data_6mwd_residue ############################ # Computer software used # ############################ 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 6mwd _Structure_validation_residue.Date_analyzed 2018-12-14 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 ecloud orig full ' B' B 1999 ' ' SER . . . . . . . . . . . . . 37.9 t . . . . . 0 CA--C 1.524 -0.035 0 CA-C-O 120.665 0.269 . . . . 179.04 111.351 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2000 ' ' HIS . . . . . . . . . . . . . 68.6 t60 -72.81 -63.33 1.19 Allowed 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.098 0.475 . . . . 168.66 110.851 173.4 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2001 ' ' MET . . . . . . . . . . . . . . . -49.48 -31.68 10.54 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.489 -0.484 . . . . 150.06 111.372 177.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2002 ' ' TYR . . . . . . . . . . . . . 88.0 t80 -59.3 -56.27 24.17 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 120.412 -0.515 . . . . 126.41 110.958 177.15 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2003 ' ' LEU . . . . . . . . . . . . . 34.0 mt -60.47 -30.58 69.77 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 119.156 -1.018 . . . . 111.44 110.95 176.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2004 ' ' ARG . . . . . . . . . . . . . . . -64.06 -49.0 74.03 Favored 'General case' 0 N--CA 1.424 -1.77 0 C-N-CA 117.108 -1.837 . . . . 106.82 108.888 -178.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2005 ' ' ILE . . . . . . . . . . . . 0.273 2.0 pt -68.23 -39.32 80.95 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.143 0 C-N-CA 119.034 -1.066 . . . . 125.52 112.368 -178.942 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2006 ' ' THR . . . . . . . . . . . . . 18.6 m -60.32 -38.14 82.79 Favored 'General case' 0 CA--C 1.476 -1.891 0 CA-C-N 115.684 -0.689 . . . . 105.62 109.813 -177.451 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2007 ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -69.05 -31.92 71.04 Favored 'General case' 0 C--N 1.304 -1.403 0 C-N-CA 117.482 -1.687 . . . . 139.58 111.729 179.99 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2008 ' ' ILE . . . . . . . . . . . . . 35.2 mm -65.3 -61.6 1.62 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-O 121.245 0.545 . . . . 110.48 110.283 169.274 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2009 ' ' VAL . . . . . . . . . . . . . 4.6 t -54.29 -33.59 26.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 O-C-N 122.18 -0.325 . . . . 106.79 111.753 -173.876 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2010 ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -89.45 -11.6 42.59 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.923 0.712 . . . . 122.57 112.923 -179.971 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2011 ' ' SER . . . . . . . . . . . . . 83.5 p -62.35 148.93 43.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.85 0.833 . . . . 98.14 110.855 -175.133 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2012 ' ' SER . . . . . . . . . . . . . 1.2 t -54.76 -43.41 72.7 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 114.893 -1.048 . . . . 108.47 110.565 172.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2013 ' ' PHE . . . . . . . . . . . . . . . -60.23 -44.68 95.0 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 120.325 -0.55 . . . . 108.22 111.377 -175.343 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2014 ' ' PHE . . . . . . . . . . . . . 63.8 t80 -56.51 -55.55 32.34 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.105 0.478 . . . . 101.27 110.757 -176.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2015 ' ' THR . . . . . . . . . . . . . 22.0 m -55.67 -41.59 73.9 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 119.853 -0.739 . . . . 99.82 110.926 177.6 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2016 ' ' LYS . . . . . . . . . . . . . . . -63.15 -44.63 94.98 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 119.984 -0.686 . . . . 95.13 110.803 -179.08 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2017 ' ' PHE . . . . . . . . . . . . . 78.1 t80 -54.46 -53.91 47.9 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.022 0.439 . . . . 104.36 111.135 175.793 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2018 ' ' ILE . . . . . . . . . . . . . 26.9 mm -55.04 -49.05 74.85 Favored 'Isoleucine or valine' 0 C--O 1.243 0.72 0 CA-C-O 121.197 0.522 . . . . 84.26 110.253 -177.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2019 ' ' ILE . . . . . . . . . . . . . 50.8 mt -55.94 -48.24 78.84 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 CA-C-O 121.379 0.609 . . . . 84.4 110.281 177.078 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2020 ' ' TYR . . . . . . . . . . . . . 73.6 t80 -49.96 -44.76 50.83 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.359 -0.382 . . . . 144.64 110.81 176.639 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2021 ' ' LEU . . . . . . . . . . . . . 39.0 mt -64.42 -48.41 75.46 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 120.038 -0.665 . . . . 101.34 110.81 176.91 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2022 ' ' ILE . . . . . . . . . . . . . 1.8 mm -47.56 -51.49 7.19 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 CA-C-O 121.301 0.572 . . . . 105.35 109.996 178.048 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2023 ' ' VAL . . . . . . . . . . . . . 53.4 t -64.7 -46.44 92.25 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 C-N-CA 120.068 -0.653 . . . . 91.48 110.364 -178.459 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2024 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.78 -54.54 32.55 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 121.78 -0.575 . . . . 104.12 111.19 175.933 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2025 ' ' ASN . . . . . 0.519 ' OD1' ' NH1' ' B' 2105 ' ' ARG . 0.7 OUTLIER -63.18 -33.24 75.06 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 120.49 -0.484 . . . . 92.99 111.042 -177.488 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B 2026 ' ' GLY . . . . . . . . . . . . . . . -61.13 -44.36 98.24 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 119.697 -1.239 . . . . 77.63 111.848 176.331 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2027 ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.65 -47.65 90.31 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 C-N-CA 119.353 -0.939 . . . . 89.79 109.741 174.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2028 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.81 -42.66 68.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.15 -0.477 . . . . 92.85 112.151 -179.902 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2029 ' ' MET . . . . . . . . . . . . . 13.5 mtt -71.86 -31.83 66.88 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 118.685 -1.206 . . . . 103.82 111.469 -175.814 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2030 ' ' GLY . . . . . . . . . . . . . . . -60.37 -53.57 44.42 Favored Glycine 0 N--CA 1.449 -0.481 0 N-CA-C 110.849 -0.9 . . . . 80.61 110.849 168.569 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2031 ' ' LEU . . . . . . . . . . . . . 88.7 mt -56.22 -43.59 78.71 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 120.517 -0.473 . . . . 83.22 111.768 -179.373 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2032 ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -59.21 -6.94 1.03 Allowed 'General case' 0 CA--C 1.515 -0.386 0 C-N-CA 120.276 -0.57 . . . . 115.82 112.436 179.046 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2033 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.65 -21.85 51.56 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.751 -0.38 . . . . 84.07 111.285 -179.927 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2034 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.42 123.2 32.73 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 109.148 -0.686 . . . . 84.62 109.148 -179.118 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2035 ' ' LYS . . . . . . . . . . . . . . . -60.08 -43.26 95.63 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 119.72 -0.792 . . . . 87.77 110.618 173.266 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2036 ' ' THR . . . . . . . . . . . . . 16.2 m -49.26 -61.39 2.11 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.223 0.535 . . . . 111.72 110.17 172.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2037 ' ' PHE . . . . . . . . . . . . . 74.5 t80 -52.24 -42.75 63.87 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 119.339 -0.945 . . . . 97.41 111.203 -177.055 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2038 ' ' MET . . . . . . . . . . . . . 9.5 mmt -65.32 -45.94 82.27 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 119.607 -0.837 . . . . 107.25 111.474 -177.04 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2039 ' ' GLN . . . . . . . . . . . . . . . -49.6 -37.92 29.7 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.226 -0.589 . . . . 119.86 110.848 177.205 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2040 ' ' SER . . . . . . . . . . . . . 3.9 m -88.69 -49.13 7.04 Favored 'General case' 0 C--O 1.209 -1.076 0 C-N-CA 116.615 -2.034 . . . . 130.8 115.381 178.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2041 ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -113.68 19.14 17.0 Favored 'General case' 0 CA--C 1.478 -1.809 0 N-CA-C 118.528 2.788 . . . . 133.49 118.528 -175.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2042 ' ' GLY . . . . . . . . . . . . . . . -60.19 -40.09 96.8 Favored Glycine 0 C--O 1.211 -1.324 0 C-N-CA 120.031 -1.081 . . . . 113.62 113.629 -177.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2043 ' ' VAL . . . . . . . . . . . . . . . -61.05 -46.18 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.101 0 C-N-CA 119.754 -0.778 . . . . 121.87 111.281 -178.178 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2044 ' ' TYR . . . . . . . . . . . . . . . -62.74 -44.22 96.78 Favored 'General case' 0 C--O 1.21 -0.995 0 C-N-CA 119.758 -0.777 . . . . 