 120.464 1.484 . . . . 0.0 110.294 165.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . 0.255 11.9 Cg_endo -43.27 -61.6 0.54 Allowed 'Trans proline' 0 C--N 1.385 2.462 0 C-N-CA 124.458 3.439 . . . . 0.0 118.068 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 158' ' ' PHE . . . . . 0.562 ' CE1' HD11 ' A' ' 162' ' ' ILE . 14.3 t80 -58.43 -70.42 0.39 Allowed Pre-proline 0 N--CA 1.427 -1.605 1 O-C-N 116.223 -4.048 . . . . 0.0 115.82 -165.412 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 159' ' ' PRO . . . . . 0.4 ' CD ' ' HB3' ' A' ' 158' ' ' PHE . 89.8 Cg_endo -60.32 -32.69 94.45 Favored 'Trans proline' 0 CA--C 1.549 1.23 0 C-N-CA 120.667 0.911 . . . . 0.0 113.694 177.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 69.9 mt -66.67 -49.69 72.55 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.35 0 CA-C-N 122.041 2.2 . . . . 0.0 111.796 172.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -61.02 -29.39 69.68 Favored 'General case' 0 N--CA 1.484 1.249 0 O-C-N 121.027 -1.045 . . . . 0.0 113.288 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' ILE . . . . . 0.562 HD11 ' CE1' ' A' ' 158' ' ' PHE 0.282 19.9 mt -66.39 -57.63 9.64 Favored 'Isoleucine or valine' 0 C--O 1.163 -3.499 0 CA-C-O 122.097 0.951 . . . . 0.0 110.778 167.013 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -52.8 -29.3 26.76 Favored 'General case' 1 CA--C 1.631 4.06 0 O-C-N 119.69 -1.881 . . . . 0.0 114.804 177.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -71.84 -37.89 70.21 Favored 'General case' 0 C--N 1.273 -2.757 0 CA-C-O 115.08 -2.39 . . . . 0.0 109.35 173.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 87.5 mt -58.56 -59.59 5.14 Favored 'General case' 0 N--CA 1.518 2.959 0 CA-C-N 124.177 3.171 . . . . 0.0 108.942 163.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 14.0 tp -45.41 -32.78 2.27 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-O 115.932 -1.985 . . . . 0.0 115.449 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . 0.296 . . -110.06 -2.62 16.9 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 120.628 1.558 . . . . 0.0 110.566 -170.441 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 71.82 16.95 76.49 Favored Glycine 0 C--O 1.201 -1.945 0 O-C-N 124.455 1.097 . . . . 0.0 111.415 -177.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 7.3 mp -83.15 139.41 42.3 Favored Pre-proline 0 CA--C 1.576 1.961 0 CA-C-O 116.354 -1.784 . . . . 0.0 114.509 -175.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -77.71 131.6 11.43 Favored 'Trans proline' 0 C--O 1.264 1.785 0 CA-C-N 120.624 1.259 . . . . 0.0 114.335 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -45.62 -29.43 1.22 Allowed 'General case' 0 N--CA 1.531 3.6 0 C-N-CA 127.534 2.334 . . . . 0.0 115.798 174.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -64.79 -25.71 68.03 Favored 'General case' 0 CA--C 1.594 2.669 0 O-C-N 119.055 -2.278 . . . . 0.0 111.376 175.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -66.04 -8.89 25.91 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 117.649 -3.157 . . . . 0.0 116.835 168.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 65.7 mt -62.3 -35.65 22.07 Favored Pre-proline 0 C--O 1.265 1.915 0 CA-C-O 114.816 -2.516 . . . . 0.0 116.229 -174.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -65.61 -29.87 51.79 Favored 'Trans proline' 0 C--O 1.257 1.434 0 O-C-N 124.322 1.696 . . . . 0.0 113.798 176.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 176' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -60.38 -58.94 6.35 Favored 'General case' 0 C--N 1.271 -2.807 0 O-C-N 117.845 -3.034 . . . . 0.0 111.769 174.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 177' ' ' LEU . . . . . 0.407 HD21 ' CE1' ' A' ' 203' ' ' TYR . 76.4 mt -79.92 -37.64 34.16 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 119.479 -2.013 . . . . 0.0 111.878 -161.549 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.25 -35.08 79.14 Favored 'General case' 0 C--N 1.407 3.074 0 O-C-N 119.164 -2.21 . . . . 0.0 115.926 168.164 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 179' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -56.0 -48.46 75.85 Favored 'General case' 0 N--CA 1.522 3.167 0 O-C-N 118.928 -2.357 . . . . 0.0 112.57 167.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 95.8 mt -62.95 -51.18 67.89 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 129.556 3.142 . . . . 0.0 112.806 174.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 18.9 p -71.26 -20.6 62.21 Favored 'General case' 0 CA--C 1.58 2.13 0 CA-C-N 120.878 1.672 . . . . 0.0 112.759 174.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -81.81 -49.17 10.69 Favored 'General case' 0 CA--C 1.615 3.444 0 CA-C-O 116.696 -1.621 . . . . 0.0 109.677 169.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -56.63 -40.78 76.01 Favored 'General case' 0 C--N 1.357 0.911 0 CA-C-N 123.191 2.723 . . . . 0.0 112.523 176.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 184' ' ' MET . . . . . . . . . . . . . 40.2 mtt -61.94 -40.41 95.41 Favored 'General case' 0 N--CA 1.533 3.719 0 O-C-N 119.13 -2.231 . . . . 0.0 110.962 176.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 185' ' ' THR . . . . . . . . . . . . . 22.9 p -86.74 -38.98 16.42 Favored 'General case' 0 CA--C 1.553 1.059 0 CA-C-N 122.859 2.572 . . . . 0.0 108.056 -172.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 186' ' ' ARG . . . . . . . . . . . . . 35.0 mtm-85 -144.2 82.74 10.57 Favored Pre-proline 0 CA--C 1.598 2.805 0 CA-C-N 119.296 0.953 . . . . 0.0 109.266 -167.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 187' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -76.95 179.53 6.42 Favored 'Trans proline' 0 CA--C 1.551 1.358 1 C-N-CA 132.471 8.78 . . . . 0.0 110.125 -160.587 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 188' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -177.49 -37.65 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.316 0 O-C-N 119.855 -1.778 . . . . 0.0 112.662 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -99.85 -169.63 29.83 Favored Glycine 0 C--O 1.214 -1.095 0 C-N-CA 130.514 3.911 . . . . 0.0 110.877 -166.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 17.8 p -91.06 -10.45 42.07 Favored 'General case' 0 CA--C 1.557 1.227 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 -178.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 43.0 ttm -61.52 110.23 1.41 Allowed 'General case' 0 C--O 1.276 2.447 0 O-C-N 120.416 -1.427 . . . . 0.0 107.588 164.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 44.8 p -70.39 165.72 21.85 Favored 'General case' 0 N--CA 1.504 2.248 0 C-N-CA 126.399 1.88 . . . . 0.0 113.335 160.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 193' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -63.64 -47.18 82.35 Favored 'General case' 0 N--CA 1.501 2.121 0 C-N-CA 127.762 2.425 . . . . 0.0 106.551 -178.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -48.34 -45.15 35.01 Favored 'General case' 0 CA--C 1.581 2.135 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.468 172.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 195' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -66.89 -44.18 81.54 Favored 'General case' 0 C--O 1.254 1.313 0 C-N-CA 125.854 1.662 . . . . 0.0 109.657 -178.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.02 -47.94 76.87 Favored 'General case' 0 C--O 1.189 -2.125 0 CA-C-O 123.942 1.829 . . . . 0.0 112.896 175.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 197' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -65.73 -35.15 79.92 Favored 'General case' 0 CA--C 1.484 -1.596 0 C-N-CA 126.204 1.802 . . . . 0.0 113.772 179.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -70.91 -44.84 65.4 Favored 'General case' 0 N--CA 1.499 2.024 0 CA-C-O 123.617 1.675 . . . . 0.0 111.475 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . 0.267 . . -69.98 -37.46 75.75 Favored 'General case' 0 CA--C 1.601 2.904 0 O-C-N 119.11 -2.243 . . . . 0.0 115.438 173.245 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 13.7 tp -67.32 -41.53 85.13 Favored 'General case' 0 CA--C 1.587 2.394 0 CA-C-N 119.077 0.853 . . . . 0.0 109.516 169.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 201' ' ' TYR . . . . . 0.46 ' CD2' ' HE3' ' A' ' 239' ' ' LYS . 7.6 m-30 -68.37 -29.49 68.21 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 118.049 -1.46 . . . . 0.0 111.433 -176.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -76.96 -32.39 57.25 Favored 'General case' 0 CA--C 1.596 2.716 0 O-C-N 123.866 0.729 . . . . 0.0 111.225 176.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 203' ' ' TYR . . . . . 0.407 ' CE1' HD21 ' A' ' 177' ' ' LEU . 34.2 t80 -66.53 -36.23 82.18 Favored 'General case' 0 C--N 1.287 -2.12 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 170.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 77.7 mt -72.37 -42.12 65.61 Favored 'General case' 0 CA--C 1.577 2.009 0 CA-C-O 123.003 1.382 . . . . 0.0 112.528 -179.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 205' ' ' ILE . . . . . . . . . . . . . 2.6 mm -58.76 -39.95 78.46 Favored Pre-proline 0 N--CA 1.501 2.123 0 N-CA-C 119.511 3.152 . . . . 0.0 119.511 -168.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 206' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -63.23 -48.57 5.99 Favored 'Trans proline' 0 C--N 1.322 -0.826 1 C-N-CA 125.848 4.365 . . . . 0.0 112.209 171.077 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 207' ' ' ILE . . . . . 0.413 HD13 HG21 ' A' ' 207' ' ' ILE . 3.2 mt -57.37 -45.3 85.33 Favored 'Isoleucine or valine' 0 C--N 1.373 1.624 0 CA-C-O 116.895 -1.526 . . . . 0.0 111.546 172.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 208' ' ' ILE . . . . . 0.404 HG21 HD13 ' A' ' 208' ' ' ILE 0.264 44.0 mt -64.15 -53.0 48.94 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 CA-C-N 121.631 2.014 . . . . 0.0 111.785 -178.929 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -71.47 -16.5 62.36 Favored 'General case' 0 C--N 1.296 -1.72 0 CA-C-O 118.329 -0.843 . . . . 0.0 111.642 -176.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 210' ' ' GLN . . . . . 0.4 ' OE1' ' HE3' ' A' ' 214' ' ' LYS . 4.2 tp-100 -73.45 -55.26 6.58 Favored 'General case' 0 N--CA 1.432 -1.329 0 CA-C-O 115.711 -2.09 . . . . 0.0 107.928 170.384 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -53.89 -36.4 62.64 Favored 'General case' 0 N--CA 1.502 2.164 0 N-CA-C 105.074 -2.195 . . . . 0.0 105.074 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 212' ' ' ARG . . . . . . . . . . . . . 12.7 mtp85 -55.49 -34.98 65.07 Favored 'General case' 0 CA--C 1.478 -1.804 0 CA-C-N 121.012 1.733 . . . . 0.0 114.92 176.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 213' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -88.02 -28.5 21.36 Favored 'General case' 0 C--O 1.159 -3.709 0 CA-C-N 124.159 3.163 . . . . 0.0 109.746 172.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 214' ' ' LYS . . . . . 0.4 ' HE3' ' OE1' ' A' ' 210' ' ' GLN . 57.8 mttt -130.31 53.45 11.76 Favored Pre-proline 0 C--O 1.272 2.26 0 O-C-N 118.402 -2.686 . . . . 0.0 110.623 -159.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -62.93 141.61 84.94 Favored 'Trans proline' 1 CA--C 1.636 5.59 0 N-CA-C 107.041 -1.946 . . . . 0.0 107.041 -170.098 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -133.93 -168.05 11.71 Favored Glycine 0 N--CA 1.414 -2.822 1 CA-C-O 112.594 -4.448 . . . . 0.0 116.234 163.087 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 217' ' ' THR . . . . . . . . . . . . . 69.2 p -77.9 99.07 5.85 Favored 'General case' 0 C--O 1.271 2.19 1 CA-C-N 128.654 6.227 . . . . 0.0 111.7 170.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 218' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -177.05 147.48 0.57 Allowed 'General case' 0 C--O 1.264 1.853 0 O-C-N 128.025 3.328 . . . . 0.0 108.561 173.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 219' ' ' ALA . . . . . . . . . . . . . . . -49.33 -33.57 13.62 Favored 'General case' 0 CA--C 1.598 2.81 0 O-C-N 117.146 -3.471 . . . . 0.0 115.622 -177.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 220' ' ' ILE . . . . . 0.411 ' HA ' HG12 ' A' ' 223' ' ' VAL . 31.0 mm -78.05 -35.7 20.66 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.131 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 -177.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 221' ' ' SER . . . . . . . . . . . . . 73.6 m -64.98 -32.86 74.8 Favored 'General case' 0 N--CA 1.407 -2.577 0 CA-C-O 117.603 -1.189 . . . . 0.0 113.568 167.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 222' ' ' ILE . . . . . . . . . . . . . 18.0 mm -65.75 -46.96 87.53 Favored 'Isoleucine or valine' 0 C--O 1.251 1.175 0 N-CA-C 116.18 1.919 . . . . 0.0 116.18 168.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 223' ' ' VAL . . . . . 0.452 ' O ' HD13 ' A' ' 233' ' ' ILE . 0.3 OUTLIER -72.28 -8.79 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.519 2.987 0 C-N-CA 126.348 1.859 . . . . 0.0 112.793 -179.538 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 224' ' ' ALA . . . . . . . . . . . . . . . -98.06 -11.82 22.52 Favored 'General case' 0 C--N 1.376 1.758 0 O-C-N 118.467 -2.646 . . . . 0.0 110.347 175.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 225' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -137.75 -9.24 1.62 Allowed 'General case' 0 C--O 1.262 1.73 0 N-CA-C 120.315 3.45 . . . . 0.0 120.315 -172.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . -60.59 153.14 37.26 Favored Glycine 1 CA--C 1.425 -5.59 0 CA-C-O 126.121 3.067 . . . . 0.0 113.977 -177.224 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 227' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -97.25 144.63 26.86 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 115.503 -2.479 . . . . 0.0 113.006 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 228' ' ' VAL . . . . . . . . . . . . . 12.1 m -147.83 118.78 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.375 1.682 0 N-CA-C 105.608 -1.997 . . . . 0.0 105.608 -173.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 48.4 t30 50.86 53.54 12.82 Favored 'General case' 0 C--N 1.398 2.702 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 -178.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 230' ' ' GLY . . . . . . . . . . . . . . . 76.77 -8.37 29.1 Favored Glycine 1 CA--C 1.578 4.029 0 CA-C-O 116.175 -2.459 . . . . 0.0 112.91 173.217 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 55.0 ptt85 -121.02 165.61 18.36 Favored Pre-proline 1 N--CA 1.54 4.075 0 CA-C-N 120.453 2.127 . . . . 0.0 112.411 174.161 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 232' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -74.4 161.03 40.98 Favored 'Trans proline' 0 N--CA 1.514 2.703 0 C-N-CA 122.725 2.283 . . . . 0.0 107.539 171.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 233' ' ' ILE . . . . . 0.452 HD13 ' O ' ' A' ' 223' ' ' VAL . 20.1 tt -62.44 146.71 12.25 Favored 'Isoleucine or valine' 0 C--N 1.267 -2.998 0 C-N-CA 127.518 2.327 . . . . 0.0 112.554 160.033 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 234' ' ' THR . . . . . . . . . . . . . 62.1 p -105.69 160.62 15.07 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 119.303 3.075 . . . . 0.0 119.303 174.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 50.1 m -61.69 -34.83 76.45 Favored 'General case' 0 C--O 1.276 2.479 0 O-C-N 120.533 -1.354 . . . . 0.0 113.699 -171.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -71.41 -20.64 62.1 Favored 'General case' 0 C--O 1.198 -1.632 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 174.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -82.78 -47.23 12.16 Favored 'General case' 0 CA--C 1.57 1.742 0 O-C-N 119.472 -2.017 . . . . 0.0 109.429 170.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 238' ' ' ALA . . . . . . . . . . . . . . . -46.93 -50.95 18.05 Favored 'General case' 0 CA--C 1.59 2.508 0 C-N-CA 130.544 3.538 . . . . 0.0 112.269 171.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 239' ' ' LYS . . . . . 0.46 ' HE3' ' CD2' ' A' ' 201' ' ' TYR . 31.4 pttt -69.42 -28.85 66.5 Favored 'General case' 0 N--CA 1.521 3.09 1 O-C-N 129.733 4.396 . . . . 