130.92 111.067 -178.214 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2045 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -63.38 -39.22 93.93 Favored 'General case' 0 N--CA 1.432 -1.372 0 CA-C-N 115.966 -0.561 . . . . 127.46 112.495 -178.549 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2046 ' ' THR . . . . . . . . . . . . . 1.6 m -62.12 -40.12 94.83 Favored 'General case' 0 C--O 1.211 -0.946 0 C-N-CA 119.496 -0.882 . . . . 118.52 109.543 -178.564 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2047 ' ' LEU . . . . . . . . . . . . . . . -67.2 -40.74 86.5 Favored 'General case' 0 C--N 1.318 -0.795 0 O-C-N 122.042 -0.412 . . . . 134.48 110.791 176.686 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2048 ' ' PHE . . . . . . . . . . . . . 76.3 t80 -59.98 -37.92 81.06 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 119.142 -1.023 . . . . 117.64 110.537 178.294 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2049 ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -61.61 -48.49 80.69 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 119.835 -0.746 . . . . 105.85 110.722 174.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2050 ' ' GLN . . . . . . . . . . . . . . . -57.03 -44.26 82.71 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 119.678 -0.809 . . . . 117.76 110.82 178.761 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2051 ' ' ILE . . . . . . . . . . . . . 44.3 mt -59.37 -58.65 6.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 CA-C-O 121.328 0.585 . . . . 112.54 110.107 179.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2052 ' ' VAL . . . . . . . . . . . . . 36.7 t -49.96 -43.99 20.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-O 121.138 0.494 . . . . 99.66 110.583 179.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2053 ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -67.55 -34.44 68.34 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 C-N-CA 119.46 -0.896 . . . . 108.42 110.49 -176.359 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2054 ' ' THR . . . . . . . . . . . . . 62.1 m -66.45 -48.5 69.75 Favored 'General case' 0 C--O 1.237 0.425 0 O-C-N 122.043 -0.411 . . . . 114.53 110.697 175.368 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2055 ' ' ILE . . . . . . . . . . . . . 46.4 mt -56.4 -42.3 74.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 C-N-CA 120.323 -0.551 . . . . 101.41 110.142 177.785 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2056 ' ' PHE . . . . . . . . . . . . . 11.2 m-30 -66.45 -42.59 87.4 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 119.035 -1.066 . . . . 108.69 111.022 -179.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2057 ' ' THR . . . . . . . . . . . . . 63.2 m -55.61 -49.73 72.02 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 119.51 -0.876 . . . . 105.37 110.319 174.835 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2058 ' ' ILE . . . . . . . . . . . . . 30.6 mm -55.72 -43.52 73.84 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-O 121.183 0.516 . . . . 107.85 110.234 177.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2059 ' ' GLU . . . . . 0.426 ' OE2' ' NH2' ' B' 2108 ' ' ARG . 3.6 tt0 -63.4 -45.49 90.77 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.55 -0.46 . . . . 104.82 110.875 -177.481 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2060 ' ' ILE . . . . . . . . . . . . . 21.9 mm -57.93 -46.54 87.56 Favored 'Isoleucine or valine' 0 C--O 1.238 0.497 0 CA-C-O 121.542 0.687 . . . . 91.56 109.994 177.187 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2061 ' ' ILE . . . . . . . . . . . . . 74.7 mt -58.46 -48.29 85.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 CA-C-O 121.304 0.573 . . . . 97.18 110.253 -179.646 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2062 ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.06 -45.11 96.09 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 119.402 -0.919 . . . . 108.33 110.65 178.306 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2063 ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -62.88 -31.7 72.8 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 119.898 -0.721 . . . . 99.9 111.521 -177.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2064 ' ' ILE . . . . . 0.417 ' O ' ' N ' ' B' 2068 ' ' ARG . 55.4 mt -71.32 -45.11 71.5 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 C-N-CA 119.176 -1.01 . . . . 104.54 110.579 175.868 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2065 ' ' TYR . . . . . . . . . . . . . . . -58.27 -41.02 83.37 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 119.592 -0.843 . . . . 118.74 111.571 177.876 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2066 ' ' VAL . . . . . . . . . . . . . 69.1 t -71.72 -43.01 70.66 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.523 0 N-CA-C 115.61 1.707 . . . . 103.04 115.61 176.129 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2067 ' ' HIS . . . . . . . . . . . . . 42.0 m80 -92.55 -15.3 27.14 Favored 'General case' 0 CA--C 1.488 -1.437 0 N-CA-C 114.804 1.409 . . . . 101.71 114.804 -176.62 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2068 ' ' ARG . . . . . 0.417 ' N ' ' O ' ' B' 2064 ' ' ILE . . . 53.69 -134.42 1.63 Allowed 'General case' 0 C--O 1.198 -1.65 0 N-CA-C 113.33 0.863 . . . . 104.77 113.33 178.564 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2069 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -61.79 -42.76 95.72 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.44 0 C-N-CA 119.851 -0.74 . . . . 120.06 112.664 -177.15 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2070 ' ' SER . . . . . . . . . . . . . 58.8 m -43.48 -29.93 0.51 Allowed 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 112.128 0.418 . . . . 129.49 112.128 178.491 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2071 ' ' PHE . . . . . . . . . . . . . 33.3 t80 -59.21 -48.68 80.73 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 120.934 0.397 . . . . 102.06 111.275 -178.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2072 ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -80.47 0.36 33.9 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.858 0.688 . . . . 123.35 112.858 -175.833 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2073 ' ' LYS . . . . . . . . . . . . . . . -99.14 6.91 46.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 118.039 0.381 . . . . 107.41 111.45 169.971 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2074 ' ' ASP . . . . . . . . . . . . . 14.6 t70 -112.35 112.56 51.81 Favored Pre-proline 0 C--O 1.243 0.725 0 C-N-CA 123.097 0.559 . . . . 107.36 110.369 -172.853 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2075 ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -56.74 -37.26 98.27 Favored 'Trans proline' 0 C--O 1.24 0.624 0 CA-C-N 119.219 0.757 . . . . 100.89 113.484 -172.305 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2076 ' ' TRP . . . . . . . . . . . . . 32.0 m95 -66.03 -43.99 86.0 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 120.37 -0.532 . . . . 92.96 111.055 -179.091 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2077 ' ' SER . . . . . . . . . . . . . 63.5 m -67.57 -41.15 84.64 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 120.46 -0.496 . . . . 81.63 111.446 179.659 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2078 ' ' LEU . . . . . . . . . . . . . 66.3 mt -53.51 -49.33 67.8 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.236 -0.586 . . . . 102.73 110.166 172.427 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2079 ' ' PHE . . . . . . . . . . . . . 77.2 t80 -55.25 -55.4 31.84 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 119.257 -0.977 . . . . 90.59 110.355 177.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2080 ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -51.66 -40.83 60.72 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 120.168 -0.613 . . . . 114.3 110.269 178.79 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2081 ' ' PHE . . . . . . . . . . . . . 43.1 t80 -63.1 -60.75 3.01 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.319 -0.4 . . . . 98.94 110.504 179.106 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2082 ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -54.87 -40.31 69.58 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 120.174 -0.61 . . . . 135.25 111.086 -175.869 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2083 ' ' VAL . . . . . . . . . . . . . 40.3 t -73.31 -38.47 53.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 119.332 -0.947 . . . . 91.08 111.382 -174.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2084 ' ' VAL . . . . . . . . . . . . . 86.8 t -66.16 -39.52 84.57 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 C-N-CA 118.194 -1.402 . . . . 97.59 109.728 175.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2085 ' ' ALA . . . . . . . . . . . . . . . -59.49 -45.89 90.4 Favored 'General case' 0 C--O 1.238 0.455 0 O-C-N 122.107 -0.371 . . . . 96.25 111.457 -178.654 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2086 ' ' ILE . . . . . . . . . . . . . 34.4 mt -49.0 -48.91 16.26 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 CA-C-O 121.275 0.56 . . . . 104.56 110.032 174.702 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2087 ' ' SER . . . . . . . . . . . . . 73.8 m -66.11 -0.76 2.64 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 111.983 0.364 . . . . 119.24 111.983 -176.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2088 ' ' LEU . . . . . . . . . . . . . 7.2 mt -97.76 -27.43 14.33 Favored 'General case' 0 N--CA 1.428 -1.56 0 O-C-N 124.5 1.125 . . . . 113.98 112.955 -177.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2089 ' ' VAL . . . . . 0.496 ' CG1' ' CD ' ' B' 2090 ' ' PRO . 97.8 t -60.85 133.72 92.22 Favored Pre-proline 0 N--CA 1.443 -0.817 0 N-CA-C 107.364 -1.347 . . . . 154.66 107.364 -179.221 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2090 ' ' PRO . . . . . 0.496 ' CD ' ' CG1' ' B' 2089 ' ' VAL . 89.4 Cg_endo -59.12 136.94 76.29 Favored 'Trans proline' 0 CA--C 1.496 -1.405 0 C-N-CA 122.329 2.019 . . . . 147.96 113.681 -174.511 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2091 ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.446 -0.657 0 CA-C-N 112.87 -1.968 . . . . 163.57 110.035 -179.976 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2096 ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.21 -1.011 0 N-CA-C 105.406 -2.072 . . . . 145.87 105.406 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2097 ' ' ILE . . . . . . . . . . . . . . . -64.7 -35.83 75.93 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.44 0 C-N-CA 123.558 0.743 . . . . 94.02 109.471 175.873 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2098 ' ' LEU . . . . . . . . . . . . . 48.9 mt -56.84 -36.48 70.05 Favored 'General case' 0 C--O 1.201 -1.486 0 C-N-CA 123.948 0.899 . . . . 113.88 113.348 -178.653 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2099 ' ' ARG . . . . . . . . . . . . . . . -60.57 -39.34 87.64 Favored 'General case' 0 C--O 1.199 -1.565 0 CA-C-N 120.161 1.346 . . . . 88.21 110.791 177.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2100 ' ' VAL . . . . . . . . . . . . . 75.3 t -73.1 -35.2 47.29 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.922 0 O-C-N 122.054 -0.404 . . . . 72.6 111.647 176.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2101 ' ' LEU . . . . . . . . . . . . . 44.6 mt -68.09 -14.44 62.97 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 119.243 -0.983 . . . . 86.3 112.206 -179.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2102 ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -56.79 -29.25 62.51 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.262 -0.575 . . . . 126.82 111.909 174.145 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2103 ' ' VAL . . . . . . . . . . . . . 4.2 p -65.45 -20.52 27.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 118.46 -1.296 . . . . 92.78 110.65 -178.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2104 ' ' LEU . . . . . . . . . . . . . 28.4 mt -57.34 -22.58 43.19 Favored 'General case' 0 C--N 1.337 0.065 0 N-CA-C 112.036 0.384 . . . . 78.58 112.036 177.484 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2105 ' ' ARG . . . . . 0.519 ' NH1' ' OD1' ' B' 2025 ' ' ASN . 7.7 ptp85 -57.17 -20.64 27.63 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 120.194 -0.603 . . . . 110.8 112.167 175.618 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2106 ' ' LEU . . . . . . . . . . . . . 62.5 mt -70.24 -18.15 63.14 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 118.449 -1.3 . . . . 87.69 111.611 178.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2107 ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -67.14 -15.24 63.59 Favored 'General case' 0 CA--C 1.514 -0.412 0 C-N-CA 118.592 -1.243 . . . . 79.07 112.06 172.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2108 ' ' ARG . . . . . 0.426 ' NH2' ' OE2' ' B' 2059 ' ' GLU . 48.1 mtp180 -55.79 -21.9 21.72 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 119.083 -1.047 . . . . 97.87 111.457 172.657 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2109 ' ' LEU . . . . . . . . . . . . . 17.8 tp -60.8 -33.48 73.06 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 119.341 -0.944 . . . . 101.38 110.823 174.02 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2110 ' ' VAL . . . . . . . . . . . . . 49.9 t -67.76 -52.35 41.11 Favored 'Isoleucine or valine' 0 C--O 1.239 0.5 0 CA-C-O 120.89 0.376 . . . . 92.79 110.229 172.819 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2111 ' ' THR . . . . . . . . . . . . . 18.7 p -60.58 -28.27 68.34 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 119.566 -0.853 . . . . 90.98 111.915 -178.18 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2112 ' ' ALA . . . . . . . . . . . . . . . -94.63 -9.72 34.13 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 113.463 0.912 . . . . 87.04 113.463 -174.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2113 ' ' VAL . . . . . . . . . . . . . 91.6 t -110.51 119.17 47.3 Favored Pre-proline 0 C--O 1.25 1.113 0 CA-C-N 119.605 1.093 . . . . 102.34 108.552 -178.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2114 ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -57.83 -38.22 93.48 Favored 'Trans proline' 0 CA--C 1.485 -1.933 0 C-N-CA 121.319 1.346 . . . . 101.51 112.89 -174.73 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2115 ' ' GLN . . . . . 0.455 ' N ' ' NE2' ' B' 2115 ' ' GLN . 0.0 OUTLIER -63.73 -40.91 97.91 Favored 'General case' 0 C--O 1.208 -1.126 0 C-N-CA 118.947 -1.101 . . . . 124.16 110.467 178.603 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B 2116 ' ' MET . . . . . . . . . . . . . 12.4 mmt -63.28 -48.66 77.22 Favored 'General case' 0 C--O 1.198 -1.657 0 C-N-CA 119.976 -0.69 . . . . 129.79 111.243 178.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2117 ' ' ARG . . . . . . . . . . . . . 33.9 mtt180 -45.56 -50.51 12.98 Favored 'General case' 0 C--N 1.318 -0.774 0 O-C-N 121.599 -0.688 . . . . 144.01 110.444 175.953 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2118 ' ' LYS . . . . . . . . . . . . . . . -61.54 -45.3 94.74 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 116.125 -0.489 . . . . 90.02 110.976 -172.368 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2119 ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -55.61 -54.07 29.86 Favored 'Isoleucine or valine' 0 C--O 1.238 0.479 0 CA-C-O 121.706 0.765 . . . . 105.24 110.24 174.498 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2120 ' ' VAL . . . . . . . . . . . . . 74.2 t -61.42 -42.33 93.36 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.391 0 C-N-CA 119.8 -0.76 . . . . 78.52 110.043 -174.956 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2121 ' ' SER . . . . . . . . . . . . . 57.9 m -60.83 -46.91 88.7 Favored 'General case' 0 CA--C 1.511 -0.553 0 C-N-CA 120.288 -0.565 . . . . 95.95 110.958 176.367 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2122 ' ' ALA . . . . . . . . . . . . . . . -57.79 -51.34 69.96 Favored 'General case' 0 CA--C 1.506 -0.748 0 C-N-CA 119.18 -1.008 . . . . 80.68 109.702 178.271 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2123 ' ' LEU . . . . . . . . . . . . . 87.5 mt -56.54 -48.75 76.61 Favored 'General case' 0 C--O 1.237 0.437 0 O-C-N 120.745 -1.222 . . . . 81.44 111.235 -177.322 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2124 ' ' ILE . . . . . . . . . . . . . 22.1 mt -64.58 -29.49 47.51 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 O-C-N 122.28 -0.262 . . . . 109.54 111.237 -178.493 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2125 ' ' SER . . . . . . . . . . . . . 86.1 p -65.49 -24.19 67.08 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.296 -0.562 . . . . 84.68 112.167 -168.095 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2126 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.45 -14.36 16.56 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 C-N-CA 119.799 -0.76 . . . . 102.72 111.752 177.66 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2127 ' ' ILE . . . . . . . . . . . . . 12.4 mt -70.97 -44.49 14.5 Favored Pre-proline 0 C--O 1.238 0.477 0 N-CA-C 112.305 0.483 . . . . 86.84 112.305 -168.112 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2128 ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -49.2 -42.16 40.29 Favored 'Trans proline' 0 N--CA 1.475 0.4 0 CA-C-N 120.386 1.174 . . . . 94.41 113.924 -177.5 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2129 ' ' GLY . . . . . . . . . . . . . . . -74.89 -13.31 82.59 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 114.917 0.727 . . . . 104.76 114.917 179.29 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2130 ' ' MET . . . . . . . . . . . . . 31.2 mtp -88.57 -8.87 54.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 117.868 0.834 . . . . 95.7 112.811 179.493 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2131 ' ' LEU . . . . . . . . . . . . . 66.7 mt -61.28 -36.27 79.59 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 112.266 0.469 . . . . 110.15 112.266 -166.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2132 ' ' SER . . . . . . . . . . . . . 53.7 p -76.07 -33.98 59.56 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 116.881 -1.928 . . . . 102.06 111.117 -176.823 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2133 ' ' VAL . . . . . . . . . . . . . 61.0 t -64.72 -38.98 84.07 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 CA-C-O 121.221 0.534 . . . . 91.97 110.3 172.454 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2134 ' ' ILE . . . . . . . . . . . . . 77.4 mt -63.64 -46.97 93.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-O 121.301 0.572 . . . . 85.7 110.01 175.235 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2135 ' ' ALA . . . . . . . . . . . . . . . -54.8 -48.09 73.18 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 121.944 -0.472 . . . . 75.56 111.088 174.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2136 ' ' LEU . . . . . . . . . . . . . 42.5 tp -56.0 -50.24 71.4 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.301 0.572 . . . . 101.14 111.279 177.862 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2137 ' ' MET . . . . . . . . . . . . . 41.4 mmm -64.06 -41.29 97.42 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 120.027 -0.669 . . . . 107.76 110.792 -178.032 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2138 ' ' THR . . . . . . . . . . . . . 91.2 m -60.09 -44.99 94.39 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 121.005 0.431 . . . . 77.71 110.489 178.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2139 ' ' LEU . . . . . . . . . . . . . 67.2 tp -58.59 -42.0 87.04 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 119.532 -0.867 . . . . 74.02 110.156 173.042 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2140 ' ' PHE . . . . . . . . . . . . . 84.1 t80 -61.14 -48.21 82.67 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 120.915 0.388 . . . . 66.53 110.486 -177.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2141 ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -58.83 -42.42 89.23 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.704 -0.399 . . . . 