0.0 111.167 177.376 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 53.5 mtm180 -84.57 -30.42 25.05 Favored 'General case' 0 CA--C 1.576 1.971 0 CA-C-N 121.301 1.864 . . . . 0.0 109.403 -175.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 241' ' ' MET . . . . . . . . . . . . . 34.0 ttm -71.21 -55.87 7.23 Favored 'General case' 0 C--O 1.255 1.361 0 CA-C-O 126.02 2.819 . . . . 0.0 106.399 174.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 242' ' ' CYS . . . . . . . . . . . . . 7.7 m -44.33 -42.17 6.59 Favored 'General case' 0 C--N 1.388 2.264 0 N-CA-C 118.824 2.898 . . . . 0.0 118.824 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -55.51 -57.44 18.65 Favored Glycine 0 N--CA 1.397 -3.905 0 CA-C-O 118.179 -1.345 . . . . 0.0 113.698 176.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 244' ' ' LEU . . . . . . . . . . . . . 38.4 tp -58.01 -52.85 63.8 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 174.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 19.4 mt -50.31 -38.04 39.65 Favored 'General case' 0 N--CA 1.42 -1.931 1 O-C-N 114.418 -5.176 . . . . 0.0 118.017 179.445 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 246' ' ' LEU . . . . . . . . . . . . . 45.9 mt -79.49 -36.52 38.49 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 113.66 -1.609 . . . . 0.0 108.902 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 2.7 t -61.53 -21.33 25.09 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.075 1 O-C-N 115.765 -4.334 . . . . 0.0 116.632 162.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -69.88 -82.22 0.22 Allowed Glycine 0 CA--C 1.46 -3.379 0 N-CA-C 109.189 -1.564 . . . . 0.0 109.189 161.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 249' ' ' GLY . . . . . 0.412 ' C ' HD23 ' A' ' 250' ' ' LEU . . . -57.75 -16.86 25.48 Favored Glycine 1 C--O 1.297 4.043 0 N-CA-C 119.269 2.468 . . . . 0.0 119.269 -170.396 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 250' ' ' LEU . . . . . 0.412 HD23 ' C ' ' A' ' 249' ' ' GLY . 4.1 mt -111.4 11.24 21.5 Favored 'General case' 0 N--CA 1.509 2.495 0 O-C-N 125.79 1.524 . . . . 0.0 113.029 177.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -142.39 -68.18 0.37 Allowed 'General case' 0 N--CA 1.511 2.617 0 C-N-CA 117.964 -1.494 . . . . 0.0 113.189 170.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 252' ' ' THR . . . . . . . . . . . . 0.31 69.7 p -39.28 -44.19 1.23 Allowed 'General case' 0 C--O 1.193 -1.92 0 O-C-N 116.742 -3.724 . . . . 0.0 115.183 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 253' ' ' VAL . . . . . . . . . . . . . 1.2 p -84.4 -32.8 8.26 Favored 'Isoleucine or valine' 0 N--CA 1.519 3.005 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 -173.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 53.0 t -65.51 -33.39 63.34 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.485 0 CA-C-O 123.212 1.482 . . . . 0.0 112.433 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 255' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -82.37 -36.61 26.64 Favored 'General case' 0 C--O 1.269 2.083 0 CA-C-O 117.198 -1.382 . . . . 0.0 112.003 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 256' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -62.22 -42.67 99.51 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-O 113.081 -3.342 . . . . 0.0 114.036 178.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 257' ' ' LEU . . . . . . . . . . . . . 39.8 mt -51.96 -49.7 62.68 Favored 'General case' 0 C--O 1.241 0.627 1 O-C-N 129.987 4.554 . . . . 0.0 111.607 172.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 51.0 m -68.73 -44.47 73.76 Favored 'General case' 0 N--CA 1.495 1.783 1 O-C-N 115.475 -4.516 . . . . 0.0 113.961 -170.5 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 259' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -64.43 -31.2 72.32 Favored 'General case' 0 N--CA 1.398 -3.031 0 O-C-N 124.062 0.851 . . . . 0.0 110.513 167.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 260' ' ' SER . . . . . . . . . . . . . 75.3 m -68.37 -27.47 66.27 Favored 'General case' 0 C--O 1.26 1.626 0 CA-C-O 113.903 -2.951 . . . . 0.0 117.029 176.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 261' ' ' MET . . . . . . . . . . . . . 72.3 mmm -95.25 -23.4 17.25 Favored 'General case' 0 CA--C 1.506 -0.744 1 O-C-N 130.451 4.845 . . . . 0.0 113.737 177.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 262' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -61.3 -35.68 78.02 Favored 'General case' 0 C--N 1.382 1.981 0 CA-C-O 122.372 1.082 . . . . 0.0 111.411 169.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 263' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -60.66 -59.43 5.4 Favored 'General case' 0 C--N 1.312 -1.058 0 C-N-CA 126.49 1.916 . . . . 0.0 111.166 169.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 264' ' ' LEU . . . . . . . . . . . . . 44.2 mt -65.98 -42.11 90.25 Favored 'General case' 0 N--CA 1.532 3.672 0 CA-C-O 124.969 2.319 . . . . 0.0 110.745 -171.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 265' ' ' ALA . . . . . . . . . . . . . . . -44.99 -44.17 9.71 Favored 'General case' 0 C--N 1.372 1.566 0 O-C-N 116.555 -3.84 . . . . 0.0 113.238 175.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 266' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm -86.79 -0.11 55.79 Favored 'General case' 0 C--N 1.368 1.383 0 O-C-N 125.789 1.931 . . . . 0.0 111.416 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 267' ' ' SER . . . . . . . . . . . . 0.299 43.4 m -125.89 95.7 39.18 Favored Pre-proline 0 C--O 1.267 1.985 0 O-C-N 119.42 -2.05 . . . . 0.0 108.302 -168.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -84.27 -4.1 10.24 Favored 'Trans proline' 0 N--CA 1.441 -1.587 0 CA-C-N 120.894 1.355 . . . . 0.0 113.635 -176.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 269' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -81.4 -52.5 7.21 Favored 'General case' 0 N--CA 1.439 -1.019 0 C-N-CA 125.915 1.686 . . . . 0.0 107.936 175.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 270' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -61.83 -33.33 73.97 Favored 'General case' 0 N--CA 1.423 -1.815 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 271' ' ' ARG . . . . . . . . . . . . . 73.3 mtm-85 -63.89 -30.0 71.13 Favored 'General case' 0 CA--C 1.615 3.453 0 CA-C-N 120.357 1.435 . . . . 0.0 110.304 178.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 272' ' ' GLN . . . . . . . . . . . . . 55.4 tp60 -69.79 -49.32 53.91 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 173.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -46.37 -44.26 16.86 Favored 'General case' 0 CA--C 1.481 -1.679 0 C-N-CA 127.485 2.314 . . . . 0.0 109.603 177.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 274' ' ' LEU . . . . . . . . . . . . . 18.6 mt -73.22 -18.5 61.23 Favored 'General case' 0 N--CA 1.501 2.088 0 CA-C-O 114.821 -2.514 . . . . 0.0 114.685 -178.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 275' ' ' ILE . . . . . . . . . . . . . 29.8 pt -101.78 -20.15 5.7 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.967 0 C-N-CA 127.775 2.43 . . . . 0.0 115.823 173.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 276' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -71.01 -38.42 72.65 Favored 'General case' 0 C--O 1.191 -1.982 0 C-N-CA 115.947 -2.301 . . . . 0.0 114.014 163.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 277' ' ' ARG . . . . . . . . . . . . . 58.7 mmt-85 -131.19 64.03 72.13 Favored Pre-proline 0 CA--C 1.576 1.975 0 N-CA-C 116.538 2.051 . . . . 0.0 116.538 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -44.76 -34.48 8.4 Favored 'Trans proline' 0 N--CA 1.498 1.754 0 C-N-CA 122.329 2.019 . . . . 0.0 115.323 172.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 279' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -55.82 -50.2 71.18 Favored 'General case' 0 CA--C 1.48 -1.713 0 C-N-CA 127.734 2.413 . . . . 0.0 112.821 173.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 45.3 ttm180 -63.89 -9.96 18.13 Favored 'General case' 0 C--N 1.382 1.99 0 C-N-CA 125.595 1.558 . . . . 0.0 113.795 -176.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 281' ' ' ILE . . . . . . . . . . . . . 38.2 mt -46.8 -36.84 7.75 Favored Pre-proline 1 CA--C 1.635 4.244 0 CA-C-O 114.397 -2.716 . . . . 0.0 114.552 -172.089 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 282' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -54.66 -33.54 80.04 Favored 'Trans proline' 0 C--N 1.345 0.349 0 O-C-N 125.338 2.23 . . . . 0.0 114.276 173.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 283' ' ' ALA . . . . . . . . . . . . 0.298 . . -65.04 -58.98 4.67 Favored 'General case' 0 CA--C 1.494 -1.181 0 N-CA-C 117.442 2.386 . . . . 0.0 117.442 169.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 284' ' ' ALA . . . . . . . . . . . . . . . -44.6 -52.37 8.18 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 126.01 2.068 . . . . 0.0 111.752 168.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 285' ' ' CYS . . . . . . . . . . . . . 42.6 t -54.95 -50.46 68.84 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 119.791 -1.818 . . . . 0.0 110.257 -178.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -68.48 -31.34 70.55 Favored 'General case' 0 CA--C 1.568 1.65 0 C-N-CA 123.808 0.843 . . . . 0.0 112.072 176.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 287' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -64.42 -39.66 94.27 Favored 'General case' 0 CA--C 1.58 2.117 0 O-C-N 118.922 -2.361 . . . . 0.0 109.674 167.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 288' ' ' LEU . . . . . . . . . . . . . 3.4 mt -72.1 -43.7 64.39 Favored 'General case' 0 C--N 1.315 -0.904 1 O-C-N 116.154 -4.092 . . . . 0.0 105.76 -177.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 289' ' ' LEU . . . . . . . . . . . . . 35.3 tp -49.69 -41.49 43.36 Favored 'General case' 0 C--N 1.414 3.377 0 C-N-CA 126.394 1.878 . . . . 0.0 106.4 173.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 290' ' ' ARG . . . . . 0.427 ' HB2' HG11 ' A' ' 345' ' ' VAL . 60.1 ttp85 -69.86 -58.22 4.14 Favored 'General case' 0 N--CA 1.503 2.222 0 N-CA-C 103.616 -2.735 . . . . 0.0 103.616 -177.275 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 291' ' ' ARG . . . . . . . . . . . . . 13.1 tpt85 -69.24 -20.31 63.94 Favored 'General case' 0 C--O 1.259 1.566 0 N-CA-C 115.648 1.721 . . . . 0.0 115.648 -163.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 292' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -124.22 58.77 1.18 Allowed 'General case' 0 C--O 1.183 -2.403 0 CA-C-O 126.674 3.13 . . . . 0.0 113.071 169.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.67 -2.8 9.99 Favored 'General case' 0 CA--C 1.611 3.322 0 O-C-N 116.604 -3.81 . . . . 0.0 119.085 -168.097 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . 0.303 1.9 pp 44.63 -31.01 0.0 OUTLIER 'General case' 0 CA--C 1.581 2.168 1 N-CA-C 122.469 4.248 . . . . 0.0 122.469 161.455 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 60.9 t -86.27 142.35 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 CA-C-N 121.33 1.877 . . . . 0.0 115.839 178.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 296' ' ' ALA . . . . . . . . . . . . . . . -125.35 117.84 24.62 Favored 'General case' 0 C--O 1.256 1.425 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 162.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.17 146.11 39.82 Favored 'General case' 0 CA--C 1.559 1.308 0 N-CA-C 114.828 1.418 . . . . 0.0 114.828 -176.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 298' ' ' GLY . . . . . . . . . . . . . . . -99.83 54.83 0.92 Allowed Glycine 0 C--O 1.209 -1.441 1 C-N-CA 131.948 4.594 . . . . 0.0 117.322 -158.251 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 299' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -54.9 134.79 48.56 Favored 'General case' 0 C--O 1.192 -1.945 0 O-C-N 127.706 2.651 . . . . 0.0 110.795 -161.584 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 300' ' ' ILE . . . . . . . . . . . . . 32.8 mm -84.86 134.52 26.83 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.829 0 CA-C-O 126.57 3.081 . . . . 0.0 111.374 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -82.43 130.12 35.04 Favored 'General case' 0 C--O 1.286 2.977 1 O-C-N 115.798 -4.313 . . . . 0.0 108.994 175.099 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 302' ' ' THR . . . . . . . . . . . . . 71.4 p -83.94 -28.66 27.68 Favored 'General case' 0 N--CA 1.515 2.809 0 CA-C-O 117.705 -1.141 . . . . 0.0 110.096 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 78.1 p -158.64 -59.74 0.07 Allowed 'General case' 0 C--N 1.256 -3.486 0 N-CA-C 114.932 1.456 . . . . 0.0 114.932 -155.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 304' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -168.52 167.17 11.79 Favored 'General case' 0 CA--C 1.571 1.772 0 C-N-CA 128.153 2.581 . . . . 0.0 112.361 -176.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 305' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -168.74 127.43 1.09 Allowed 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 164.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -104.49 128.31 52.39 Favored 'General case' 0 CA--C 1.568 1.644 0 CA-C-O 116.17 -1.871 . . . . 0.0 112.183 173.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 307' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -149.98 142.56 24.49 Favored 'General case' 0 N--CA 1.435 -1.181 0 O-C-N 126.993 2.683 . . . . 0.0 114.53 167.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 308' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 33.0 41.72 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.876 0 CA-C-O 127.577 3.561 . . . . 0.0 120.229 -177.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 309' ' ' GLY . . . . . . . . . . . . . . . 83.64 -6.92 71.34 Favored Glycine 0 CA--C 1.566 3.251 1 C-N-CA 131.339 4.304 . . . . 0.0 117.732 -177.289 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 310' ' ' VAL . . . . . . . . . . . . . 33.3 t -94.53 159.86 2.78 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.275 0 O-C-N 125.393 1.29 . . . . 0.0 110.287 178.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 311' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -140.55 138.65 34.66 Favored 'General case' 0 N--CA 1.432 -1.329 0 CA-C-N 120.28 1.4 . . . . 0.0 111.38 -179.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 312' ' ' LEU . . . . . . . . . . . . 0.256 63.2 mt -96.57 163.7 12.92 Favored 'General case' 0 CA--C 1.552 1.057 0 CA-C-N 118.5 0.591 . . . . 0.0 112.224 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -116.51 157.77 24.68 Favored 'General case' 0 C--N 1.264 -3.128 0 CA-C-O 127.344 3.45 . . . . 0.0 106.576 -168.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 40.4 tttp -49.41 129.66 18.99 Favored 'General case' 0 CA--C 1.625 3.861 1 O-C-N 116.103 -4.123 . . . . 0.0 110.506 159.683 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 315' ' ' GLY . . . . . . . . . . . . . . . 94.08 -17.05 59.59 Favored Glycine 1 CA--C 1.582 4.267 0 CA-C-O 115.907 -2.607 . . . . 0.0 110.59 176.548 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -73.94 -169.37 0.74 Allowed 'General case' 0 C--O 1.265 1.902 0 CA-C-N 120.104 1.952 . . . . 0.0 113.213 -179.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 317' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -165.68 159.1 16.04 Favored 'General case' 0 C--O 1.19 -2.054 0 O-C-N 118.439 -2.663 . . . . 0.0 112.065 -178.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 15.8 tt -138.97 129.27 32.57 Favored 'Isoleucine or valine' 0 C--O 1.263 1.808 0 N-CA-C 115.483 1.66 . . . . 0.0 115.483 175.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 319' ' ' LEU . . . . . . . . . . . . . 48.9 tp -73.45 129.01 37.09 Favored 'General case' 0 CA--C 1.573 1.833 0 C-N-CA 125.634 1.574 . . . . 0.0 108.751 -177.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 18.6 mt -114.07 97.07 44.18 Favored Pre-proline 0 C--O 1.289 3.151 0 O-C-N 118.757 -2.465 . . . . 0.0 105.437 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 321' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -64.17 105.05 0.54 Allowed 'Trans proline' 0 C--O 1.275 2.367 0 C-N-CA 123.385 2.723 . . . . 0.0 114.05 170.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 322' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -61.29 -34.91 75.99 Favored 'General case' 0 N--CA 1.425 -1.713 0 CA-C-O 113.885 -2.959 . . . . 0.0 111.791 170.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.02 -22.67 0.64 Allowed 'General case' 0 CA--C 1.56 1.347 0 O-C-N 127.066 2.729 . . . . 0.0 115.268 163.229 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 324' ' ' LEU . . . . . 0.414 HD11 HD12 ' A' ' 45' ' ' LEU . 94.6 mt -110.89 -20.86 12.31 Favored 'General case' 0 CA--C 1.573 1.865 0 CA-C-O 127.138 3.352 . . . . 0.0 114.277 178.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 325' ' ' SER . . . . . . . . . . . . . 4.0 t -58.36 -42.41 86.9 Favored 'General case' 0 C--O 1.301 3.773 0 O-C-N 118.263 -2.773 . . . . 0.0 111.757 158.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 326' ' ' GLY . . . . . . . . . . . . . . . -71.78 1.49 30.2 Favored Glycine 0 N--CA 1.503 3.139 0 O-C-N 119.662 -1.899 . . . . 0.0 113.258 175.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 12.2 tp -129.57 -19.55 3.37 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 119.033 -2.451 . . . . 0.0 112.847 -171.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 328' ' ' ASP . . . . . 0.519 ' HB2' ' H ' ' A' ' 68' ' ' GLY . 60.6 t0 -62.88 127.59 31.97 Favored 'General case' 0 C--N 1.283 -2.321 0 CA-C-N 123.517 2.871 . . . . 0.0 114.869 -175.54 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -83.29 -1.77 54.04 Favored 'General case' 0 CA--C 1.47 -2.116 0 C-N-CA 127.049 2.14 . . . . 0.0 106.359 -168.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -74.41 -28.95 61.31 Favored 'General case' 0 N--CA 1.528 3.434 0 C-N-CA 130.192 3.397 . . . . 0.0 112.269 162.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 331' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -118.06 -38.41 3.23 Favored 'General case' 0 CA--C 1.556 1.205 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 -172.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 332' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -111.9 124.79 53.12 Favored 'General case' 0 C--N 1.267 -3.011 0 CA-C-O 127.38 3.467 . . . . 0.0 105.288 -163.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -65.89 -46.58 77.82 Favored 'General case' 0 C--O 1.26 1.632 1 O-C-N 113.725 -5.61 . . . . 0.0 114.727 -176.311 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 334' ' ' CYS . . . . . . . . . . . . . 1.3 m -120.53 94.09 48.66 Favored Pre-proline 0 N--CA 1.416 -2.161 0 C-N-CA 126.192 1.797 . . . . 0.0 112.82 177.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -58.53 -68.95 0.04 OUTLIER 'Trans proline' 0 CA--C 1.545 1.026 1 C-N-CA 127.609 5.539 . . . . 0.0 115.331 -171.052 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 17.6 mmt -83.57 -38.55 21.51 Favored 'General case' 0 C--O 1.161 -3.595 0 N-CA-C 118.268 2.692 . . . . 0.0 118.268 174.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 337' ' ' HIS . . . . . . . . . . . . . 33.3 t-80 -56.08 140.7 42.92 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 112.21 -2.268 . . . . 0.0 112.097 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 338' ' ' VAL . . . . . . . . . . . . 0.29 9.2 p -134.39 109.03 11.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 117.01 2.226 . . . . 0.0 117.01 -171.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 339' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -137.58 141.82 41.31 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 126.188 1.795 . . . . 0.0 108.503 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 340' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -83.67 4.43 28.6 Favored 'General case' 0 CA--C 1.571 1.772 0 O-C-N 118.432 -2.668 . . . . 0.0 109.575 -170.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 341' ' ' SER . . . . . . . . . . . . . 4.0 m -123.8 28.08 7.03 Favored 'General case' 0 N--CA 1.507 2.392 0 CA-C-N 121.724 2.056 . . . . 0.0 114.403 -169.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -91.99 150.63 20.89 Favored 'General case' 0 N--CA 1.529 3.489 0 O-C-N 126.47 2.356 . . . . 0.0 110.539 169.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -82.49 162.6 21.99 Favored 'General case' 0 C--O 1.2 -1.539 0 CA-C-O 123.49 1.614 . . . . 0.0 113.272 -175.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 344' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -37.27 135.19 0.54 Allowed 'General case' 0 CA--C 1.502 -0.895 0 O-C-N 116.93 -3.606 . . . . 0.0 116.783 -156.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 345' ' ' VAL . . . . . 0.427 HG11 ' HB2' ' A' ' 290' ' ' ARG . 14.3 m -65.32 165.26 1.63 Allowed 'Isoleucine or valine' 0 C--O 1.196 -1.738 0 N-CA-C 117.73 2.492 . . . . 0.0 117.73 173.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 346' ' ' SER . . . . . . . . . . . . . 70.7 m -118.98 -10.11 9.92 Favored 'General case' 0 CA--C 1.581 2.156 0 C-N-CA 125.5 1.52 . . . . 0.0 113.296 -163.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 347' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -77.5 -148.45 0.03 OUTLIER 'General case' 0 N--CA 1.433 -1.322 0 CA-C-O 124.885 2.279 . . . . 0.0 114.122 -170.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 348' ' ' THR . . . . . . . . . . . . . 1.7 p -138.78 2.31 2.17 Favored 'General case' 0 C--N 1.379 1.861 0 CA-C-O 115.046 -2.407 . . . . 0.0 114.181 -164.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 349' ' ' THR . . . . . . . . . . . . . 1.3 m -65.51 41.65 0.02 OUTLIER 'General case' 0 C--O 1.27 2.151 0 C-N-CA 127.573 2.349 . . . . 0.0 114.215 172.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 53.3 p90 179.57 -3.21 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.736 1 C-N-CA 132.043 4.137 . . . . 0.0 118.194 -176.735 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 351' ' ' GLY . . . . . 0.444 ' HA3' ' HA ' ' A' ' 356' ' ' LEU . . . 112.6 176.96 19.8 Favored Glycine 0 N--CA 1.511 3.644 0 CA-C-O 126.661 3.367 . . . . 0.0 110.321 178.285 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 352' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -165.32 -112.19 0.01 OUTLIER 'General case' 0 C--O 1.191 -2.015 0 CA-C-O 115.751 -2.071 . . . . 0.0 108.642 -178.379 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . -95.04 -39.94 4.43 Favored Glycine 0 CA--C 1.47 -2.764 0 CA-C-N 123.987 3.085 . . . . 0.0 112.905 -177.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 354' ' ' SER . . . . . . . . . . . . . 70.8 p -84.22 -44.39 13.97 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 114.578 -2.629 . . . . 0.0 112.334 -166.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 355' ' ' HIS . . . . . 0.447 ' HD1' ' CGD' ' A' ' 501' ' ' HEM . 2.6 m-70 -133.2 177.72 7.46 Favored 'General case' 0 N--CA 1.382 -3.829 0 CA-C-N 120.697 1.589 . . . . 0.0 106.863 171.424 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 356' ' ' LEU . . . . . 0.444 ' HA ' ' HA3' ' A' ' 351' ' ' GLY . 18.8 tp -154.39 137.94 15.98 Favored 'General case' 0 C--O 1.26 1.637 0 O-C-N 119.102 -2.249 . . . . 0.0 108.842 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 357' ' ' CYS . . . . . . . . . . . . . 47.7 t -61.81 122.47 15.48 Favored 'General case' 0 C--N 1.373 1.62 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 171.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 358' ' ' LEU . . . . . . . . . . . . . 29.9 mt -79.0 -25.7 43.33 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 120.02 -1.675 . . . . 0.0 114.141 177.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 359' ' ' GLY . . . . . 0.466 ' HA3' ' C3C' ' A' ' 501' ' ' HEM . . . -120.31 -19.11 3.96 Favored Glycine 1 CA--C 1.591 4.79 0 CA-C-O 115.249 -2.973 . . . . 0.0 115.413 -161.716 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . 0.376 3.9 pt20 -47.21 -24.23 0.68 Allowed 'General case' 0 C--O 1.281 2.743 0 CA-C-N 123.896 3.848 . . . . 0.0 113.743 178.368 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 361' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -53.62 -36.61 62.19 Favored 'General case' 0 CA--C 1.489 -1.392 0 CA-C-N 122.597 2.453 . . . . 0.0 117.505 168.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 362' ' ' LEU . . . . . . . . . . . . . 17.8 mt -65.05 -57.1 9.51 Favored 'General case' 0 N--CA 1.518 2.94 0 C-N-CA 126.246 1.818 . . . . 0.0 113.229 168.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -52.75 -54.72 29.86 Favored 'General case' 0 N--CA 1.401 -2.891 0 O-C-N 124.899 1.374 . . . . 0.0 113.603 174.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 364' ' ' ARG . . . . . . . . . . . . . 28.8 mtp180 -63.87 -31.25 72.36 Favored 'General case' 0 CA--C 1.579 2.087 0 CA-C-O 112.899 -3.429 . . . . 0.0 109.514 -178.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 365' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -65.1 -50.86 64.47 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-O 114.942 -2.456 . . . . 0.0 109.711 169.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.01 -29.69 71.02 Favored 'General case' 0 CA--C 1.566 1.589 0 O-C-N 125.725 1.891 . . . . 0.0 106.54 -174.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 367' ' ' ILE . . . . . . . . . . . . . 2.0 mm -62.83 -60.23 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 CA-C-N 120.958 1.708 . . . . 0.0 110.724 168.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . 69.4 mt -57.79 -24.58 23.24 Favored 'Isoleucine or valine' 0 C--O 1.182 -2.493 0 N-CA-C 117.698 2.481 . . . . 0.0 117.698 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 369' ' ' VAL . . . . . . . . . . . . . 45.9 t -79.59 -40.88 21.72 Favored 'Isoleucine or valine' 0 C--O 1.181 -2.515 0 O-C-N 126.865 2.603 . . . . 0.0 109.776 169.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 370' ' ' THR . . . . . . . . . . . . . 51.9 m -58.43 -44.19 89.03 Favored 'General case' 0 C--O 1.205 -1.258 0 CA-C-N 122.045 2.202 . . . . 0.0 111.989 177.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 10.9 mt -66.52 -1.1 3.24 Favored 'General case' 0 CA--C 1.56 1.358 0 N-CA-C 116.242 1.942 . . . . 0.0 116.242 -178.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 372' ' ' LYS . . . . . 0.404 ' O ' HG23 ' A' ' 376' ' ' THR . 35.2 mtmm -111.83 -64.0 1.35 Allowed 'General case' 0 C--N 1.286 -2.168 0 O-C-N 127.213 2.821 . . . . 0.0 109.768 171.16 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -70.2 -21.16 63.06 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 117.176 -1.81 . . . . 0.0 113.783 -167.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 374' ' ' TRP . . . . . . . . . . . . 0.325 8.4 t-105 -74.06 -39.44 63.49 Favored 'General case' 1 N--CA 1.55 4.566 0 O-C-N 119.362 -2.086 . . . . 0.0 113.11 168.856 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.85 -48.83 34.25 Favored 'General case' 0 CA--C 1.462 -2.43 0 C-N-CA 128.294 2.638 . . . . 0.0 115.92 -171.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 376' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 372' ' ' LYS . 34.9 p -47.48 -35.81 9.25 Favored 'General case' 1 N--CA 1.544 4.228 0 C-N-CA 128.092 2.557 . . . . 0.0 112.075 167.591 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 67.1 mtt85 -95.93 -57.21 2.42 Favored 'General case' 0 CA--C 1.498 -1.025 0 N-CA-C 105.047 -2.205 . . . . 0.0 105.047 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 378' ' ' ILE . . . . . . . . . . . . . 22.0 mt -114.84 75.31 3.74 Favored Pre-proline 0 N--CA 1.517 2.884 0 O-C-N 118.274 -2.766 . . . . 0.0 110.078 -162.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -78.12 -25.23 7.47 Favored 'Trans proline' 0 C--N 1.367 1.513 0 CA-C-N 123.164 2.166 . . . . 0.0 113.863 -173.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -108.75 133.72 52.44 Favored 'General case' 0 C--O 1.273 2.323 0 CA-C-O 112.787 -3.482 . . . . 0.0 111.182 175.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 381' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -166.24 151.13 8.11 Favored 'General case' 0 C--N 1.306 -1.289 0 C-N-CA 129.427 3.091 . . . . 0.0 113.69 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 44.4 m -146.48 155.56 42.63 Favored 'General case' 0 N--CA 1.485 1.295 0 O-C-N 118.906 -2.371 . . . . 0.0 105.896 -174.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 383' ' ' ILE . . . . . . . . . . . . . 8.2 mt -68.39 140.31 19.24 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.733 0 O-C-N 120.056 -1.652 . . . . 0.0 106.894 175.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 384' ' ' ALA . . . . . . . . . . . . . . . -52.44 142.79 29.39 Favored Pre-proline 0 N--CA 1.51 2.561 0 C-N-CA 126.076 1.75 . . . . 0.0 109.786 -174.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 385' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -68.64 140.64 47.72 Favored 'Trans proline' 0 C--O 1.181 -2.358 0 C-N-CA 122.88 2.387 . . . . 0.0 112.343 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 386' ' ' GLY . . . . . . . . . . . . . . . 74.79 -12.37 6.33 Favored Glycine 0 CA--C 1.576 3.861 0 CA-C-O 116.832 -2.093 . . . . 0.0 115.632 -174.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 387' ' ' ALA . . . . . . . . . . . . . . . -67.71 159.75 29.47 Favored 'General case' 0 N--CA 1.506 2.353 0 C-N-CA 127.857 2.463 . . . . 0.0 110.905 167.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -146.25 156.79 43.63 Favored 'General case' 0 N--CA 1.442 -0.83 0 O-C-N 118.757 -2.465 . . . . 0.0 111.385 157.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 389' ' ' ILE . . . . . . . . . . . . . 15.7 mm -98.52 144.12 12.03 Favored 'Isoleucine or valine' 0 CA--C 1.593 2.61 0 CA-C-O 124.394 2.045 . . . . 0.0 108.664 -175.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -135.01 104.35 5.92 Favored 'General case' 0 C--N 1.29 -2.001 1 C-N-CA 132.494 4.318 . . . . 0.0 109.405 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 391' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -70.02 152.48 44.36 Favored 'General case' 0 C--O 1.26 1.644 0 C-N-CA 126.99 2.116 . . . . 0.0 109.097 175.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 14.9 mmmm -128.32 74.82 1.58 Allowed 'General case' 0 C--O 1.191 -2.023 0 CA-C-O 126.385 2.993 . . . . 0.0 110.858 -175.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 34.1 t -51.38 157.74 0.96 Allowed 'General case' 0 N--CA 1.509 2.5 0 CA-C-N 112.408 -2.178 . . . . 0.0 112.438 171.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . 158.38 -174.23 35.53 Favored Glycine 0 N--CA 1.504 3.197 0 N-CA-C 108.913 -1.675 . . . . 0.0 108.913 -177.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 395' ' ' ILE . . . . . . . . . . . . . 4.4 pt -55.12 -42.43 65.15 Favored 'Isoleucine or valine' 0 C--O 1.25 1.121 0 C-N-CA 124.096 0.959 . . . . 0.0 110.041 -175.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 396' ' ' VAL . . . . . . . . . . . . . 85.0 t -122.51 135.08 63.78 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.181 0 N-CA-C 104.799 -2.297 . . . . 0.0 104.799 157.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 397' ' ' SER . . . . . . . . . . . . 0.299 17.0 m -100.62 155.09 18.07 Favored 'General case' 0 C--O 1.189 -2.081 0 O-C-N 116.638 -3.789 . . . . 0.0 114.066 -168.415 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . -132.69 -167.42 11.74 Favored Glycine 1 CA--C 1.582 4.27 0 CA-C-O 117.262 -1.855 . . . . 0.0 115.101 177.089 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 399' ' ' VAL . . . . . . . . . . . . . 14.2 p -136.35 150.65 27.75 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.943 0 CA-C-O 123.162 1.458 . . . . 0.0 109.287 170.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 400' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -63.85 -32.08 73.48 Favored 'General case' 0 CA--C 1.569 1.676 0 CA-C-N 112.55 -2.114 . . . . 0.0 110.349 -168.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 401' ' ' ALA . . . . . . . . . . . . . . . 174.53 168.5 0.25 Allowed 'General case' 0 N--CA 1.423 -1.824 0 C-N-CA 131.067 3.747 . . . . 0.0 104.952 -166.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 402' ' ' LEU . . . . . . . . . . . . . 49.5 tp -150.58 81.55 6.49 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-O 124.137 1.923 . . . . 0.0 109.345 168.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 403' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -73.71 100.05 1.22 Allowed 'Trans proline' 0 C--O 1.241 0.662 1 C-N-CA 128.112 5.875 . . . . 