70.7 110.726 175.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2142 ' ' TYR . . . . . . . . . . . . . 77.0 t80 -60.16 -45.32 93.48 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 120.626 -0.43 . . . . 78.31 110.608 -174.623 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2143 ' ' ILE . . . . . . . . . . . . . 43.2 mt -65.82 -44.76 92.81 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.713 0 CA-C-N 115.208 -0.906 . . . . 69.41 112.646 179.281 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2144 ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -67.07 -37.43 84.0 Favored 'General case' 0 C--O 1.195 -1.777 0 C-N-CA 120.463 -0.495 . . . . 78.0 111.71 178.302 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2145 ' ' ALA . . . . . . . . . . . . . . . -61.96 -43.39 98.94 Favored 'General case' 0 C--O 1.19 -2.036 0 CA-C-O 119.166 -0.445 . . . . 65.87 110.161 178.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2146 ' ' ILE . . . . . . . . . . . . . 67.8 mt -63.47 -45.59 97.46 Favored 'Isoleucine or valine' 0 C--O 1.179 -2.634 0 C-N-CA 120.097 -0.641 . . . . 69.47 110.531 178.507 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2147 ' ' MET . . . . . . . . . . . . . 37.4 mtp -62.67 -37.75 87.65 Favored 'General case' 0 C--N 1.308 -1.207 0 C-N-CA 119.242 -0.983 . . . . 81.27 111.417 178.444 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2148 ' ' ALA . . . . . . . . . . . . . . . -71.13 -35.64 71.8 Favored 'General case' 0 C--O 1.239 0.545 0 C-N-CA 119.204 -0.998 . . . . 68.88 110.16 -175.13 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2149 ' ' THR . . . . . . . . . . . . . 96.4 m -60.82 -45.03 96.04 Favored 'General case' 0 CA--C 1.514 -0.44 0 C-N-CA 120.391 -0.523 . . . . 66.89 110.425 176.235 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2150 ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -70.43 -37.3 74.37 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 116.479 -0.328 . . . . 99.23 111.443 -179.057 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2151 ' ' LEU . . . . . . . . . . . . . 60.2 mt -77.83 -36.66 49.84 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 118.759 -1.176 . . . . 68.76 111.543 -175.24 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2152 ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -126.28 -7.64 6.44 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 114.366 1.247 . . . . 61.27 114.366 -165.526 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2153 ' ' GLY . . . . . . . . . . . . . . . -70.71 -29.58 69.37 Favored Glycine 0 C--N 1.337 0.609 0 C-N-CA 119.944 -1.122 . . . . 64.33 112.964 -168.534 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2154 ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -67.47 -45.52 75.71 Favored 'General case' 0 C--O 1.242 0.705 0 CA-C-O 121.224 0.535 . . . . 141.52 110.978 -178.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2155 ' ' ARG . . . . . 0.43 ' NH2' ' C3 ' ' B' 2303 ' ' PX4 . 8.9 mmt180 -89.79 -18.88 25.46 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 114.248 1.203 . . . . 100.08 114.248 -177.255 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2156 ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -132.58 61.84 59.26 Favored Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 109.43 -0.581 . . . . 60.16 109.43 -179.358 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2157 ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -59.75 -35.49 94.35 Favored 'Trans proline' 0 N--CA 1.475 0.404 0 N-CA-C 114.659 0.984 . . . . 65.34 114.659 -173.255 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2158 ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -61.6 -40.24 94.11 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 118.861 -1.135 . . . . 84.57 110.619 -178.023 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2159 ' ' TRP . . . . . . . . . . . . . 31.3 m0 -89.79 -27.98 19.63 Favored 'General case' 0 C--O 1.24 0.603 0 N-CA-C 113.205 0.817 . . . . 64.16 113.205 -176.725 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2160 ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -143.08 14.79 1.88 Allowed 'General case' 0 C--O 1.237 0.427 0 C-N-CA 118.733 -1.187 . . . . 56.27 113.145 -172.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2161 ' ' GLY . . . . . . . . . . . . . . . -68.85 -15.64 69.34 Favored Glycine 0 C--N 1.337 0.601 0 C-N-CA 118.3 -1.905 . . . . 75.6 113.766 -172.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2162 ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -145.41 145.93 31.33 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 106.846 -1.539 . . . . 83.32 106.846 -169.596 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2163 ' ' LEU . . . . . 0.486 ' N ' ' O ' ' B' 2404 ' ' HOH . 21.9 tp -47.15 -42.5 19.65 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.293 -0.563 . . . . 73.79 111.504 177.747 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2164 ' ' GLY . . . . . . . . . . . . . . . -68.13 -40.86 87.97 Favored Glycine 0 C--N 1.332 0.326 0 C-N-CA 119.702 -1.237 . . . . 63.23 113.098 -178.559 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2165 ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -62.72 -43.23 99.33 Favored 'General case' 0 C--O 1.236 0.357 0 O-C-N 122.079 -0.66 . . . . 106.71 111.232 174.793 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2166 ' ' SER . . . . . . . . . . . . . 55.1 m -60.18 -41.4 92.8 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 120.222 -0.591 . . . . 63.65 110.971 175.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2167 ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -57.3 -49.98 74.37 Favored 'General case' 0 CA--C 1.508 -0.664 0 C-N-CA 119.551 -0.859 . . . . 75.78 109.55 176.651 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2168 ' ' TYR . . . . . . . . . . . . . 72.4 t80 -56.48 -52.04 66.21 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-N 115.562 -0.744 . . . . 57.55 110.492 -179.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2169 ' ' THR . . . . . . . . . . . . . 89.5 m -61.04 -43.67 98.55 Favored 'General case' 0 C--O 1.244 0.8 0 C-N-CA 119.455 -0.898 . . . . 58.38 110.534 -176.587 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2170 ' ' LEU . . . . . . . . . . . . . 33.0 mt -59.58 -39.11 83.04 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 119.709 -0.796 . . . . 61.9 111.478 177.75 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2171 ' ' PHE . . . . . . . . . . . . . 82.4 t80 -61.61 -38.22 86.8 Favored 'General case' 0 CA--C 1.511 -0.554 0 C-N-CA 117.097 -1.841 . . . . 64.97 110.492 174.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2172 ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -64.45 -42.21 96.08 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 119.712 -0.795 . . . . 58.32 110.155 179.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2173 ' ' VAL . . . . . . . . . . . . . 94.7 t -60.02 -40.34 82.86 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.632 0 CA-C-N 116.501 -0.318 . . . . 58.8 110.336 177.165 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2174 ' ' MET . . . . . . . . . . . . . 51.3 ttp -62.97 -38.82 92.66 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 119.308 -0.957 . . . . 71.2 111.656 179.839 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2175 ' ' THR . . . . . . . . . . . . . 28.8 p -75.82 -1.82 27.03 Favored 'General case' 0 CA--C 1.51 -0.564 0 C-N-CA 115.388 -2.525 . . . . 66.63 111.526 176.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2176 ' ' LEU . . . . . . . . . . . . . 84.4 mt 73.07 14.35 4.69 Favored 'General case' 0 C--O 1.239 0.5 0 C-N-CA 123.282 0.633 . . . . 59.37 111.915 176.188 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2177 ' ' GLU . . . . . 0.644 ' OE1' ' OG ' ' B' 2178 ' ' SER . 0.7 OUTLIER -79.07 111.84 15.68 Favored 'General case' 0 C--O 1.24 0.597 0 N-CA-C 109.772 -0.455 . . . . 73.38 109.772 -175.389 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B 2178 ' ' SER . . . . . 0.644 ' OG ' ' OE1' ' B' 2177 ' ' GLU . 6.7 m 51.66 27.77 4.28 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 122.652 0.381 . . . . 64.2 111.849 178.371 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2179 ' ' TRP . . . . . . . . . . . . . 42.6 p-90 -62.45 -34.13 76.19 Favored 'General case' 0 C--O 1.24 0.592 0 C-N-CA 118.332 -1.347 . . . . 55.39 111.289 -172.418 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2180 ' ' SER . . . . . . . . . . . . . 38.4 t -92.13 -60.42 1.85 Allowed 'General case' 0 C--O 1.235 0.316 0 C-N-CA 119.176 -1.01 . . . . 53.33 112.673 -177.164 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2181 ' ' MET . . . . . . . . . . . . . 78.2 mmm -64.03 -31.76 73.07 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 118.682 -1.207 . . . . 63.22 110.563 -178.293 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2182 ' ' GLY . . . . . . . . . . . . . . . -92.17 -27.62 15.44 Favored Glycine 0 N--CA 1.441 -0.977 0 C-N-CA 118.492 -1.813 . . . . 65.31 113.784 -173.023 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2183 ' ' ILE . . . . . . . . . . . . . 1.7 mp -124.47 -57.41 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-N 119.141 1.471 . . . . 73.28 111.734 -173.096 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2184 ' ' VAL . . . . . . . . . . . . . 59.3 t -77.24 -39.63 28.71 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 C-N-CA 118.739 -1.185 . . . . 58.53 110.841 -165.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2185 ' ' ARG . . . . . . . . . . . . . 83.5 mtt-85 -61.41 -45.54 94.54 Favored Pre-proline 0 C--O 1.253 1.263 0 C-N-CA 117.613 -1.635 . . . . 58.52 111.495 175.436 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2186 ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -59.23 -43.09 44.1 Favored 'Trans proline' 0 N--CA 1.48 0.724 0 CA-C-N 121.602 1.608 . . . . 60.35 111.37 174.076 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2187 ' ' LEU . . . . . . . . . . . . . 1.1 mp -57.1 -41.63 79.29 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 120.995 -1.065 . . . . 61.78 111.303 176.