0.0 112.465 177.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 62.4 mt -97.7 154.52 17.52 Favored 'General case' 0 C--O 1.191 -1.975 0 N-CA-C 116.913 2.19 . . . . 0.0 116.913 175.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 5.8 m -133.51 159.68 42.63 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.601 0 C-N-CA 128.299 2.64 . . . . 0.0 114.849 169.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 406' ' ' TRP . . . . . . . . . . . . . 47.7 p90 -163.21 144.58 9.62 Favored 'General case' 0 C--N 1.379 1.883 0 CA-C-O 116.558 -1.687 . . . . 0.0 110.532 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 407' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -57.67 119.9 36.93 Favored Pre-proline 0 C--O 1.257 1.491 0 C-N-CA 118.786 -1.166 . . . . 0.0 111.317 158.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -74.82 -29.83 8.15 Favored 'Trans proline' 0 CA--C 1.569 2.256 0 C-N-CA 123.077 2.518 . . . . 0.0 113.281 -171.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -66.42 -2.37 4.51 Favored 'General case' 0 CA--C 1.562 1.405 0 CA-C-O 123.791 1.758 . . . . 0.0 112.826 173.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 51.4 p -66.86 -29.59 69.54 Favored 'General case' 0 C--N 1.291 -1.96 0 O-C-N 117.35 -3.344 . . . . 0.0 111.853 171.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 411' ' ' THR . . . . . . . . . . . . . 30.9 p -83.93 165.24 18.84 Favored 'General case' 1 N--CA 1.546 4.344 0 C-N-CA 127.455 2.302 . . . . 0.0 113.506 -166.416 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 412' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -133.48 149.14 51.74 Favored 'General case' 0 N--CA 1.47 0.563 1 O-C-N 115.009 -4.807 . . . . 0.0 110.367 170.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -68.62 126.76 30.69 Favored 'General case' 0 C--O 1.288 3.119 0 C-N-CA 118.71 -1.196 . . . . 0.0 110.975 170.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 414' ' ' VAL . . . . . . . . . . . . . 52.8 t . . . . . 0 N--CA 1.42 -1.939 0 N-CA-C 103.576 -2.75 . . . . 0.0 103.576 172.935 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 501' ' ' HEM . . . . . 0.466 ' C3C' ' HA3' ' A' ' 359' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 502' ' ' CMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 503' ' ' ' K' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 601' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 603' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 604' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 608' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 609' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 610' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 611' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 612' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 613' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 614' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 615' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 616' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 617' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 618' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 619' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 620' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 621' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 622' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 623' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 624' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 625' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 626' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 627' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 . . . . . 0 N--CA 1.495 1.82 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.4 tp -130.53 137.86 49.92 Favored 'General case' 0 N--CA 1.534 3.731 0 O-C-N 116.488 -3.882 . . . . 0.0 113.678 -178.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.07 153.04 55.12 Favored Pre-proline 0 N--CA 1.513 2.688 0 O-C-N 117.469 -3.269 . . . . 0.0 112.948 -169.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -77.5 161.76 31.08 Favored 'Trans proline' 0 CA--C 1.568 2.198 0 C-N-CA 123.327 2.685 . . . . 0.0 109.1 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.1 tp -85.39 133.01 43.22 Favored Pre-proline 0 C--O 1.203 -1.37 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 -161.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -81.01 115.47 3.0 Favored 'Trans proline' 0 C--N 1.387 2.586 0 N-CA-C 104.613 -2.88 . . . . 0.0 104.613 178.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -69.06 -0.64 6.62 Favored 'Trans proline' 0 CA--C 1.582 2.903 0 O-C-N 118.53 -1.352 . . . . 0.0 115.435 -167.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.5 p-80 -71.34 -27.68 63.54 Favored 'General case' 0 N--CA 1.509 2.523 0 C-N-CA 118.639 -1.224 . . . . 0.0 112.421 165.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.8 t -69.54 128.48 92.15 Favored Pre-proline 0 N--CA 1.502 2.163 0 O-C-N 119.24 -2.163 . . . . 0.0 111.049 159.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -86.74 136.41 4.41 Favored 'Trans proline' 0 N--CA 1.433 -2.048 1 C-N-CA 126.571 4.847 . . . . 0.0 106.173 169.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -65.61 -34.6 78.61 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 119.611 -1.931 . . . . 0.0 112.244 -161.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 11.2 p80 -53.8 -21.14 6.8 Favored 'General case' 0 CA--C 1.608 3.181 0 CA-C-N 120.71 1.596 . . . . 0.0 110.872 -169.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.6 mt -74.96 -30.43 61.2 Favored 'General case' 0 C--N 1.284 -2.261 0 N-CA-C 114.746 1.387 . . . . 0.0 114.746 174.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 80.5 t -59.58 135.82 23.79 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.222 0 CA-C-O 114.289 -2.767 . . . . 0.0 113.74 -166.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -134.64 137.6 43.78 Favored 'General case' 0 C--O 1.242 0.696 0 O-C-N 125.833 1.958 . . . . 0.0 110.476 176.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -79.3 116.89 19.83 Favored 'General case' 0 C--N 1.367 1.351 0 O-C-N 126.343 2.277 . . . . 0.0 112.346 168.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -176.7 122.66 0.15 Allowed 'General case' 0 N--CA 1.516 2.835 0 O-C-N 125.84 1.963 . . . . 0.0 114.686 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -100.55 135.66 41.64 Favored 'General case' 0 C--N 1.342 0.277 0 C-N-CA 125.901 1.681 . . . . 0.0 114.76 170.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.2 ptt? -58.51 -25.26 62.2 Favored 'General case' 0 C--N 1.358 0.961 0 N-CA-C 118.538 2.792 . . . . 0.0 118.538 175.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -99.59 -24.73 14.65 Favored 'General case' 0 C--O 1.249 1.054 0 O-C-N 117.783 -3.073 . . . . 0.0 116.598 173.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -121.52 80.25 38.52 Favored Pre-proline 0 CA--C 1.593 2.634 0 N-CA-C 119.888 3.292 . . . . 0.0 119.888 162.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -71.14 -166.85 0.25 Allowed 'Trans proline' 0 C--O 1.281 2.658 0 C-N-CA 123.577 2.851 . . . . 0.0 108.508 -174.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 92.4 p -65.22 -14.39 60.56 Favored 'General case' 0 N--CA 1.513 2.713 1 O-C-N 111.709 -6.87 . . . . 0.0 117.552 -164.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.4 t30 -171.53 115.25 0.39 Allowed 'General case' 0 C--O 1.254 1.315 0 C-N-CA 119.745 -0.782 . . . . 0.0 112.543 -173.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.6 mt -66.21 -7.91 21.13 Favored 'General case' 0 C--N 1.393 2.461 0 CA-C-O 126.049 2.833 . . . . 0.0 115.605 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 54.7 m -94.03 -8.91 38.5 Favored 'General case' 0 N--CA 1.517 2.881 1 O-C-N 115.599 -4.438 . . . . 0.0 113.999 179.156 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -97.72 167.7 10.79 Favored 'General case' 0 N--CA 1.502 2.13 0 C-N-CA 123.977 0.911 . . . . 0.0 113.062 175.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.48 145.23 30.17 Favored Glycine 1 N--CA 1.529 4.838 0 O-C-N 127.107 2.754 . . . . 0.0 108.909 174.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 41.5 t -54.43 -36.46 34.5 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 CA-C-N 118.35 1.075 . . . . 0.0 111.799 -165.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.37 -47.8 80.6 Favored 'General case' 0 N--CA 1.517 2.876 0 O-C-N 117.922 -2.986 . . . . 0.0 106.472 175.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -76.38 -17.88 59.15 Favored 'General case' 0 N--CA 1.507 2.385 0 CA-C-O 117.044 -1.455 . . . . 0.0 114.076 -177.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.42 -33.61 65.04 Favored 'General case' 0 N--CA 1.425 -1.691 0 C-N-CA 125.786 1.634 . . . . 0.0 113.954 167.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 36.8 m95 -95.53 -10.47 29.57 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.349 -1.469 . . . . 0.0 112.516 176.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.48 -31.27 45.11 Favored 'General case' 0 C--O 1.267 2.018 0 CA-C-O 112.579 -3.581 . . . . 0.0 115.079 -177.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -50.89 -16.68 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.374 1.668 0 CA-C-N 125.541 3.791 . . . . 0.0 112.999 178.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.414 HD12 HD11 ' A' ' 324' ' ' LEU . 33.3 mt -80.4 -10.87 59.75 Favored 'General case' 0 C--O 1.198 -1.621 0 O-C-N 119.435 -2.041 . . . . 0.0 112.718 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -100.34 7.77 44.11 Favored 'General case' 0 C--O 1.275 2.412 0 CA-C-O 113.799 -3.0 . . . . 0.0 117.0 177.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -57.15 151.84 14.71 Favored 'General case' 0 C--O 1.287 3.056 0 CA-C-N 122.307 2.321 . . . . 0.0 112.996 172.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.9 p -68.47 -9.54 49.51 Favored 'General case' 1 N--CA 1.564 5.258 0 N-CA-C 117.847 2.536 . . . . 0.0 117.847 -164.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -86.33 -20.97 27.55 Favored 'General case' 0 CA--C 1.573 1.842 0 CA-C-O 115.799 -2.048 . . . . 0.0 108.864 171.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.9 t -79.44 131.12 66.17 Favored Pre-proline 0 CA--C 1.489 -1.368 0 CA-C-N 123.024 2.647 . . . . 0.0 107.608 -160.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_exo -56.6 173.78 0.46 Allowed 'Trans proline' 0 CA--C 1.583 2.934 0 CA-C-N 125.862 3.129 . . . . 0.0 115.736 170.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -71.55 -9.57 58.42 Favored 'General case' 0 CA--C 1.592 2.592 0 C-N-CA 125.828 1.651 . . . . 0.0 110.556 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.449 ' N ' HD23 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -158.98 146.43 17.54 Favored 'General case' 0 C--N 1.273 -2.724 0 O-C-N 120.793 -1.192 . . . . 0.0 108.471 -177.675 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.1 m -130.66 151.5 36.02 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.191 0 C-N-CA 129.655 3.182 . . . . 0.0 111.648 -177.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 69.1 t-105 -98.37 124.23 42.91 Favored 'General case' 0 C--O 1.208 -1.09 0 C-N-CA 124.796 1.238 . . . . 0.0 108.562 158.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.7 t -100.53 131.74 46.28 Favored 'General case' 0 CA--C 1.561 1.368 0 C-N-CA 131.391 3.877 . . . . 0.0 105.796 167.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 -85.8 -9.33 57.24 Favored 'General case' 0 N--CA 1.51 2.539 0 C-N-CA 126.339 1.855 . . . . 0.0 108.625 175.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 87.0 m -71.1 159.89 33.88 Favored 'General case' 0 C--O 1.276 2.448 0 N-CA-C 115.056 1.502 . . . . 0.0 115.056 176.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 34.8 m120 62.14 23.03 13.55 Favored 'General case' 0 CA--C 1.579 2.076 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -175.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 80.14 0.92 87.25 Favored Glycine 1 CA--C 1.58 4.14 0 N-CA-C 118.57 2.188 . . . . 0.0 118.57 -170.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.13 125.46 5.57 Favored Glycine 0 N--CA 1.514 3.896 0 CA-C-O 116.611 -2.216 . . . . 0.0 113.244 -175.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -166.15 145.4 5.98 Favored 'General case' 0 C--N 1.263 -3.178 0 N-CA-C 121.155 3.761 . . . . 0.0 121.155 167.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 69.4 m95 -78.87 132.71 36.89 Favored 'General case' 0 C--O 1.21 -1.026 0 O-C-N 119.187 -2.196 . . . . 0.0 109.057 177.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.3 mt -110.97 141.38 26.49 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.948 0 C-N-CA 126.587 1.955 . . . . 0.0 112.781 166.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.416 ' HA ' ' HA ' ' A' ' 53' ' ' LEU . . . -91.5 136.44 33.12 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 125.39 2.519 . . . . 0.0 107.539 161.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.0 p -89.33 -26.79 20.92 Favored 'General case' 0 C--N 1.372 1.578 0 O-C-N 117.05 -3.532 . . . . 0.0 112.782 172.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 -105.03 130.93 53.12 Favored 'General case' 0 CA--C 1.48 -1.731 0 CA-C-O 122.065 0.936 . . . . 0.0 111.892 -164.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.519 ' H ' ' HB2' ' A' ' 328' ' ' ASP . . . -49.18 -42.1 31.51 Favored Glycine 0 CA--C 1.48 -2.096 0 C-N-CA 125.862 1.696 . . . . 0.0 110.156 169.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -62.26 -49.13 76.91 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-O 116.297 -1.811 . . . . 0.0 110.104 -175.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 37.8 tp -64.4 -42.75 95.91 Favored 'General case' 0 CA--C 1.556 1.203 0 C-N-CA 114.635 -2.826 . . . . 0.0 112.501 176.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 47.6 mt -50.17 -53.7 10.68 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.3 0 O-C-N 125.514 1.759 . . . . 0.0 109.645 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 43.8 ttt-85 -61.72 -18.6 60.33 Favored 'General case' 0 CA--C 1.562 1.415 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 174.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -89.67 -40.04 12.81 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 119.503 -1.998 . . . . 0.0 116.367 170.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.28 -43.25 53.29 Favored 'General case' 0 C--O 1.203 -1.353 0 CA-C-O 122.864 1.316 . . . . 0.0 114.325 161.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -66.37 -23.38 66.33 Favored 'General case' 0 C--N 1.379 1.856 0 O-C-N 119.405 -2.059 . . . . 0.0 114.933 -177.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -67.1 -74.13 0.12 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 116.755 -3.715 . . . . 0.0 112.982 -175.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -86.92 114.8 23.86 Favored 'General case' 0 CA--C 1.573 1.841 0 C-N-CA 124.641 1.177 . . . . 0.0 113.515 -176.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -63.39 -28.37 69.94 Favored 'General case' 0 N--CA 1.52 3.046 0 O-C-N 128.368 3.543 . . . . 0.0 108.233 176.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 58.3 mtp180 -70.46 -20.77 62.86 Favored 'General case' 0 C--N 1.351 0.662 0 O-C-N 117.737 -3.102 . . . . 0.0 115.233 -179.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . 0.256 13.5 t-80 -96.55 -28.4 14.4 Favored 'General case' 0 CA--C 1.569 1.674 0 CA-C-O 123.993 1.854 . . . . 0.0 115.661 176.112 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -148.71 135.63 19.93 Favored 'General case' 0 N--CA 1.519 2.992 0 O-C-N 117.705 -3.122 . . . . 0.0 113.809 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 30.5 t -119.69 138.26 53.39 Favored 'General case' 0 N--CA 1.505 2.276 0 O-C-N 124.931 1.394 . . . . 0.0 111.457 -172.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 71.2 m -68.24 2.29 2.32 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 130.703 3.601 . . . . 0.0 115.193 164.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -61.32 -24.53 66.51 Favored 'General case' 0 C--O 1.267 1.984 0 CA-C-N 120.968 1.713 . . . . 0.0 113.582 -155.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.1 t -133.91 109.55 11.88 Favored Pre-proline 0 N--CA 1.509 2.481 0 O-C-N 121.227 -0.921 . . . . 0.0 108.624 155.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.403 ' HD2' ' CZ ' ' A' ' 96' ' ' TYR . 19.4 Cg_endo -91.2 4.12 4.24 Favored 'Trans proline' 0 C--O 1.244 0.805 0 CA-C-N 121.845 1.695 . . . . 0.0 108.335 -169.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 13.9 m-30 -110.67 101.48 10.12 Favored 'General case' 0 C--O 1.254 1.292 0 N-CA-C 107.421 -1.325 . . . . 0.0 107.421 -170.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . 0.336 2.8 tt -76.79 -35.64 1.49 Allowed Pre-proline 0 C--O 1.265 1.893 0 N-CA-C 119.748 3.24 . . . . 0.0 119.748 -166.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -68.53 145.57 64.85 Favored 'Trans proline' 0 C--N 1.366 1.466 0 C-N-CA 116.013 -2.191 . . . . 0.0 110.313 -177.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -47.68 -47.16 29.76 Favored 'General case' 0 C--O 1.193 -1.89 0 C-N-CA 125.774 1.629 . . . . 0.0 112.381 -165.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -53.47 -40.81 65.58 Favored 'General case' 0 C--O 1.274 2.386 0 C-N-CA 126.72 2.008 . . . . 0.0 109.366 -177.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . 0.331 . . -81.77 -41.99 20.39 Favored 'General case' 0 CA--C 1.478 -1.802 0 O-C-N 124.75 1.281 . . . . 0.0 108.556 178.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -56.76 -28.28 56.85 Favored Glycine 0 CA--C 1.559 2.823 0 N-CA-C 117.289 1.676 . . . . 0.0 117.289 177.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -94.73 13.89 23.0 Favored 'General case' 0 C--O 1.259 1.566 0 N-CA-C 115.793 1.775 . . . . 0.0 115.793 178.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -156.51 -11.36 0.1 Allowed 'General case' 0 CA--C 1.478 -1.819 0 N-CA-C 118.479 2.77 . . . . 0.0 118.479 -173.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.403 ' CZ ' ' HD2' ' A' ' 86' ' ' PRO . 4.3 t80 -75.61 131.43 39.97 Favored 'General case' 0 CA--C 1.498 -1.04 0 N-CA-C 104.322 -2.473 . . . . 0.0 104.322 174.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -171.06 111.38 0.35 Allowed 'General case' 0 N--CA 1.529 3.5 0 N-CA-C 100.555 -3.869 . . . . 0.0 100.555 169.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -150.63 144.05 25.0 Favored 'General case' 0 C--N 1.364 1.215 0 O-C-N 116.718 -3.739 . . . . 0.0 114.944 -169.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.2 mt -93.97 143.56 26.66 Favored Pre-proline 0 N--CA 1.507 2.411 0 N-CA-C 104.171 -2.529 . . . . 0.0 104.171 -170.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -80.85 -23.35 14.26 Favored 'Cis proline' 0 C--N 1.366 1.456 0 CA-C-O 124.062 1.609 . . . . 0.0 115.644 -2.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 52.1 m -32.94 -63.38 0.22 Allowed 'General case' 0 C--O 1.199 -1.563 0 N-CA-C 117.231 2.308 . . . . 0.0 117.231 178.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.5 m -81.35 30.65 0.34 Allowed 'General case' 0 N--CA 1.537 3.901 0 N-CA-C 118.056 2.613 . . . . 0.0 118.056 175.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 76.1 mmm -120.94 144.99 48.17 Favored 'General case' 0 C--O 1.194 -1.848 0 CA-C-O 124.026 1.869 . . . . 0.0 107.843 175.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -77.05 146.34 75.12 Favored Pre-proline 0 C--N 1.36 1.054 0 O-C-N 118.516 -2.615 . . . . 0.0 107.717 -171.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . 0.292 26.7 Cg_endo -73.89 159.99 44.08 Favored 'Trans proline' 0 C--N 1.382 2.321 0 CA-C-O 113.337 -2.86 . . . . 0.0 115.789 163.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . 0.256 91.6 Cg_endo -79.09 -23.38 14.28 Favored 'Cis proline' 0 N--CA 1.432 -2.096 0 C-N-CA 132.416 2.257 . . . . 0.0 114.853 5.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -58.54 -30.83 67.41 Favored 'General case' 0 CA--C 1.584 2.282 0 O-C-N 126.383 2.302 . . . . 0.0 113.395 -178.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -45.96 -38.57 7.81 Favored 'General case' 0 CA--C 1.57 1.731 0 CA-C-O 123.46 1.6 . . . . 0.0 112.967 178.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 26.0 ttp-105 -61.92 -25.48 67.6 Favored 'General case' 0 N--CA 1.427 -1.597 0 N-CA-C 116.838 2.162 . . . . 0.0 116.838 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -64.41 -57.58 8.88 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 126.35 2.281 . . . . 0.0 110.76 165.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -52.66 -39.6 62.02 Favored 'General case' 0 CA--C 1.555 1.15 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 178.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 61.3 mtp85 -55.01 -43.33 73.56 Favored 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 129.639 3.176 . . . . 0.0 113.385 172.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -73.5 -39.06 65.12 Favored 'General case' 0 N--CA 1.494 1.769 0 CA-C-O 122.964 1.364 . . . . 0.0 112.283 176.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 14.5 tp -59.63 -57.67 11.93 Favored 'General case' 0 C--O 1.18 -2.573 0 O-C-N 117.227 -3.42 . . . . 0.0 109.724 170.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -40.62 -52.56 2.87 Favored 'General case' 0 C--N 1.316 -0.879 0 O-C-N 119.283 -2.136 . . . . 0.0 115.582 168.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -46.68 -42.91 17.21 Favored 'General case' 0 CA--C 1.587 2.399 0 C-N-CA 128.646 2.778 . . . . 0.0 111.853 171.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -84.4 -34.33 23.57 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 127.012 2.125 . . . . 0.0 114.147 177.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 87.1 t -52.35 -51.28 33.7 Favored 'Isoleucine or valine' 1 N--CA 1.551 4.576 0 N-CA-C 103.727 -2.694 . . . . 0.0 103.727 166.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . 0.303 14.6 m -79.28 24.17 0.08 OUTLIER 'Isoleucine or valine' 1 N--CA 1.377 -4.081 0 N-CA-C 118.222 2.675 . . . . 0.0 118.222 171.106 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -71.28 133.55 22.09 Favored Glycine 0 CA--C 1.57 3.484 0 O-C-N 117.221 -3.425 . . . . 0.0 116.096 176.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 59.5 mtm -70.83 -24.17 0.72 Allowed Pre-proline 0 C--N 1.303 -1.422 0 N-CA-C 120.49 3.515 . . . . 0.0 120.49 178.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -48.32 -38.45 34.05 Favored 'Trans proline' 0 C--O 1.191 -1.855 0 CA-C-N 125.399 2.964 . . . . 0.0 116.615 174.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 9.9 p -68.01 -23.94 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 N-CA-C 116.309 1.966 . . . . 0.0 116.309 177.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 15.5 m -99.68 -12.28 8.45 Favored 'Isoleucine or valine' 0 C--N 1.349 0.559 0 N-CA-C 115.102 1.519 . . . . 0.0 115.102 175.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -83.39 -27.93 29.27 Favored 'General case' 0 C--N 1.368 1.375 0 C-N-CA 129.364 3.066 . . . . 0.0 111.925 -168.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 41.9 tptt -52.65 -32.55 42.62 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-N 114.215 -1.357 . . . . 0.0 114.02 157.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . 0.321 6.5 mt -95.22 -0.7 52.85 Favored 'General case' 0 C--O 1.182 -2.494 0 C-N-CA 130.071 3.349 . . . . 0.0 115.199 -171.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -48.52 -45.05 36.77 Favored 'General case' 0 CA--C 1.554 1.116 0 CA-C-N 121.716 2.053 . . . . 0.0 114.896 -171.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 30.9 t-20 -72.02 -39.23 69.32 Favored 'General case' 0 C--O 1.257 1.492 0 C-N-CA 125.434 1.494 . . . . 0.0 108.267 176.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 53.3 mtp180 -58.98 -35.64 73.54 Favored 'General case' 0 CA--C 1.562 1.409 0 CA-C-O 116.0 -1.952 . . . . 0.0 113.823 170.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 69.5 mt -80.73 -32.92 13.15 Favored 'Isoleucine or valine' 0 C--O 1.259 1.554 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 -178.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -71.08 -33.36 70.14 Favored 'General case' 0 C--N 1.287 -2.111 0 O-C-N 125.133 1.52 . . . . 0.0 110.867 173.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -60.82 -47.22 87.34 Favored 'General case' 0 C--N 1.294 -1.807 0 C-N-CA 129.915 3.286 . . . . 0.0 112.081 166.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 8.2 tp -49.75 -47.21 50.95 Favored 'General case' 0 CA--C 1.569 1.696 0 O-C-N 117.552 -3.217 . . . . 0.0 113.993 174.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -58.47 -56.44 22.1 Favored 'General case' 0 C--O 1.251 1.14 0 CA-C-O 124.061 1.886 . . . . 0.0 112.982 168.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 38.2 t -52.95 -48.9 67.02 Favored 'General case' 0 C--N 1.364 1.232 0 O-C-N 117.234 -3.416 . . . . 0.0 114.297 174.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 6.9 m -45.54 -44.72 12.96 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 117.698 2.481 . . . . 0.0 117.698 167.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 28.4 mt -81.33 -40.37 23.68 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 115.781 1.771 . . . . 0.0 115.781 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 10.5 mt -68.22 -39.43 81.13 Favored 'Isoleucine or valine' 0 C--N 1.37 1.49 0 CA-C-O 122.836 1.303 . . . . 0.0 112.629 169.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -72.65 -16.4 61.71 Favored 'General case' 0 CA--C 1.56 1.35 0 O-C-N 116.354 -3.966 . . . . 0.0 113.531 -176.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 7.4 t -72.07 -9.01 57.81 Favored 'General case' 0 N--CA 1.402 -2.829 1 O-C-N 113.834 -5.541 . . . . 0.0 119.073 157.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 52.2 mt -116.32 -42.23 3.05 Favored 'General case' 0 C--O 1.241 0.636 0 O-C-N 120.019 -1.676 . . . . 0.0 108.402 -176.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . 0.26 34.6 ttp85 -44.88 -53.68 15.16 Favored Pre-proline 0 C--O 1.261 1.658 0 N-CA-C 118.873 2.916 . . . . 0.0 118.873 -164.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -73.74 -9.57 22.64 Favored 'Trans proline' 1 C--N 1.417 4.138 0 N-CA-C 115.308 1.234 . . . . 0.0 115.308 175.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -79.05 -13.52 59.72 Favored 'General case' 0 CA--C 1.567 1.623 0 CA-C-O 116.322 -1.799 . . . . 0.0 115.01 -174.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 71.26 10.66 70.01 Favored Glycine 0 CA--C 1.562 3.0 0 O-C-N 126.263 2.227 . . . . 0.0 115.354 178.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -162.08 165.53 27.05 Favored 'General case' 0 C--N 1.283 -2.293 0 C-N-CA 123.781 0.833 . . . . 0.0 112.564 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' CYS . . . . . . . . . . . . . 1.4 p -150.35 -171.1 3.83 Favored 'General case' 0 CA--C 1.56 1.339 0 CA-C-O 125.114 2.388 . . . . 0.0 112.647 153.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -130.1 90.76 3.01 Favored 'General case' 0 CA--C 1.569 1.686 0 O-C-N 117.256 -3.402 . . . . 0.0 106.224 163.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -57.85 -29.45 64.99 Favored 'General case' 0 C--N 1.365 1.255 0 N-CA-C 115.585 1.698 . . . . 0.0 115.585 -158.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 15.2 p -51.03 -61.1 2.44 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.873 -1.142 . . . . 0.0 112.231 167.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -81.42 -33.17 32.35 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 -174.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -87.8 -12.85 43.82 Favored 'General case' 0 CA--C 1.563 1.451 0 C-N-CA 130.524 3.529 . . . . 0.0 111.644 -170.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -142.4 -60.05 0.45 Allowed 'General case' 0 CA--C 1.561 1.394 0 CA-C-N 120.605 1.548 . . . . 0.0 113.406 173.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.7 -48.42 81.2 Favored 'General case' 0 CA--C 1.601 2.922 0 CA-C-O 114.231 -2.795 . . . . 0.0 115.655 -170.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -56.56 -69.1 0.47 Allowed Pre-proline 0 C--O 1.283 2.842 0 CA-C-N 120.464 1.484 . . . . 0.0 110.294 165.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . 0.255 11.9 Cg_endo -43.27 -61.6 0.54 Allowed 'Trans proline' 0 C--N 1.385 2.462 0 C-N-CA 124.458 3.439 . . . . 0.0 118.068 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . 0.562 ' CE1' HD11 ' A' ' 162' ' ' ILE . 14.3 t80 -58.43 -70.42 0.39 Allowed Pre-proline 0 N--CA 1.427 -1.605 1 O-C-N 116.223 -4.048 . . . . 0.0 115.82 -165.412 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . 0.4 ' CD ' ' HB3' ' A' ' 158' ' ' PHE . 89.8 Cg_endo -60.32 -32.69 94.45 Favored 'Trans proline' 0 CA--C 1.549 1.23 0 C-N-CA 120.667 0.911 . . . . 0.0 113.694 177.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 69.9 mt -66.67 -49.69 72.55 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.35 0 CA-C-N 122.041 2.2 . . . . 0.0 111.796 172.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -61.02 -29.39 69.68 Favored 'General case' 0 N--CA 1.484 1.249 0 O-C-N 121.027 -1.045 . . . . 0.0 113.288 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . 0.562 HD11 ' CE1' ' A' ' 158' ' ' PHE 0.282 19.9 mt -66.39 -57.63 9.64 Favored 'Isoleucine or valine' 0 C--O 1.163 -3.499 0 CA-C-O 122.097 0.951 . . . . 0.0 110.778 167.013 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -52.8 -29.3 26.76 Favored 'General case' 1 CA--C 1.631 4.06 0 O-C-N 119.69 -1.881 . . . . 0.0 114.804 177.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -71.84 -37.89 70.21 Favored 'General case' 0 C--N 1.273 -2.757 0 CA-C-O 115.08 -2.39 . . . . 0.0 109.35 173.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 87.5 mt -58.56 -59.59 5.14 Favored 'General case' 0 N--CA 1.518 2.959 0 CA-C-N 124.177 3.171 . . . . 0.0 108.942 163.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 14.0 tp -45.41 -32.78 2.27 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-O 115.932 -1.985 . . . . 0.0 115.449 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . 0.296 . . -110.06 -2.62 16.9 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 120.628 1.558 . . . . 0.0 110.566 -170.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 71.82 16.95 76.49 Favored Glycine 0 C--O 1.201 -1.945 0 O-C-N 124.455 1.097 . . . . 0.0 111.415 -177.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 7.3 mp -83.15 139.41 42.3 Favored Pre-proline 0 CA--C 1.576 1.961 0 CA-C-O 116.354 -1.784 . . . . 0.0 114.509 -175.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -77.71 131.6 11.43 Favored 'Trans proline' 0 C--O 1.264 1.785 0 CA-C-N 120.624 1.259 . . . . 0.0 114.335 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -45.62 -29.43 1.22 Allowed 'General case' 0 N--CA 1.531 3.6 0 C-N-CA 127.534 2.334 . . . . 0.0 115.798 174.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -64.79 -25.71 68.03 Favored 'General case' 0 CA--C 1.594 2.669 0 O-C-N 119.055 -2.278 . . . . 0.0 111.376 175.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -66.04 -8.89 25.91 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 117.649 -3.157 . . . . 0.0 116.835 168.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 65.7 mt -62.3 -35.65 22.07 Favored Pre-proline 0 C--O 1.265 1.915 0 CA-C-O 114.816 -2.516 . . . . 0.0 116.229 -174.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -65.61 -29.87 51.79 Favored 'Trans proline' 0 C--O 1.257 1.434 0 O-C-N 124.322 1.696 . . . . 0.0 113.798 176.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -60.38 -58.94 6.35 Favored 'General case' 0 C--N 1.271 -2.807 0 O-C-N 117.845 -3.034 . . . . 0.0 111.769 174.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . 0.407 HD21 ' CE1' ' A' ' 203' ' ' TYR . 76.4 mt -79.92 -37.64 34.16 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 119.479 -2.013 . . . . 0.0 111.878 -161.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.25 -35.08 79.14 Favored 'General case' 0 C--N 1.407 3.074 0 O-C-N 119.164 -2.21 . . . . 0.0 115.926 168.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -56.0 -48.46 75.85 Favored 'General case' 0 N--CA 1.522 3.167 0 O-C-N 118.928 -2.357 . . . . 0.0 112.57 167.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 95.8 mt -62.95 -51.18 67.89 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 129.556 3.142 . . . . 0.0 112.806 174.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 18.9 p -71.26 -20.6 62.21 Favored 'General case' 0 CA--C 1.58 2.13 0 CA-C-N 120.878 1.672 . . . . 0.0 112.759 174.