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2188 ' ' MET . . . . . . . . . . . . . 68.0 mtm -68.56 -17.76 64.2 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 119.964 -0.694 . . . . 73.49 112.597 -174.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2189 ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -67.24 -21.44 65.73 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 120.319 -0.552 . . . . 113.87 111.79 175.567 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2190 ' ' VAL . . . . . . . . . . . . . 73.7 t -109.67 -32.23 2.35 Favored 'Isoleucine or valine' 0 C--O 1.243 0.736 0 CA-C-O 119.046 -0.502 . . . . 66.54 111.53 173.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2191 ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -125.69 84.62 60.28 Favored Pre-proline 0 C--N 1.321 -0.637 0 N-CA-C 106.785 -1.561 . . . . 68.7 106.785 -173.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2192 ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -51.68 -28.84 31.08 Favored 'Trans proline' 0 CA--C 1.505 -0.946 0 C-N-CA 120.398 0.732 . . . . 67.28 113.033 -173.539 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2193 ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -92.56 13.6 19.35 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 113.217 0.821 . . . . 98.06 113.217 179.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2194 ' ' ALA . . . . . . . . . . . . . . . -52.04 -30.56 26.06 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 117.392 -1.723 . . . . 67.42 111.124 175.9 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2195 ' ' TRP . . . . . . . . . . . . . 65.6 p-90 -63.57 -24.87 67.99 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 119.623 -0.831 . . . . 67.55 111.672 -176.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2196 ' ' VAL . . . . . . . . . . . . . 97.8 t -70.5 -17.13 20.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-N 118.593 0.633 . . . . 80.76 110.998 -178.064 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2197 ' ' PHE . . . . . . . . . . . . . 56.1 t80 -91.44 -44.41 9.14 Favored 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 123.727 0.811 . . . . 70.59 110.467 179.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2198 ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -90.08 -27.36 19.72 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 114.535 1.309 . . . . 69.29 114.535 -170.241 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2199 ' ' ILE . . . . . . . . . . . . . 2.1 mm -67.71 -58.69 7.87 Favored Pre-proline 0 C--O 1.24 0.578 0 N-CA-C 105.587 -2.005 . . . . 80.18 105.587 178.683 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2200 ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -52.24 -46.41 32.94 Favored 'Trans proline' 0 CA--C 1.51 -0.707 0 CA-C-N 119.083 0.708 . . . . 72.82 112.194 179.255 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2201 ' ' PHE . . . . . . . . . . . . . 76.0 t80 -50.54 -46.05 57.18 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 120.062 -0.655 . . . . 66.98 110.993 172.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2202 ' ' ILE . . . . . . . . . . . . . 55.2 mt -66.16 -33.28 62.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 C-N-CA 117.641 -1.624 . . . . 65.84 110.421 -179.079 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2203 ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -67.25 -51.03 58.07 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 119.934 -0.706 . . . . 90.3 109.793 -177.197 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2204 ' ' VAL . . . . . . . . . . . . . 53.9 t -53.98 -53.98 23.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 CA-C-O 122.016 0.912 . . . . 72.18 110.057 -179.608 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2205 ' ' VAL . . . . . . . . . . . . . 2.1 t -65.89 -42.1 91.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 C-N-CA 119.242 -0.983 . . . . 82.59 110.806 -166.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2206 ' ' SER . . . . . . . . . . . . . 20.2 m -65.65 -45.5 82.74 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 121.989 -0.444 . . . . 66.15 111.064 179.878 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2207 ' ' PHE . . . . . . . . . . . . . 83.2 t80 -60.05 -40.27 88.84 Favored 'General case' 0 N--CA 1.442 -0.836 0 O-C-N 122.27 -0.269 . . . . 86.69 110.729 177.564 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2208 ' ' VAL . . . . . . . . . . . . . 39.1 t -65.82 -40.86 88.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 120.896 0.379 . . . . 72.96 110.504 177.297 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2209 ' ' MET . . . . . . . . . . . . . 23.0 mmt -62.32 -46.57 88.13 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 119.264 -0.974 . . . . 123.99 110.865 179.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2210 ' ' ILE . . . . . . . . . . . . . 82.8 mt -65.67 -45.63 91.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 C-N-CA 120.234 -0.586 . . . . 81.52 110.489 -177.354 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2211 ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -62.0 -32.14 72.58 Favored 'General case' 0 N--CA 1.445 -0.686 0 O-C-N 122.287 -0.258 . . . . 102.27 111.231 179.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2212 ' ' LEU . . . . . . . . . . . . . 1.7 tp -64.57 -43.7 93.05 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 119.993 -0.683 . . . . 95.2 110.951 176.101 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2213 ' ' VAL . . . . . . . . . . . . . 87.4 t -64.45 -42.33 94.94 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 C-N-CA 120.409 -0.516 . . . . 82.62 110.679 175.519 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2214 ' ' VAL . . . . . . . . . . . . . 37.9 t -64.02 -44.05 97.73 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.288 0 O-C-N 121.834 -0.541 . . . . 89.17 110.178 -175.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2215 ' ' ALA . . . . . . . . . . . . . . . -69.94 -26.13 63.98 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 111.818 0.303 . . . . 91.8 111.818 -176.028 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2216 ' ' ILE . . . . . . . . . . . . . 74.0 mt -67.79 -53.65 29.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 C-N-CA 120.102 -0.639 . . . . 96.56 110.103 174.164 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2217 ' ' ILE . . . . . . . . . . . . . 54.4 mt -57.53 -49.52 80.14 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 C-N-CA 119.971 -0.691 . . . . 91.11 110.358 -179.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2218 ' ' VAL . . . . . . . . . . . . . 91.5 t -75.14 -39.3 43.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 C-N-CA 119.162 -1.015 . . . . 101.85 111.2 -168.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2219 ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -68.93 -29.05 67.22 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 118.23 -1.388 . . . . 106.23 111.272 175.145 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2220 ' ' ALA . . . . . . . . . . . . . . . -59.67 -54.48 45.92 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 119.484 -0.886 . . . . 96.26 110.295 171.646 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2221 ' ' MET . . . . . . . . . . . . . 2.8 mmt -62.26 -33.51 74.75 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 121.986 -0.446 . . . . 131.09 111.788 -176.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2222 ' ' ALA . . . . . . . . . . . . . . . -61.34 -40.86 95.81 Favored 'General case' 0 C--O 1.242 0.703 0 C-N-CA 120.118 -0.633 . . . . 120.1 110.671 177.35 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2223 ' ' ILE . . . . . . . . . . . . . 57.2 mt -65.62 -46.33 89.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 C-N-CA 120.803 -0.359 . . . . 132.61 110.403 175.179 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2224 ' ' LEU . . . . . . . . . . . . . 88.4 mt -55.46 -37.72 68.14 Favored 'General case' 0 C--O 1.241 0.64 0 C-N-CA 119.267 -0.973 . . . . 124.65 111.052 173.787 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2225 ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -67.75 -40.18 84.14 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 119.478 -0.889 . . . . 134.38 111.806 178.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2226 ' ' GLN . . . . . . . . . . . . . . . -64.9 -43.2 93.65 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 113.162 0.801 . . . . 131.62 113.162 -179.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2227 ' ' LYS . . . . . . . . . . . . . . . -63.47 -41.28 98.61 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-O 121.336 0.588 . . . . 157.08 110.412 -179.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2228 ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -63.28 -42.62 99.11 Favored 'General case' 0 C--O 1.204 -1.31 0 CA-C-N 116.003 -0.544 . . . . 163.08 109.878 178.779 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2229 ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -60.16 -47.97 83.67 Favored 'General case' 0 N--CA 1.431 -1.401 0 CA-C-N 116.141 -0.481 . . . . 157.42 110.198 -177.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2230 ' ' GLN . . . . . . . . . . . . . . . -60.22 -41.64 93.49 Favored 'General case' 0 N--CA 1.436 -1.146 0 C-N-CA 119.632 -0.827 . . . . 160.84 109.963 -179.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2231 ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -61.99 -45.99 91.21 Favored 'General case' 0 C--O 1.212 -0.905 0 C-N-CA 119.434 -0.906 . . . . 172.87 110.081 -178.767 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2232 ' ' ILE . . . . . . . . . . . . . 6.2 mt -65.85 -39.97 86.25 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.263 0 C-N-CA 120.137 -0.625 . . . . 165.37 111.318 -179.537 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2233 ' ' ILE . . . . . . . . . . . . . . . -62.76 -38.12 80.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 C-N-CA 120.127 -0.629 . . . . 190.96 112.089 -179.126 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2234 ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -60.79 -45.1 95.71 Favored 'General case' 0 CA--C 1.495 -1.165 0 C-N-CA 119.726 -0.79 . . . . 203.48 111.216 -178.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2235 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.3 -43.58 97.45 Favored 'General case' 0 C--O 1.212 -0.871 0 C-N-CA 119.189 -1.005 . . . . 208.29 109.224 -179.42 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2236 ' ' VAL . . . . . . . . . . . . . . . -62.24 -41.57 91.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 O-C-N 121.733 -0.605 . . . . 194.09 109.557 178.473 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2237 ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -62.51 -42.29 99.41 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 109.416 -0.587 . . . . 197.59 109.416 177.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2238 ' ' SER . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.902 0 N-CA-C 108.96 -0.756 . . . . 207.17 108.96 178.368 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2301 ' ' PX4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2302 ' ' PX4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2303 ' ' PX4 . . . . . 0.469 ' O8 ' ' C8 ' ' B' 2303 ' ' PX4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2304 ' ' PX4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2305 ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2306 ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2307 ' ' CPS . . . . . 0.667 H14A ' HO3' ' B' 2307 ' ' CPS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2308 ' ' CPS . . . . . 0.602 ' H10' ' H22' ' B' 2308 ' ' CPS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2309 ' ' CPS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2401 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2402 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2403 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2404 ' ' HOH . . . . . 0.486 ' O ' ' N ' ' B' 2163 ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2405 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2406 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2407 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2408 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2409 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2410 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2411 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2412 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2413 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2414 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2415 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2416 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2417 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2418 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2419 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2420 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2421 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2422 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2423 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2424 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2425 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2426 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2427 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2428 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1999 ' ' SER . . . . . . . . . . . . . 37.9 t . . . . . 0 CA--C 1.524 -0.035 0 CA-C-O 120.665 0.269 . . . . 179.04 111.351 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2000 ' ' HIS . . . . . . . . . . . . . 68.6 t60 -72.81 -63.33 1.19 Allowed 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.098 0.475 . . . . 168.66 110.851 173.4 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2001 ' ' MET . . . . . . . . . . . . . . . -49.48 -31.68 10.54 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.489 -0.484 . . . . 150.06 111.372 177.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2002 ' ' TYR . . . . . . . . . . . . . 88.0 t80 -59.3 -56.27 24.17 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 120.412 -0.515 . . . . 126.41 110.958 177.15 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2003 ' ' LEU . . . . . . . . . . . . . 34.0 mt -60.47 -30.58 69.77 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 119.156 -1.018 . . . . 111.44 110.95 176.632 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2004 ' ' ARG . . . . . . . . . . . . . . . -64.06 -49.0 74.03 Favored 'General case' 0 N--CA 1.424 -1.77 0 C-N-CA 117.108 -1.837 . . . . 106.82 108.888 -178.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2005 ' ' ILE . . . . . . . . . . . . 0.273 2.0 pt -68.23 -39.32 80.95 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.143 0 C-N-CA 119.034 -1.066 . . . . 125.52 112.368 -178.942 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2006 ' ' THR . . . . . . . . . . . . . 18.6 m -60.32 -38.14 82.79 Favored 'General case' 0 CA--C 1.476 -1.891 0 CA-C-N 115.684 -0.689 . . . . 105.62 109.813 -177.451 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2007 ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -69.05 -31.92 71.04 Favored 'General case' 0 C--N 1.304 -1.403 0 C-N-CA 117.482 -1.687 . . . . 139.58 111.729 179.99 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2008 ' ' ILE . . . . . . . . . . . . . 35.2 mm -65.3 -61.6 1.62 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-O 121.245 0.545 . . . . 110.48 110.283 169.274 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2009 ' ' VAL . . . . . . . . . . . . . 4.6 t -54.29 -33.59 26.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 O-C-N 122.18 -0.325 . . . . 106.79 111.753 -173.876 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2010 ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -89.45 -11.6 42.59 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.923 0.712 . . . . 122.57 112.923 -179.971 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2011 ' ' SER . . . . . . . . . . . . . 83.5 p -62.35 148.93 43.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.85 0.833 . . . . 98.14 110.855 -175.133 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2012 ' ' SER . . . . . . . . . . . . . 1.2 t -54.76 -43.41 72.7 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 114.893 -1.048 . . . . 108.47 110.565 172.069 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2013 ' ' PHE . . . . . . . . . . . . . . . -60.23 -44.68 95.0 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 120.325 -0.55 . . . . 108.22 111.377 -175.343 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2014 ' ' PHE . . . . . 0.512 ' CZ ' ' HG3' ' B' 2059 ' ' GLU . 63.8 t80 -56.51 -55.55 32.34 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.105 0.478 . . . . 101.27 110.757 -176.798 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2015 ' ' THR . . . . . . . . . . . . . 22.0 m -55.67 -41.59 73.9 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 119.853 -0.739 . . . . 99.82 110.926 177.6 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2016 ' ' LYS . . . . . . . . . . . . . . . -63.15 -44.63 94.98 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 119.984 -0.686 . . . . 95.13 110.803 -179.08 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2017 ' ' PHE . . . . . . . . . . . . . 78.1 t80 -54.46 -53.91 47.9 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.022 0.439 . . . . 104.36 111.135 175.793 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2018 ' ' ILE . . . . . 0.486 ' O ' HG12 ' B' 2022 ' ' ILE . 26.9 mm -55.04 -49.05 74.85 Favored 'Isoleucine or valine' 0 C--O 1.243 0.72 0 CA-C-O 121.197 0.522 . . . . 84.26 110.253 -177.225 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2019 ' ' ILE . . . . . . . . . . . . . 50.8 mt -55.94 -48.24 78.84 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 CA-C-O 121.379 0.609 . . . . 84.4 110.281 177.078 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2020 ' ' TYR . . . . . . . . . . . . . 73.6 t80 -49.96 -44.76 50.83 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.359 -0.382 . . . . 144.64 110.81 176.639 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2021 ' ' LEU . . . . . . . . . . . . . 39.0 mt -64.42 -48.41 75.46 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 120.038 -0.665 . . . . 101.34 110.81 176.91 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2022 ' ' ILE . . . . . 0.521 HD12 ' HB2' ' B' 2108 ' ' ARG . 1.8 mm -47.56 -51.49 7.19 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 CA-C-O 121.301 0.572 . . . . 105.35 109.996 178.048 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2023 ' ' VAL . . . . . . . . . . . . . 53.4 t -64.7 -46.44 92.25 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 C-N-CA 120.068 -0.653 . . . . 91.48 110.364 -178.459 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2024 ' ' LEU . . . . . 0.45 HD12 ' HA ' ' B' 2024 ' ' LEU . 0.2 OUTLIER -52.78 -54.54 32.55 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 121.78 -0.575 . . . . 104.12 111.19 175.933 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B 2025 ' ' ASN . . . . . 0.514 ' OD1' ' NH1' ' B' 2105 ' ' ARG . 0.7 OUTLIER -63.18 -33.24 75.06 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 120.49 -0.484 . . . . 92.99 111.042 -177.488 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B 2026 ' ' GLY . . . . . . . . . . . . . . . -61.13 -44.36 98.24 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 119.697 -1.239 . . . . 77.63 111.848 176.331 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2027 ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.65 -47.65 90.31 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 C-N-CA 119.353 -0.939 . . . . 89.79 109.741 174.494 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2028 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.81 -42.66 68.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.15 -0.477 . . . . 92.85 112.151 -179.902 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2029 ' ' MET . . . . . . . . . . . . . 13.5 mtt -71.86 -31.83 66.88 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 118.685 -1.206 . . . . 103.82 111.469 -175.814 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2030 ' ' GLY . . . . . 