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -81.81 -49.17 10.69 Favored 'General case' 0 CA--C 1.615 3.444 0 CA-C-O 116.696 -1.621 . . . . 0.0 109.677 169.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -56.63 -40.78 76.01 Favored 'General case' 0 C--N 1.357 0.911 0 CA-C-N 123.191 2.723 . . . . 0.0 112.523 176.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 184' ' ' MET . . . . . . . . . . . . . 40.2 mtt -61.94 -40.41 95.41 Favored 'General case' 0 N--CA 1.533 3.719 0 O-C-N 119.13 -2.231 . . . . 0.0 110.962 176.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 185' ' ' THR . . . . . . . . . . . . . 22.9 p -86.74 -38.98 16.42 Favored 'General case' 0 CA--C 1.553 1.059 0 CA-C-N 122.859 2.572 . . . . 0.0 108.056 -172.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 186' ' ' ARG . . . . . . . . . . . . . 35.0 mtm-85 -144.2 82.74 10.57 Favored Pre-proline 0 CA--C 1.598 2.805 0 CA-C-N 119.296 0.953 . . . . 0.0 109.266 -167.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 187' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -76.95 179.53 6.42 Favored 'Trans proline' 0 CA--C 1.551 1.358 1 C-N-CA 132.471 8.78 . . . . 0.0 110.125 -160.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 188' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -177.49 -37.65 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.316 0 O-C-N 119.855 -1.778 . . . . 0.0 112.662 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -99.85 -169.63 29.83 Favored Glycine 0 C--O 1.214 -1.095 0 C-N-CA 130.514 3.911 . . . . 0.0 110.877 -166.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 17.8 p -91.06 -10.45 42.07 Favored 'General case' 0 CA--C 1.557 1.227 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 -178.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 43.0 ttm -61.52 110.23 1.41 Allowed 'General case' 0 C--O 1.276 2.447 0 O-C-N 120.416 -1.427 . . . . 0.0 107.588 164.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 44.8 p -70.39 165.72 21.85 Favored 'General case' 0 N--CA 1.504 2.248 0 C-N-CA 126.399 1.88 . . . . 0.0 113.335 160.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 193' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -63.64 -47.18 82.35 Favored 'General case' 0 N--CA 1.501 2.121 0 C-N-CA 127.762 2.425 . . . . 0.0 106.551 -178.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -48.34 -45.15 35.01 Favored 'General case' 0 CA--C 1.581 2.135 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.468 172.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 195' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -66.89 -44.18 81.54 Favored 'General case' 0 C--O 1.254 1.313 0 C-N-CA 125.854 1.662 . . . . 0.0 109.657 -178.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.02 -47.94 76.87 Favored 'General case' 0 C--O 1.189 -2.125 0 CA-C-O 123.942 1.829 . . . . 0.0 112.896 175.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 197' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -65.73 -35.15 79.92 Favored 'General case' 0 CA--C 1.484 -1.596 0 C-N-CA 126.204 1.802 . . . . 0.0 113.772 179.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -70.91 -44.84 65.4 Favored 'General case' 0 N--CA 1.499 2.024 0 CA-C-O 123.617 1.675 . . . . 0.0 111.475 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . 0.267 . . -69.98 -37.46 75.75 Favored 'General case' 0 CA--C 1.601 2.904 0 O-C-N 119.11 -2.243 . . . . 0.0 115.438 173.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 13.7 tp -67.32 -41.53 85.13 Favored 'General case' 0 CA--C 1.587 2.394 0 CA-C-N 119.077 0.853 . . . . 0.0 109.516 169.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' TYR . . . . . 0.46 ' CD2' ' HE3' ' A' ' 239' ' ' LYS . 7.6 m-30 -68.37 -29.49 68.21 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 118.049 -1.46 . . . . 0.0 111.433 -176.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -76.96 -32.39 57.25 Favored 'General case' 0 CA--C 1.596 2.716 0 O-C-N 123.866 0.729 . . . . 0.0 111.225 176.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 203' ' ' TYR . . . . . 0.407 ' CE1' HD21 ' A' ' 177' ' ' LEU . 34.2 t80 -66.53 -36.23 82.18 Favored 'General case' 0 C--N 1.287 -2.12 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 170.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 77.7 mt -72.37 -42.12 65.61 Favored 'General case' 0 CA--C 1.577 2.009 0 CA-C-O 123.003 1.382 . . . . 0.0 112.528 -179.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . . . . . . . . . 2.6 mm -58.76 -39.95 78.46 Favored Pre-proline 0 N--CA 1.501 2.123 0 N-CA-C 119.511 3.152 . . . . 0.0 119.511 -168.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 206' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -63.23 -48.57 5.99 Favored 'Trans proline' 0 C--N 1.322 -0.826 1 C-N-CA 125.848 4.365 . . . . 0.0 112.209 171.077 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 207' ' ' ILE . . . . . 0.413 HD13 HG21 ' A' ' 207' ' ' ILE . 3.2 mt -57.37 -45.3 85.33 Favored 'Isoleucine or valine' 0 C--N 1.373 1.624 0 CA-C-O 116.895 -1.526 . . . . 0.0 111.546 172.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 208' ' ' ILE . . . . . 0.404 HG21 HD13 ' A' ' 208' ' ' ILE 0.264 44.0 mt -64.15 -53.0 48.94 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 CA-C-N 121.631 2.014 . . . . 0.0 111.785 -178.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -71.47 -16.5 62.36 Favored 'General case' 0 C--N 1.296 -1.72 0 CA-C-O 118.329 -0.843 . . . . 0.0 111.642 -176.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 210' ' ' GLN . . . . . 0.4 ' OE1' ' HE3' ' A' ' 214' ' ' LYS . 4.2 tp-100 -73.45 -55.26 6.58 Favored 'General case' 0 N--CA 1.432 -1.329 0 CA-C-O 115.711 -2.09 . . . . 0.0 107.928 170.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 211' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -53.89 -36.4 62.64 Favored 'General case' 0 N--CA 1.502 2.164 0 N-CA-C 105.074 -2.195 . . . . 0.0 105.074 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 212' ' ' ARG . . . . . . . . . . . . . 12.7 mtp85 -55.49 -34.98 65.07 Favored 'General case' 0 CA--C 1.478 -1.804 0 CA-C-N 121.012 1.733 . . . . 0.0 114.92 176.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 213' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -88.02 -28.5 21.36 Favored 'General case' 0 C--O 1.159 -3.709 0 CA-C-N 124.159 3.163 . . . . 0.0 109.746 172.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 214' ' ' LYS . . . . . 0.4 ' HE3' ' OE1' ' A' ' 210' ' ' GLN . 57.8 mttt -130.31 53.45 11.76 Favored Pre-proline 0 C--O 1.272 2.26 0 O-C-N 118.402 -2.686 . . . . 0.0 110.623 -159.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 215' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -62.93 141.61 84.94 Favored 'Trans proline' 1 CA--C 1.636 5.59 0 N-CA-C 107.041 -1.946 . . . . 0.0 107.041 -170.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -133.93 -168.05 11.71 Favored Glycine 0 N--CA 1.414 -2.822 1 CA-C-O 112.594 -4.448 . . . . 0.0 116.234 163.087 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 217' ' ' THR . . . . . . . . . . . . . 69.2 p -77.9 99.07 5.85 Favored 'General case' 0 C--O 1.271 2.19 1 CA-C-N 128.654 6.227 . . . . 0.0 111.7 170.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 218' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -177.05 147.48 0.57 Allowed 'General case' 0 C--O 1.264 1.853 0 O-C-N 128.025 3.328 . . . . 0.0 108.561 173.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 219' ' ' ALA . . . . . . . . . . . . . . . -49.33 -33.57 13.62 Favored 'General case' 0 CA--C 1.598 2.81 0 O-C-N 117.146 -3.471 . . . . 0.0 115.622 -177.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 220' ' ' ILE . . . . . 0.411 ' HA ' HG12 ' A' ' 223' ' ' VAL . 31.0 mm -78.05 -35.7 20.66 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.131 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 -177.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 221' ' ' SER . . . . . . . . . . . . . 73.6 m -64.98 -32.86 74.8 Favored 'General case' 0 N--CA 1.407 -2.577 0 CA-C-O 117.603 -1.189 . . . . 0.0 113.568 167.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 222' ' ' ILE . . . . . . . . . . . . . 18.0 mm -65.75 -46.96 87.53 Favored 'Isoleucine or valine' 0 C--O 1.251 1.175 0 N-CA-C 116.18 1.919 . . . . 0.0 116.18 168.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 223' ' ' VAL . . . . . 0.452 ' O ' HD13 ' A' ' 233' ' ' ILE . 0.3 OUTLIER -72.28 -8.79 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.519 2.987 0 C-N-CA 126.348 1.859 . . . . 0.0 112.793 -179.538 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 224' ' ' ALA . . . . . . . . . . . . . . . -98.06 -11.82 22.52 Favored 'General case' 0 C--N 1.376 1.758 0 O-C-N 118.467 -2.646 . . . . 0.0 110.347 175.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 225' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -137.75 -9.24 1.62 Allowed 'General case' 0 C--O 1.262 1.73 0 N-CA-C 120.315 3.45 . . . . 0.0 120.315 -172.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . -60.59 153.14 37.26 Favored Glycine 1 CA--C 1.425 -5.59 0 CA-C-O 126.121 3.067 . . . . 0.0 113.977 -177.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 227' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -97.25 144.63 26.86 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 115.503 -2.479 . . . . 0.0 113.006 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 228' ' ' VAL . . . . . . . . . . . . . 12.1 m -147.83 118.78 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.375 1.682 0 N-CA-C 105.608 -1.997 . . . . 0.0 105.608 -173.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 48.4 t30 50.86 53.54 12.82 Favored 'General case' 0 C--N 1.398 2.702 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 -178.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 230' ' ' GLY . . . . . . . . . . . . . . . 76.77 -8.37 29.1 Favored Glycine 1 CA--C 1.578 4.029 0 CA-C-O 116.175 -2.459 . . . . 0.0 112.91 173.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 231' ' ' ARG . . . . . . . . . . . . . 55.0 ptt85 -121.02 165.61 18.36 Favored Pre-proline 1 N--CA 1.54 4.075 0 CA-C-N 120.453 2.127 . . . . 0.0 112.411 174.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 232' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -74.4 161.03 40.98 Favored 'Trans proline' 0 N--CA 1.514 2.703 0 C-N-CA 122.725 2.283 . . . . 0.0 107.539 171.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 233' ' ' ILE . . . . . 0.452 HD13 ' O ' ' A' ' 223' ' ' VAL . 20.1 tt -62.44 146.71 12.25 Favored 'Isoleucine or valine' 0 C--N 1.267 -2.998 0 C-N-CA 127.518 2.327 . . . . 0.0 112.554 160.033 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 234' ' ' THR . . . . . . . . . . . . . 62.1 p -105.69 160.62 15.07 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 119.303 3.075 . . . . 0.0 119.303 174.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 235' ' ' SER . . . . . . . . . . . . . 50.1 m -61.69 -34.83 76.45 Favored 'General case' 0 C--O 1.276 2.479 0 O-C-N 120.533 -1.354 . . . . 0.0 113.699 -171.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -71.41 -20.64 62.1 Favored 'General case' 0 C--O 1.198 -1.632 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 174.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -82.78 -47.23 12.16 Favored 'General case' 0 CA--C 1.57 1.742 0 O-C-N 119.472 -2.017 . . . . 0.0 109.429 170.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 238' ' ' ALA . . . . . . . . . . . . . . . -46.93 -50.95 18.05 Favored 'General case' 0 CA--C 1.59 2.508 0 C-N-CA 130.544 3.538 . . . . 0.0 112.269 171.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 239' ' ' LYS . . . . . 0.46 ' HE3' ' CD2' ' A' ' 201' ' ' TYR . 31.4 pttt -69.42 -28.85 66.5 Favored 'General case' 0 N--CA 1.521 3.09 1 O-C-N 129.733 4.396 . . . . 0.0 111.167 177.376 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 53.5 mtm180 -84.57 -30.42 25.05 Favored 'General case' 0 CA--C 1.576 1.971 0 CA-C-N 121.301 1.864 . . . . 0.0 109.403 -175.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 241' ' ' MET . . . . . . . . . . . . . 34.0 ttm -71.21 -55.87 7.23 Favored 'General case' 0 C--O 1.255 1.361 0 CA-C-O 126.02 2.819 . . . . 0.0 106.399 174.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 242' ' ' CYS . . . . . . . . . . . . . 7.7 m -44.33 -42.17 6.59 Favored 'General case' 0 C--N 1.388 2.264 0 N-CA-C 118.824 2.898 . . . . 0.0 118.824 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -55.51 -57.44 18.65 Favored Glycine 0 N--CA 1.397 -3.905 0 CA-C-O 118.179 -1.345 . . . . 0.0 113.698 176.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 244' ' ' LEU . . . . . . . . . . . . . 38.4 tp -58.01 -52.85 63.8 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 174.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 19.4 mt -50.31 -38.04 39.65 Favored 'General case' 0 N--CA 1.42 -1.931 1 O-C-N 114.418 -5.176 . . . . 0.0 118.017 179.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 246' ' ' LEU . . . . . . . . . . . . . 45.9 mt -79.49 -36.52 38.49 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 113.66 -1.609 . . . . 0.0 108.902 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 247' ' ' VAL . . . . . . . . . . . . . 2.7 t -61.53 -21.33 25.09 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.075 1 O-C-N 115.765 -4.334 . . . . 0.0 116.632 162.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -69.88 -82.22 0.22 Allowed Glycine 0 CA--C 1.46 -3.379 0 N-CA-C 109.189 -1.564 . . . . 0.0 109.189 161.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 249' ' ' GLY . . . . . 0.412 ' C ' HD23 ' A' ' 250' ' ' LEU . . . -57.75 -16.86 25.48 Favored Glycine 1 C--O 1.297 4.043 0 N-CA-C 119.269 2.468 . . . . 0.0 119.269 -170.396 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 250' ' ' LEU . . . . . 0.412 HD23 ' C ' ' A' ' 249' ' ' GLY . 4.1 mt -111.4 11.24 21.5 Favored 'General case' 0 N--CA 1.509 2.495 0 O-C-N 125.79 1.524 . . . . 0.0 113.029 177.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 251' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -142.39 -68.18 0.37 Allowed 'General case' 0 N--CA 1.511 2.617 0 C-N-CA 117.964 -1.494 . . . . 0.0 113.189 170.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 252' ' ' THR . . . . . . . . . . . . 0.31 69.7 p -39.28 -44.19 1.23 Allowed 'General case' 0 C--O 1.193 -1.92 0 O-C-N 116.742 -3.724 . . . . 0.0 115.183 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 253' ' ' VAL . . . . . . . . . . . . . 1.2 p -84.4 -32.8 8.26 Favored 'Isoleucine or valine' 0 N--CA 1.519 3.005 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 -173.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 254' ' ' VAL . . . . . . . . . . . . . 53.0 t -65.51 -33.39 63.34 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.485 0 CA-C-O 123.212 1.482 . . . . 0.0 112.433 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 255' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -82.37 -36.61 26.64 Favored 'General case' 0 C--O 1.269 2.083 0 CA-C-O 117.198 -1.382 . . . . 0.0 112.003 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 256' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -62.22 -42.67 99.51 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-O 113.081 -3.342 . . . . 0.0 114.036 178.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 257' ' ' LEU . . . . . . . . . . . . . 39.8 mt -51.96 -49.7 62.68 Favored 'General case' 0 C--O 1.241 0.627 1 O-C-N 129.987 4.554 . . . . 0.0 111.607 172.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 51.0 m -68.73 -44.47 73.76 Favored 'General case' 0 N--CA 1.495 1.783 1 O-C-N 115.475 -4.516 . . . . 0.0 113.961 -170.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 259' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -64.43 -31.2 72.32 Favored 'General case' 0 N--CA 1.398 -3.031 0 O-C-N 124.062 0.851 . . . . 0.0 110.513 167.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 260' ' ' SER . . . . . . . . . . . . . 75.3 m -68.37 -27.47 66.27 Favored 'General case' 0 C--O 1.26 1.626 0 CA-C-O 113.903 -2.951 . . . . 0.0 117.029 176.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 261' ' ' MET . . . . . . . . . . . . . 72.3 mmm -95.25 -23.4 17.25 Favored 'General case' 0 CA--C 1.506 -0.744 1 O-C-N 130.451 4.845 . . . . 0.0 113.737 177.