0.679 ' O ' ' HB ' ' B' 2033 ' ' THR . . . -60.37 -53.57 44.42 Favored Glycine 0 N--CA 1.449 -0.481 0 N-CA-C 110.849 -0.9 . . . . 80.61 110.849 168.569 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2031 ' ' LEU . . . . . . . . . . . . . 88.7 mt -56.22 -43.59 78.71 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 120.517 -0.473 . . . . 83.22 111.768 -179.373 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2032 ' ' GLU . . . . . 0.757 ' CG ' HG21 ' B' 2045 ' ' THR . 50.3 mt-10 -59.21 -6.94 1.03 Allowed 'General case' 0 CA--C 1.515 -0.386 0 C-N-CA 120.276 -0.57 . . . . 115.82 112.436 179.046 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2033 ' ' THR . . . . . 0.679 ' HB ' ' O ' ' B' 2030 ' ' GLY . 0.9 OUTLIER -77.65 -21.85 51.56 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.751 -0.38 . . . . 84.07 111.285 -179.927 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B 2034 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.42 123.2 32.73 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 109.148 -0.686 . . . . 84.62 109.148 -179.118 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2035 ' ' LYS . . . . . . . . . . . . . . . -60.08 -43.26 95.63 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 119.72 -0.792 . . . . 87.77 110.618 173.266 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2036 ' ' THR . . . . . . . . . . . . . 16.2 m -49.26 -61.39 2.11 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.223 0.535 . . . . 111.72 110.17 172.65 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2037 ' ' PHE . . . . . . . . . . . . . 74.5 t80 -52.24 -42.75 63.87 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 119.339 -0.945 . . . . 97.41 111.203 -177.055 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2038 ' ' MET . . . . . 0.608 ' HE2' ' HA ' ' B' 2038 ' ' MET . 9.5 mmt -65.32 -45.94 82.27 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 119.607 -0.837 . . . . 107.25 111.474 -177.04 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2039 ' ' GLN . . . . . . . . . . . . . . . -49.6 -37.92 29.7 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.226 -0.589 . . . . 119.86 110.848 177.205 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2040 ' ' SER . . . . . 0.448 ' HB2' ' CD2' ' B' 2041 ' ' PHE . 3.9 m -88.69 -49.13 7.04 Favored 'General case' 0 C--O 1.209 -1.076 0 C-N-CA 116.615 -2.034 . . . . 130.8 115.381 178.397 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2041 ' ' PHE . . . . . 0.448 ' CD2' ' HB2' ' B' 2040 ' ' SER . 13.2 m-85 -113.68 19.14 17.0 Favored 'General case' 0 CA--C 1.478 -1.809 0 N-CA-C 118.528 2.788 . . . . 133.49 118.528 -175.497 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2042 ' ' GLY . . . . . 0.575 ' HA2' ' HE2' ' B' 2038 ' ' MET . . . -60.19 -40.09 96.8 Favored Glycine 0 C--O 1.211 -1.324 0 C-N-CA 120.031 -1.081 . . . . 113.62 113.629 -177.192 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2043 ' ' VAL . . . . . . . . . . . . . . . -61.05 -46.18 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.101 0 C-N-CA 119.754 -0.778 . . . . 121.87 111.281 -178.178 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2044 ' ' TYR . . . . . . . . . . . . . . . -62.74 -44.22 96.78 Favored 'General case' 0 C--O 1.21 -0.995 0 C-N-CA 119.758 -0.777 . . . . 130.92 111.067 -178.214 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2045 ' ' THR . . . . . 0.757 HG21 ' CG ' ' B' 2032 ' ' GLU . 0.9 OUTLIER -63.38 -39.22 93.93 Favored 'General case' 0 N--CA 1.432 -1.372 0 CA-C-N 115.966 -0.561 . . . . 127.46 112.495 -178.549 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B 2046 ' ' THR . . . . . . . . . . . . . 1.6 m -62.12 -40.12 94.83 Favored 'General case' 0 C--O 1.211 -0.946 0 C-N-CA 119.496 -0.882 . . . . 118.52 109.543 -178.564 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2047 ' ' LEU . . . . . . . . . . . . . . . -67.2 -40.74 86.5 Favored 'General case' 0 C--N 1.318 -0.795 0 O-C-N 122.042 -0.412 . . . . 134.48 110.791 176.686 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2048 ' ' PHE . . . . . . . . . . . . . 76.3 t80 -59.98 -37.92 81.06 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 119.142 -1.023 . . . . 117.64 110.537 178.294 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2049 ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -61.61 -48.49 80.69 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 119.835 -0.746 . . . . 105.85 110.722 174.806 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2050 ' ' GLN . . . . . 0.651 ' O ' HG22 ' B' 2053 ' ' ILE . . . -57.03 -44.26 82.71 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 119.678 -0.809 . . . . 117.76 110.82 178.761 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2051 ' ' ILE . . . . . . . . . . . . . 44.3 mt -59.37 -58.65 6.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 CA-C-O 121.328 0.585 . . . . 112.54 110.107 179.573 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2052 ' ' VAL . . . . . . . . . . . . . 36.7 t -49.96 -43.99 20.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-O 121.138 0.494 . . . . 99.66 110.583 179.233 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2053 ' ' ILE . . . . . 0.651 HG22 ' O ' ' B' 2050 ' ' GLN . 0.2 OUTLIER -67.55 -34.44 68.34 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 C-N-CA 119.46 -0.896 . . . . 108.42 110.49 -176.359 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B 2054 ' ' THR . . . . . . . . . . . . . 62.1 m -66.45 -48.5 69.75 Favored 'General case' 0 C--O 1.237 0.425 0 O-C-N 122.043 -0.411 . . . . 114.53 110.697 175.368 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2055 ' ' ILE . . . . . . . . . . . . . 46.4 mt -56.4 -42.3 74.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 C-N-CA 120.323 -0.551 . . . . 101.41 110.142 177.785 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2056 ' ' PHE . . . . . . . . . . . . . 11.2 m-30 -66.45 -42.59 87.4 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 119.035 -1.066 . . . . 108.69 111.022 -179.357 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2057 ' ' THR . . . . . . . . . . . . . 63.2 m -55.61 -49.73 72.02 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 119.51 -0.876 . . . . 105.37 110.319 174.835 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2058 ' ' ILE . . . . . . . . . . . . . 30.6 mm -55.72 -43.52 73.84 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-O 121.183 0.516 . . . . 107.85 110.234 177.326 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2059 ' ' GLU . . . . . 0.512 ' HG3' ' CZ ' ' B' 2014 ' ' PHE . 3.6 tt0 -63.4 -45.49 90.77 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.55 -0.46 . . . . 104.82 110.875 -177.481 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2060 ' ' ILE . . . . . 0.473 ' O ' HG13 ' B' 2064 ' ' ILE . 21.9 mm -57.93 -46.54 87.56 Favored 'Isoleucine or valine' 0 C--O 1.238 0.497 0 CA-C-O 121.542 0.687 . . . . 91.56 109.994 177.187 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2061 ' ' ILE . . . . . . . . . . . . . 74.7 mt -58.46 -48.29 85.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 CA-C-O 121.304 0.573 . . . . 97.18 110.253 -179.646 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2062 ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.06 -45.11 96.09 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 119.402 -0.919 . . . . 108.33 110.65 178.306 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2063 ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -62.88 -31.7 72.8 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 119.898 -0.721 . . . . 99.9 111.521 -177.551 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2064 ' ' ILE . . . . . 0.473 HG13 ' O ' ' B' 2060 ' ' ILE . 55.4 mt -71.32 -45.11 71.5 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 C-N-CA 119.176 -1.01 . . . . 104.54 110.579 175.868 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2065 ' ' TYR . . . . . . . . . . . . . . . -58.27 -41.02 83.37 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 119.592 -0.843 . . . . 118.74 111.571 177.876 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2066 ' ' VAL . . . . . . . . . . . . . 69.1 t -71.72 -43.01 70.66 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.523 0 N-CA-C 115.61 1.707 . . . . 103.04 115.61 176.129 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2067 ' ' HIS . . . . . . . . . . . . . 42.0 m80 -92.55 -15.3 27.14 Favored 'General case' 0 CA--C 1.488 -1.437 0 N-CA-C 114.804 1.409 . . . . 101.71 114.804 -176.62 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2068 ' ' ARG . . . . . . . . . . . . . . . 53.69 -134.42 1.63 Allowed 'General case' 0 C--O 1.198 -1.65 0 N-CA-C 113.33 0.863 . . . . 104.77 113.33 178.564 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2069 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -61.79 -42.76 95.72 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.44 0 C-N-CA 119.851 -0.74 . . . . 120.06 112.664 -177.15 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2070 ' ' SER . . . . . . . . . . . . . 58.8 m -43.48 -29.93 0.51 Allowed 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 112.128 0.418 . . . . 129.49 112.128 178.491 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2071 ' ' PHE . . . . . 0.502 ' CE2' ' HB3' ' B' 2077 ' ' SER . 33.3 t80 -59.21 -48.68 80.73 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 120.934 0.397 . . . . 102.06 111.275 -178.074 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2072 ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -80.47 0.36 33.9 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.858 0.688 . . . . 123.35 112.858 -175.833 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2073 ' ' LYS . . . . . . . . . . . . . . . -99.14 6.91 46.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 118.039 0.381 . . . . 107.41 111.45 169.971 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2074 ' ' ASP . . . . . . . . . . . . . 14.6 t70 -112.35 112.56 51.81 Favored Pre-proline 0 C--O 1.243 0.725 0 C-N-CA 123.097 0.559 . . . . 