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 262' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -61.3 -35.68 78.02 Favored 'General case' 0 C--N 1.382 1.981 0 CA-C-O 122.372 1.082 . . . . 0.0 111.411 169.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 263' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -60.66 -59.43 5.4 Favored 'General case' 0 C--N 1.312 -1.058 0 C-N-CA 126.49 1.916 . . . . 0.0 111.166 169.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 264' ' ' LEU . . . . . . . . . . . . . 44.2 mt -65.98 -42.11 90.25 Favored 'General case' 0 N--CA 1.532 3.672 0 CA-C-O 124.969 2.319 . . . . 0.0 110.745 -171.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 265' ' ' ALA . . . . . . . . . . . . . . . -44.99 -44.17 9.71 Favored 'General case' 0 C--N 1.372 1.566 0 O-C-N 116.555 -3.84 . . . . 0.0 113.238 175.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 266' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm -86.79 -0.11 55.79 Favored 'General case' 0 C--N 1.368 1.383 0 O-C-N 125.789 1.931 . . . . 0.0 111.416 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 267' ' ' SER . . . . . . . . . . . . 0.299 43.4 m -125.89 95.7 39.18 Favored Pre-proline 0 C--O 1.267 1.985 0 O-C-N 119.42 -2.05 . . . . 0.0 108.302 -168.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 268' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -84.27 -4.1 10.24 Favored 'Trans proline' 0 N--CA 1.441 -1.587 0 CA-C-N 120.894 1.355 . . . . 0.0 113.635 -176.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 269' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -81.4 -52.5 7.21 Favored 'General case' 0 N--CA 1.439 -1.019 0 C-N-CA 125.915 1.686 . . . . 0.0 107.936 175.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 270' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -61.83 -33.33 73.97 Favored 'General case' 0 N--CA 1.423 -1.815 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 271' ' ' ARG . . . . . . . . . . . . . 73.3 mtm-85 -63.89 -30.0 71.13 Favored 'General case' 0 CA--C 1.615 3.453 0 CA-C-N 120.357 1.435 . . . . 0.0 110.304 178.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 272' ' ' GLN . . . . . . . . . . . . . 55.4 tp60 -69.79 -49.32 53.91 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 173.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -46.37 -44.26 16.86 Favored 'General case' 0 CA--C 1.481 -1.679 0 C-N-CA 127.485 2.314 . . . . 0.0 109.603 177.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 274' ' ' LEU . . . . . . . . . . . . . 18.6 mt -73.22 -18.5 61.23 Favored 'General case' 0 N--CA 1.501 2.088 0 CA-C-O 114.821 -2.514 . . . . 0.0 114.685 -178.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 275' ' ' ILE . . . . . . . . . . . . . 29.8 pt -101.78 -20.15 5.7 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.967 0 C-N-CA 127.775 2.43 . . . . 0.0 115.823 173.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 276' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -71.01 -38.42 72.65 Favored 'General case' 0 C--O 1.191 -1.982 0 C-N-CA 115.947 -2.301 . . . . 0.0 114.014 163.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 277' ' ' ARG . . . . . . . . . . . . . 58.7 mmt-85 -131.19 64.03 72.13 Favored Pre-proline 0 CA--C 1.576 1.975 0 N-CA-C 116.538 2.051 . . . . 0.0 116.538 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 278' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -44.76 -34.48 8.4 Favored 'Trans proline' 0 N--CA 1.498 1.754 0 C-N-CA 122.329 2.019 . . . . 0.0 115.323 172.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 279' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -55.82 -50.2 71.18 Favored 'General case' 0 CA--C 1.48 -1.713 0 C-N-CA 127.734 2.413 . . . . 0.0 112.821 173.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 280' ' ' ARG . . . . . . . . . . . . . 45.3 ttm180 -63.89 -9.96 18.13 Favored 'General case' 0 C--N 1.382 1.99 0 C-N-CA 125.595 1.558 . . . . 0.0 113.795 -176.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 281' ' ' ILE . . . . . . . . . . . . . 38.2 mt -46.8 -36.84 7.75 Favored Pre-proline 1 CA--C 1.635 4.244 0 CA-C-O 114.397 -2.716 . . . . 0.0 114.552 -172.089 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 282' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -54.66 -33.54 80.04 Favored 'Trans proline' 0 C--N 1.345 0.349 0 O-C-N 125.338 2.23 . . . . 0.0 114.276 173.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 283' ' ' ALA . . . . . . . . . . . . 0.298 . . -65.04 -58.98 4.67 Favored 'General case' 0 CA--C 1.494 -1.181 0 N-CA-C 117.442 2.386 . . . . 0.0 117.442 169.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 284' ' ' ALA . . . . . . . . . . . . . . . -44.6 -52.37 8.18 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 126.01 2.068 . . . . 0.0 111.752 168.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 285' ' ' CYS . . . . . . . . . . . . . 42.6 t -54.95 -50.46 68.84 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 119.791 -1.818 . . . . 0.0 110.257 -178.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 286' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -68.48 -31.34 70.55 Favored 'General case' 0 CA--C 1.568 1.65 0 C-N-CA 123.808 0.843 . . . . 0.0 112.072 176.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 287' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -64.42 -39.66 94.27 Favored 'General case' 0 CA--C 1.58 2.117 0 O-C-N 118.922 -2.361 . . . . 0.0 109.674 167.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 288' ' ' LEU . . . . . . . . . . . . . 3.4 mt -72.1 -43.7 64.39 Favored 'General case' 0 C--N 1.315 -0.904 1 O-C-N 116.154 -4.092 . . . . 0.0 105.76 -177.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 289' ' ' LEU . . . . . . . . . . . . . 35.3 tp -49.69 -41.49 43.36 Favored 'General case' 0 C--N 1.414 3.377 0 C-N-CA 126.394 1.878 . . . . 0.0 106.4 173.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 290' ' ' ARG . . . . . 0.427 ' HB2' HG11 ' A' ' 345' ' ' VAL . 60.1 ttp85 -69.86 -58.22 4.14 Favored 'General case' 0 N--CA 1.503 2.222 0 N-CA-C 103.616 -2.735 . . . . 0.0 103.616 -177.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 291' ' ' ARG . . . . . . . . . . . . . 13.1 tpt85 -69.24 -20.31 63.94 Favored 'General case' 0 C--O 1.259 1.566 0 N-CA-C 115.648 1.721 . . . . 0.0 115.648 -163.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 292' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -124.22 58.77 1.18 Allowed 'General case' 0 C--O 1.183 -2.403 0 CA-C-O 126.674 3.13 . . . . 0.0 113.071 169.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 293' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.67 -2.8 9.99 Favored 'General case' 0 CA--C 1.611 3.322 0 O-C-N 116.604 -3.81 . . . . 0.0 119.085 -168.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . 0.303 1.9 pp 44.63 -31.01 0.0 OUTLIER 'General case' 0 CA--C 1.581 2.168 1 N-CA-C 122.469 4.248 . . . . 0.0 122.469 161.455 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 295' ' ' VAL . . . . . . . . . . . . . 60.9 t -86.27 142.35 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 CA-C-N 121.33 1.877 . . . . 0.0 115.839 178.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 296' ' ' ALA . . . . . . . . . . . . . . . -125.35 117.84 24.62 Favored 'General case' 0 C--O 1.256 1.425 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 162.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.17 146.11 39.82 Favored 'General case' 0 CA--C 1.559 1.308 0 N-CA-C 114.828 1.418 . . . . 0.0 114.828 -176.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 298' ' ' GLY . . . . . . . . . . . . . . . -99.83 54.83 0.92 Allowed Glycine 0 C--O 1.209 -1.441 1 C-N-CA 131.948 4.594 . . . . 0.0 117.322 -158.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 299' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -54.9 134.79 48.56 Favored 'General case' 0 C--O 1.192 -1.945 0 O-C-N 127.706 2.651 . . . . 0.0 110.795 -161.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 300' ' ' ILE . . . . . . . . . . . . . 32.8 mm -84.86 134.52 26.83 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.829 0 CA-C-O 126.57 3.081 . . . . 0.0 111.374 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -82.43 130.12 35.04 Favored 'General case' 0 C--O 1.286 2.977 1 O-C-N 115.798 -4.313 . . . . 0.0 108.994 175.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 302' ' ' THR . . . . . . . . . . . . . 71.4 p -83.94 -28.66 27.68 Favored 'General case' 0 N--CA 1.515 2.809 0 CA-C-O 117.705 -1.141 . . . . 0.0 110.096 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 303' ' ' SER . . . . . . . . . . . . . 78.1 p -158.64 -59.74 0.07 Allowed 'General case' 0 C--N 1.256 -3.486 0 N-CA-C 114.932 1.456 . . . . 0.0 114.932 -155.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 304' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -168.52 167.17 11.79 Favored 'General case' 0 CA--C 1.571 1.772 0 C-N-CA 128.153 2.581 . . . . 0.0 112.361 -176.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 305' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -168.74 127.43 1.09 Allowed 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 164.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -104.49 128.31 52.39 Favored 'General case' 0 CA--C 1.568 1.644 0 CA-C-O 116.17 -1.871 . . . . 0.0 112.183 173.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 307' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -149.98 142.56 24.49 Favored 'General case' 0 N--CA 1.435 -1.181 0 O-C-N 126.993 2.683 . . . . 0.0 114.53 167.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 308' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 33.0 41.72 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.876 0 CA-C-O 127.577 3.561 . . . . 0.0 120.229 -177.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 309' ' ' GLY . . . . . . . . . . . . . . . 83.64 -6.92 71.34 Favored Glycine 0 CA--C 1.566 3.251 1 C-N-CA 131.339 4.304 . . . . 0.0 117.732 -177.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 310' ' ' VAL . . . . . . . . . . . . . 33.3 t -94.53 159.86 2.78 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.275 0 O-C-N 125.393 1.29 . . . . 0.0 110.287 178.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 311' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -140.55 138.65 34.66 Favored 'General case' 0 N--CA 1.432 -1.329 0 CA-C-N 120.28 1.4 . . . . 0.0 111.38 -179.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 312' ' ' LEU . . . . . . . . . . . . 0.256 63.2 mt -96.57 163.7 12.92 Favored 'General case' 0 CA--C 1.552 1.057 0 CA-C-N 118.5 0.591 . . . . 0.0 112.224 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -116.51 157.77 24.68 Favored 'General case' 0 C--N 1.264 -3.128 0 CA-C-O 127.344 3.45 . . . . 0.0 106.576 -168.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 314' ' ' LYS . . . . . . . . . . . . . 40.4 tttp -49.41 129.66 18.99 Favored 'General case' 0 CA--C 1.625 3.861 1 O-C-N 116.103 -4.123 . . . . 0.0 110.506 159.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 315' ' ' GLY . . . . . . . . . . . . . . . 94.08 -17.05 59.59 Favored Glycine 1 CA--C 1.582 4.267 0 CA-C-O 115.907 -2.607 . . . . 0.0 110.59 176.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -73.94 -169.37 0.74 Allowed 'General case' 0 C--O 1.265 1.902 0 CA-C-N 120.104 1.952 . . . . 0.0 113.213 -179.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 317' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -165.68 159.1 16.04 Favored 'General case' 0 C--O 1.19 -2.054 0 O-C-N 118.439 -2.663 . . . . 0.0 112.065 -178.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 15.8 tt -138.97 129.27 32.57 Favored 'Isoleucine or valine' 0 C--O 1.263 1.808 0 N-CA-C 115.483 1.66 . . . . 0.0 115.483 175.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 319' ' ' LEU . . . . . . . . . . . . . 48.9 tp -73.45 129.01 37.09 Favored 'General case' 0 CA--C 1.573 1.833 0 C-N-CA 125.634 1.574 . . . . 0.0 108.751 -177.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 18.6 mt -114.07 97.07 44.18 Favored Pre-proline 0 C--O 1.289 3.151 0 O-C-N 118.757 -2.465 . . . . 0.0 105.437 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 321' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -64.17 105.05 0.54 Allowed 'Trans proline' 0 C--O 1.275 2.367 0 C-N-CA 123.385 2.723 . . . . 0.0 114.05 170.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 322' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -61.29 -34.91 75.99 Favored 'General case' 0 N--CA 1.425 -1.713 0 CA-C-O 113.885 -2.959 . . . . 0.0 111.791 170.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.02 -22.67 0.64 Allowed 'General case' 0 CA--C 1.56 1.347 0 O-C-N 127.066 2.729 . . . . 0.0 115.268 163.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . 0.414 HD11 HD12 ' A' ' 45' ' ' LEU . 94.6 mt -110.89 -20.86 12.31 Favored 'General case' 0 CA--C 1.573 1.865 0 CA-C-O 127.138 3.352 . . . . 0.0 114.277 178.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 325' ' ' SER . . . . . . . . . . . . . 4.0 t -58.36 -42.41 86.9 Favored 'General case' 0 C--O 1.301 3.773 0 O-C-N 118.263 -2.773 . . . . 0.0 111.757 158.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 326' ' ' GLY . . . . . . . . . . . . . . . -71.78 1.49 30.2 Favored Glycine 0 N--CA 1.503 3.139 0 O-C-N 119.662 -1.899 . . . . 0.0 113.258 175.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 12.2 tp -129.57 -19.55 3.37 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 119.033 -2.451 . . . . 0.0 112.847 -171.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 328' ' ' ASP . . . . . 0.519 ' HB2' ' H ' ' A' ' 68' ' ' GLY . 60.6 t0 -62.88 127.59 31.97 Favored 'General case' 0 C--N 1.283 -2.321 0 CA-C-N 123.517 2.871 . . . . 0.0 114.869 -175.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -83.29 -1.77 54.04 Favored 'General case' 0 CA--C 1.47 -2.116 0 C-N-CA 127.049 2.14 . . . . 0.0 106.359 -168.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -74.41 -28.95 61.31 Favored 'General case' 0 N--CA 1.528 3.434 0 C-N-CA 130.192 3.397 . . . . 0.0 112.269 162.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 331' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -118.06 -38.41 3.23 Favored 'General case' 0 CA--C 1.556 1.205 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 -172.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 332' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -111.9 124.79 53.12 Favored 'General case' 0 C--N 1.267 -3.011 0 CA-C-O 127.38 3.467 . . . . 0.0 105.288 -163.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 333' ' ' ALA . . . . . . . . . . . . . . . -65.89 -46.58 77.82 Favored 'General case' 0 C--O 1.26 1.632 1 O-C-N 113.725 -5.61 . . . . 0.0 114.727 -176.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 334' ' ' CYS . . . . . . . . . . . . . 1.3 m -120.53 94.09 48.66 Favored Pre-proline 0 N--CA 1.416 -2.161 0 C-N-CA 126.192 1.797 . . . . 0.0 112.82 177.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 335' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -58.53 -68.95 0.04 OUTLIER 'Trans proline' 0 CA--C 1.545 1.026 1 C-N-CA 127.609 5.539 . . . . 0.0 115.331 -171.052 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 17.6 mmt -83.57 -38.55 21.51 Favored 'General case' 0 C--O 1.161 -3.595 0 N-CA-C 118.268 2.692 . . . . 0.0 118.268 174.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 337' ' ' HIS . . . . . . . . . . . . . 33.3 t-80 -56.08 140.7 42.92 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 112.21 -2.268 . . . . 0.0 112.097 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 338' ' ' VAL . . . . . . . . . . . . 0.29 9.2 p -134.39 109.03 11.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 117.01 2.226 . . . . 0.0 117.01 -171.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 339' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -137.58 141.82 41.31 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 126.188 1.795 . . . . 0.0 108.503 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 340' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -83.67 4.43 28.6 Favored 'General case' 0 CA--C 1.571 1.772 0 O-C-N 118.432 -2.668 . . . . 0.0 109.575 -170.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 341' ' ' SER . . . . . . . . . . . . . 4.0 m -123.8 28.08 7.03 Favored 'General case' 0 N--CA 1.507 2.392 0 CA-C-N 121.724 2.056 . . . . 0.0 114.403 -169.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -91.99 150.63 20.89 Favored 'General case' 0 N--CA 1.529 3.489 0 O-C-N 126.47 2.356 . . . . 0.0 110.539 169.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -82.49 162.6 21.99 Favored 'General case' 0 C--O 1.2 -1.539 0 CA-C-O 123.49 1.614 . . . . 0.0 113.272 -175.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 344' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -37.27 135.19 0.54 Allowed 'General case' 0 CA--C 1.502 -0.895 0 O-C-N 116.93 -3.606 . . . . 0.0 116.783 -156.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 345' ' ' VAL . . . . . 0.427 HG11 ' HB2' ' A' ' 290' ' ' ARG . 14.3 m -65.32 165.26 1.63 Allowed 'Isoleucine or valine' 0 C--O 1.196 -1.738 0 N-CA-C 117.73 2.492 . . . . 0.0 117.73 173.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 346' ' ' SER . . . . . . . . . . . . . 70.7 m -118.98 -10.11 9.92 Favored 'General case' 0 CA--C 1.581 2.156 0 C-N-CA 125.5 1.52 . . . . 0.0 113.296 -163.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 347' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -77.5 -148.45 0.03 OUTLIER 'General case' 0 N--CA 1.433 -1.322 0 CA-C-O 124.885 2.279 . . . . 0.0 114.122 -170.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 348' ' ' THR . . . . . . . . . . . . . 1.7 p -138.78 2.31 2.17 Favored 'General case' 0 C--N 1.379 1.861 0 CA-C-O 115.046 -2.407 . . . . 0.0 114.181 -164.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 349' ' ' THR . . . . . . . . . . . . . 1.3 m -65.51 41.65 0.02 OUTLIER 'General case' 0 C--O 1.27 2.151 0 C-N-CA 127.573 2.349 . . . . 0.0 114.215 172.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 350' ' ' PHE . . . . . . . . . . . . . 53.3 p90 179.57 -3.21 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.736 1 C-N-CA 132.043 4.137 . . . . 0.0 118.194 -176.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 351' ' ' GLY . . . . . 0.444 ' HA3' ' HA ' ' A' ' 356' ' ' LEU . . . 112.6 176.96 19.8 Favored Glycine 0 N--CA 1.511 3.644 0 CA-C-O 126.661 3.367 . . . . 0.0 110.321 178.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 352' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -165.32 -112.19 0.01 OUTLIER 'General case' 0 C--O 1.191 -2.015 0 CA-C-O 115.751 -2.071 . . . . 0.0 108.642 -178.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . -95.04 -39.94 4.43 Favored Glycine 0 CA--C 1.47 -2.764 0 CA-C-N 123.987 3.085 . . . . 0.0 112.905 -177.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 354' ' ' SER . . . . . . . . . . . . . 70.8 p -84.22 -44.39 13.97 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 114.578 -2.629 . . . . 0.0 112.334 -166.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 355' ' ' HIS . . . . . 0.447 ' HD1' ' CGD' ' A' ' 501' ' ' HEM . 2.6 m-70 -133.2 177.72 7.46 Favored 'General case' 0 N--CA 1.382 -3.829 0 CA-C-N 120.697 1.589 . . . . 0.0 106.863 171.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 356' ' ' LEU . . . . . 0.444 ' HA ' ' HA3' ' A' ' 351' ' ' GLY . 18.8 tp -154.39 137.94 15.98 Favored 'General case' 0 C--O 1.26 1.637 0 O-C-N 119.102 -2.249 . . . . 0.0 108.842 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 357' ' ' CYS . . . . . . . . . . . . . 47.7 t -61.81 122.47 15.48 Favored 'General case' 0 C--N 1.373 1.62 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 171.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 358' ' ' LEU . . . . . . . . . . . . . 29.9 mt -79.0 -25.7 43.33 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 120.02 -1.675 . . . . 0.0 114.141 177.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 359' ' ' GLY . . . . . 0.466 ' HA3' ' C3C' ' A' ' 501' ' ' HEM . . . -120.31 -19.11 3.96 Favored Glycine 1 CA--C 1.591 4.79 0 CA-C-O 115.249 -2.973 . . . . 0.0 115.413 -161.716 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . 0.376 3.9 pt20 -47.21 -24.23 0.68 Allowed 'General case' 0 C--O 1.281 2.743 0 CA-C-N 123.896 3.848 . . . . 0.0 113.743 178.368 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 361' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -53.62 -36.61 62.19 Favored 'General case' 0 CA--C 1.489 -1.392 0 CA-C-N 122.597 2.453 . . . . 0.0 117.505 168.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 362' ' ' LEU . . . . . . . . . . . . . 17.8 mt -65.05 -57.1 9.51 Favored 'General case' 0 N--CA 1.518 2.94 0 C-N-CA 126.246 1.818 . . . . 0.0 113.229 168.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -52.75 -54.72 29.86 Favored 'General case' 0 N--CA 1.401 -2.891 0 O-C-N 124.899 1.374 . . . . 0.0 113.603 174.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 364' ' ' ARG . . . . . . . . . . . . . 28.8 mtp180 -63.87 -31.25 72.36 Favored 'General case' 0 CA--C 1.579 2.087 0 CA-C-O 112.899 -3.429 . . . . 0.0 109.514 -178.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 365' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -65.1 -50.86 64.47 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-O 114.942 -2.456 . . . . 0.0 109.711 169.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 366' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.01 -29.69 71.02 Favored 'General case' 0 CA--C 1.566 1.589 0 O-C-N 125.725 1.891 . . . . 0.0 106.54 -174.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 367' ' ' ILE . . . . . . . . . . . . . 2.0 mm -62.83 -60.23 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 CA-C-N 120.958 1.708 . . . . 0.0 110.724 168.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . 69.4 mt -57.79 -24.58 23.24 Favored 'Isoleucine or valine' 0 C--O 1.182 -2.493 0 N-CA-C 117.698 2.481 . . . . 0.0 117.698 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 369' ' ' VAL . . . . . . . . . . . . . 45.9 t -79.59 -40.88 21.72 Favored 'Isoleucine or valine' 0 C--O 1.181 -2.515 0 O-C-N 126.865 2.603 . . . . 0.0 109.776 169.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 370' ' ' THR . . . . . . . . . . . . . 51.9 m -58.43 -44.19 89.03 Favored 'General case' 0 C--O 1.205 -1.258 0 CA-C-N 122.045 2.202 . . . . 0.0 111.989 177.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 371' ' ' LEU . . . . . . . . . . . . . 10.9 mt -66.52 -1.1 3.24 Favored 'General case' 0 CA--C 1.56 1.358 0 N-CA-C 116.242 1.942 . . . . 0.0 116.242 -178.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 372' ' ' LYS . . . . . 0.404 ' O ' HG23 ' A' ' 376' ' ' THR . 35.2 mtmm -111.83 -64.0 1.35 Allowed 'General case' 0 C--N 1.286 -2.168 0 O-C-N 127.213 2.821 . . . . 0.0 109.768 171.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -70.2 -21.16 63.06 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 117.176 -1.81 . . . . 0.0 113.783 -167.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 374' ' ' TRP . . . . . . . . . . . . 0.325 8.4 t-105 -74.06 -39.44 63.49 Favored 'General case' 1 N--CA 1.55 4.566 0 O-C-N 119.362 -2.086 . . . . 0.0 113.11 168.856 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 375' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.85 -48.83 34.25 Favored 'General case' 0 CA--C 1.462 -2.43 0 C-N-CA 128.294 2.638 . . . . 0.0 115.92 -171.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 376' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 372' ' ' LYS . 34.9 p -47.48 -35.81 9.25 Favored 'General case' 1 N--CA 1.544 4.228 0 C-N-CA 128.092 2.557 . . . . 0.0 112.075 167.591 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 377' ' ' ARG . . . . . . . . . . . . . 67.1 mtt85 -95.93 -57.21 2.42 Favored 'General case' 0 CA--C 1.498 -1.025 0 N-CA-C 105.047 -2.205 . . . . 0.0 105.047 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 378' ' ' ILE . . . . . . . . . . . . . 22.0 mt -114.84 75.31 3.74 Favored Pre-proline 0 N--CA 1.517 2.884 0 O-C-N 118.274 -2.766 . . . . 0.0 110.078 -162.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -78.12 -25.23 7.47 Favored 'Trans proline' 0 C--N 1.367 1.513 0 CA-C-N 123.164 2.166 . . . . 0.0 113.863 -173.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -108.75 133.72 52.44 Favored 'General case' 0 C--O 1.273 2.323 0 CA-C-O 112.787 -3.482 . . . . 0.0 111.182 175.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 381' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -166.24 151.13 8.11 Favored 'General case' 0 C--N 1.306 -1.289 0 C-N-CA 129.427 3.091 . . . . 0.0 113.69 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 44.4 m -146.48 155.56 42.63 Favored 'General case' 0 N--CA 1.485 1.295 0 O-C-N 118.906 -2.371 . . . . 0.0 105.896 -174.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 383' ' ' ILE . . . . . . . . . . . . . 8.2 mt -68.39 140.31 19.24 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.733 0 O-C-N 120.056 -1.652 . . . . 0.0 106.894 175.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 384' ' ' ALA . . . . . . . . . . . . . . . -52.44 142.79 29.39 Favored Pre-proline 0 N--CA 1.51 2.561 0 C-N-CA 126.076 1.75 . . . . 0.0 109.786 -174.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 385' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -68.64 140.64 47.72 Favored 'Trans proline' 0 C--O 1.181 -2.358 0 C-N-CA 122.88 2.387 . . . . 0.0 112.343 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 386' ' ' GLY . . . . . . . . . . . . . . . 74.79 -12.37 6.33 Favored Glycine 0 CA--C 1.576 3.861 0 CA-C-O 116.832 -2.093 . . . . 0.0 115.632 -174.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 387' ' ' ALA . . . . . . . . . . . . . . . -67.71 159.75 29.47 Favored 'General case' 0 N--CA 1.506 2.353 0 C-N-CA 127.857 2.463 . . . . 0.0 110.905 167.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -146.25 156.79 43.63 Favored 'General case' 0 N--CA 1.442 -0.83 0 O-C-N 118.757 -2.465 . . . . 0.0 111.385 157.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 389' ' ' ILE . . . . . . . . . . . . . 15.7 mm -98.52 144.12 12.03 Favored 'Isoleucine or valine' 0 CA--C 1.593 2.61 0 CA-C-O 124.394 2.045 . . . . 0.0 108.664 -175.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -135.01 104.35 5.92 Favored 'General case' 0 C--N 1.29 -2.001 1 C-N-CA 132.494 4.318 . . . . 0.0 109.405 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 391' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -70.02 152.48 44.36 Favored 'General case' 0 C--O 1.26 1.644 0 C-N-CA 126.99 2.116 . . . . 0.0 109.097 175.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 14.9 mmmm -128.32 74.82 1.58 Allowed 'General case' 0 C--O 1.191 -2.023 0 CA-C-O 126.385 2.993 . . . . 0.0 110.858 -175.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 34.1 t -51.38 157.74 0.96 Allowed 'General case' 0 N--CA 1.509 2.5 0 CA-C-N 112.408 -2.178 . . . . 0.0 112.438 171.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . 158.38 -174.23 35.53 Favored Glycine 0 N--CA 1.504 3.197 0 N-CA-C 108.913 -1.675 . . . . 0.0 108.913 -177.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 395' ' ' ILE . . . . . . . . . . . . . 4.4 pt -55.12 -42.43 65.15 Favored 'Isoleucine or valine' 0 C--O 1.25 1.121 0 C-N-CA 124.096 0.959 . . . . 0.0 110.041 -175.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 396' ' ' VAL . . . . . . . . . . . . . 85.0 t -122.51 135.08 63.78 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.181 0 N-CA-C 104.799 -2.297 . . . . 0.0 104.799 157.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 397' ' ' SER . . . . . . . . . . . . 0.299 17.0 m -100.62 155.09 18.07 Favored 'General case' 0 C--O 1.189 -2.081 0 O-C-N 116.638 -3.789 . . . . 0.0 114.066 -168.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 398' ' ' GLY . . . . . . . . . . . . . . . -132.69 -167.42 11.74 Favored Glycine 1 CA--C 1.582 4.27 0 CA-C-O 117.262 -1.855 . . . . 0.0 115.101 177.089 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 399' ' ' VAL . . . . . . . . . . . . . 14.2 p -136.35 150.65 27.75 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.943 0 CA-C-O 123.162 1.458 . . . . 0.0 109.287 170.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 400' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -63.85 -32.08 73.48 Favored 'General case' 0 CA--C 1.569 1.676 0 CA-C-N 112.55 -2.114 . . . . 0.0 110.349 -168.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' ALA . . . . . . . . . . . . . . . 174.53 168.5 0.25 Allowed 'General case' 0 N--CA 1.423 -1.824 0 C-N-CA 131.067 3.747 . . . . 0.0 104.952 -166.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 402' ' ' LEU . . . . . . . . . . . . . 49.5 tp -150.58 81.55 6.49 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-O 124.137 1.923 . . . . 0.0 109.345 168.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 403' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -73.71 100.05 1.22 Allowed 'Trans proline' 0 C--O 1.241 0.662 1 C-N-CA 128.112 5.875 . . . . 0.0 112.465 177.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 62.4 mt -97.7 154.52 17.52 Favored 'General case' 0 C--O 1.191 -1.975 0 N-CA-C 116.913 2.19 . . . . 0.0 116.913 175.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 5.8 m -133.51 159.68 42.63 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.601 0 C-N-CA 128.299 2.64 . . . . 0.0 114.849 169.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 406' ' ' TRP . . . . . . . . . . . . . 47.7 p90 -163.21 144.58 9.62 Favored 'General case' 0 C--N 1.379 1.883 0 CA-C-O 116.558 -1.687 . . . . 0.0 110.532 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 407' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -57.67 119.9 36.93 Favored Pre-proline 0 C--O 1.257 1.491 0 C-N-CA 118.786 -1.166 . . . . 0.0 111.317 158.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -74.82 -29.83 8.15 Favored 'Trans proline' 0 CA--C 1.569 2.256 0 C-N-CA 123.077 2.518 . . . . 0.0 113.281 -171.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -66.42 -2.37 4.51 Favored 'General case' 0 CA--C 1.562 1.405 0 CA-C-O 123.791 1.758 . . . . 0.0 112.826 173.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 51.4 p -66.86 -29.59 69.54 Favored 'General case' 0 C--N 1.291 -1.96 0 O-C-N 117.35 -3.344 . . . . 0.0 111.853 171.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 411' ' ' THR . . . . . . . . . . . . . 30.9 p -83.93 165.24 18.84 Favored 'General case' 1 N--CA 1.546 4.344 0 C-N-CA 127.455 2.302 . . . . 0.0 113.506 -166.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 412' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -133.48 149.14 51.74 Favored 'General case' 0 N--CA 1.47 0.563 1 O-C-N 115.009 -4.807 . . . . 0.0 110.367 170.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -68.62 126.76 30.69 Favored 'General case' 0 C--O 1.288 3.119 0 C-N-CA 118.71 -1.196 . . . . 0.0 110.975 170.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . . . . . . . . . 52.8 t . . . . . 0 N--CA 1.42 -1.939 0 N-CA-C 103.576 -2.75 . . . . 0.0 103.576 172.935 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 501' ' ' HEM . . . . . 0.466 ' C3C' ' HA3' ' A' ' 359' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 502' ' ' CMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 503' ' ' ' K' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 601' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 603' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 604' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 608' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 609' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 610' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 611' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 612' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 613' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 614' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 615' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 616' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 617' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 618' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 619' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 620' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 621' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 622' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 623' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 624' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 625' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 626' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 627' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_