107.36 110.369 -172.853 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2075 ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -56.74 -37.26 98.27 Favored 'Trans proline' 0 C--O 1.24 0.624 0 CA-C-N 119.219 0.757 . . . . 100.89 113.484 -172.305 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2076 ' ' TRP . . . . . . . . . . . . . 32.0 m95 -66.03 -43.99 86.0 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 120.37 -0.532 . . . . 92.96 111.055 -179.091 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2077 ' ' SER . . . . . 0.502 ' HB3' ' CE2' ' B' 2071 ' ' PHE . 63.5 m -67.57 -41.15 84.64 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 120.46 -0.496 . . . . 81.63 111.446 179.659 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2078 ' ' LEU . . . . . . . . . . . . . 66.3 mt -53.51 -49.33 67.8 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.236 -0.586 . . . . 102.73 110.166 172.427 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2079 ' ' PHE . . . . . 0.685 ' CD1' ' H25' ' B' 2304 ' ' PX4 . 77.2 t80 -55.25 -55.4 31.84 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 119.257 -0.977 . . . . 90.59 110.355 177.535 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2080 ' ' ASP . . . . . 0.422 ' O ' HG23 ' B' 2084 ' ' VAL . 53.3 m-20 -51.66 -40.83 60.72 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 120.168 -0.613 . . . . 114.3 110.269 178.79 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2081 ' ' PHE . . . . . . . . . . . . . 43.1 t80 -63.1 -60.75 3.01 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.319 -0.4 . . . . 98.94 110.504 179.106 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2082 ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -54.87 -40.31 69.58 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 120.174 -0.61 . . . . 135.25 111.086 -175.869 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2083 ' ' VAL . . . . . 0.857 HG11 ' HA ' ' B' 2105 ' ' ARG . 40.3 t -73.31 -38.47 53.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 119.332 -0.947 . . . . 91.08 111.382 -174.865 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2084 ' ' VAL . . . . . 0.422 HG23 ' O ' ' B' 2080 ' ' ASP . 86.8 t -66.16 -39.52 84.57 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 C-N-CA 118.194 -1.402 . . . . 97.59 109.728 175.237 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2085 ' ' ALA . . . . . 0.543 ' O ' ' HB2' ' B' 2088 ' ' LEU . . . -59.49 -45.89 90.4 Favored 'General case' 0 C--O 1.238 0.455 0 O-C-N 122.107 -0.371 . . . . 96.25 111.457 -178.654 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2086 ' ' ILE . . . . . . . . . . . . . 34.4 mt -49.0 -48.91 16.26 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 CA-C-O 121.275 0.56 . . . . 104.56 110.032 174.702 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2087 ' ' SER . . . . . 0.494 ' HA ' ' HG2' ' B' 2102 ' ' ARG . 73.8 m -66.11 -0.76 2.64 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 111.983 0.364 . . . . 119.24 111.983 -176.905 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2088 ' ' LEU . . . . . 0.543 ' HB2' ' O ' ' B' 2085 ' ' ALA . 7.2 mt -97.76 -27.43 14.33 Favored 'General case' 0 N--CA 1.428 -1.56 0 O-C-N 124.5 1.125 . . . . 113.98 112.955 -177.531 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2089 ' ' VAL . . . . . 0.867 ' CG1' ' HD2' ' B' 2090 ' ' PRO . 97.8 t -60.85 133.72 92.22 Favored Pre-proline 0 N--CA 1.443 -0.817 0 N-CA-C 107.364 -1.347 . . . . 154.66 107.364 -179.221 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2090 ' ' PRO . . . . . 0.867 ' HD2' ' CG1' ' B' 2089 ' ' VAL . 89.4 Cg_endo -59.12 136.94 76.29 Favored 'Trans proline' 0 CA--C 1.496 -1.405 0 C-N-CA 122.329 2.019 . . . . 147.96 113.681 -174.511 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2091 ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.446 -0.657 0 CA-C-N 112.87 -1.968 . . . . 163.57 110.035 -179.976 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2096 ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.21 -1.011 0 N-CA-C 105.406 -2.072 . . . . 145.87 105.406 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2097 ' ' ILE . . . . . . . . . . . . . . . -64.7 -35.83 75.93 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.44 0 C-N-CA 123.558 0.743 . . . . 94.02 109.471 175.873 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2098 ' ' LEU . . . . . . . . . . . . . 48.9 mt -56.84 -36.48 70.05 Favored 'General case' 0 C--O 1.201 -1.486 0 C-N-CA 123.948 0.899 . . . . 113.88 113.348 -178.653 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2099 ' ' ARG . . . . . . . . . . . . . . . -60.57 -39.34 87.64 Favored 'General case' 0 C--O 1.199 -1.565 0 CA-C-N 120.161 1.346 . . . . 88.21 110.791 177.56 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2100 ' ' VAL . . . . . . . . . . . . . 75.3 t -73.1 -35.2 47.29 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.922 0 O-C-N 122.054 -0.404 . . . . 72.6 111.647 176.474 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2101 ' ' LEU . . . . . . . . . . . . . 44.6 mt -68.09 -14.44 62.97 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 119.243 -0.983 . . . . 86.3 112.206 -179.918 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2102 ' ' ARG . . . . . 0.494 ' HG2' ' HA ' ' B' 2087 ' ' SER . 93.8 mtt180 -56.79 -29.25 62.51 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.262 -0.575 . . . . 126.82 111.909 174.145 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2103 ' ' VAL . . . . . . . . . . . . . 4.2 p -65.45 -20.52 27.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 118.46 -1.296 . . . . 92.78 110.65 -178.987 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2104 ' ' LEU . . . . . . . . . . . . . 28.4 mt -57.34 -22.58 43.19 Favored 'General case' 0 C--N 1.337 0.065 0 N-CA-C 112.036 0.384 . . . . 78.58 112.036 177.484 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2105 ' ' ARG . . . . . 0.857 ' HA ' HG11 ' B' 2083 ' ' VAL . 7.7 ptp85 -57.17 -20.64 27.63 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 120.194 -0.603 . . . . 110.8 112.167 175.618 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2106 ' ' LEU . . . . . . . . . . . . . 62.5 mt -70.24 -18.15 63.14 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 118.449 -1.3 . . . . 87.69 111.611 178.383 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2107 ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -67.14 -15.24 63.59 Favored 'General case' 0 CA--C 1.514 -0.412 0 C-N-CA 118.592 -1.243 . . . . 79.07 112.06 172.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2108 ' ' ARG . . . . . 0.521 ' HB2' HD12 ' B' 2022 ' ' ILE . 48.1 mtp180 -55.79 -21.9 21.72 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 119.083 -1.047 . . . . 97.87 111.457 172.657 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2109 ' ' LEU . . . . . . . . . . . . . 17.8 tp -60.8 -33.48 73.06 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 119.341 -0.944 . . . . 101.38 110.823 174.02 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2110 ' ' VAL . . . . . 0.45 HG13 ' HB3' ' B' 2116 ' ' MET . 49.9 t -67.76 -52.35 41.11 Favored 'Isoleucine or valine' 0 C--O 1.239 0.5 0 CA-C-O 120.89 0.376 . . . . 92.79 110.229 172.819 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2111 ' ' THR . . . . . . . . . . . . . 18.7 p -60.58 -28.27 68.34 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 119.566 -0.853 . . . . 90.98 111.915 -178.18 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2112 ' ' ALA . . . . . . . . . . . . . . . -94.63 -9.72 34.13 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 113.463 0.912 . . . . 87.04 113.463 -174.611 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2113 ' ' VAL . . . . . 0.527 HG12 ' HG2' ' B' 2115 ' ' GLN . 91.6 t -110.51 119.17 47.3 Favored Pre-proline 0 C--O 1.25 1.113 0 CA-C-N 119.605 1.093 . . . . 102.34 108.552 -178.921 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2114 ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -57.83 -38.22 93.48 Favored 'Trans proline' 0 CA--C 1.485 -1.933 0 C-N-CA 121.319 1.346 . . . . 101.51 112.89 -174.73 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2115 ' ' GLN . . . . . 0.527 ' HG2' HG12 ' B' 2113 ' ' VAL . 0.0 OUTLIER -63.73 -40.91 97.91 Favored 'General case' 0 C--O 1.208 -1.126 0 C-N-CA 118.947 -1.101 . . . . 124.16 110.467 178.603 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B 2116 ' ' MET . . . . . 0.45 ' HB3' HG13 ' B' 2110 ' ' VAL . 12.4 mmt -63.28 -48.66 77.22 Favored 'General case' 0 C--O 1.198 -1.657 0 C-N-CA 119.976 -0.69 . . . . 129.79 111.243 178.975 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2117 ' ' ARG . . . . . . . . . . . . . 33.9 mtt180 -45.56 -50.51 12.98 Favored 'General case' 0 C--N 1.318 -0.774 0 O-C-N 121.599 -0.688 . . . . 144.01 110.444 175.953 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2118 ' ' LYS . . . . . . . . . . . . . . . -61.54 -45.3 94.74 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 116.125 -0.489 . . . . 90.02 110.976 -172.368 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2119 ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -55.61 -54.07 29.86 Favored 'Isoleucine or valine' 0 C--O 1.238 0.479 0 CA-C-O 121.706 0.765 . . . . 105.24 110.24 174.498 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2120 ' ' VAL . . . . . 0.445 HG21 HG11 ' B' 2110 ' ' VAL . 74.2 t -61.42 -42.33 93.36 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.391 0 C-N-CA 119.8 -0.76 . . . . 78.52 110.043 -174.956 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2121 ' ' SER . . . . . . . . . . . . . 57.9 m -60.83 -46.91 88.7 Favored 'General case' 0 CA--C 1.511 -0.553 0 C-N-CA 120.288 -0.565 . . . . 95.95 110.958 176.367 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2122 ' ' ALA . . . . . . . . . . . . . . . -57.79 -51.34 69.96 Favored 'General case' 0 CA--C 1.506 -0.748 0 C-N-CA 119.18 -1.008 . . . . 80.68 109.702 178.271 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2123 ' ' LEU . . . . . . . . . . . . . 87.5 mt -56.54 -48.75 76.61 Favored 'General case' 0 C--O 1.237 0.437 0 O-C-N 120.745 -1.222 . . . . 84.13 111.235 -177.322 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2124 ' ' ILE . . . . . 0.409 HD12 HG12 ' B' 2120 ' ' VAL . 22.1 mt -64.58 -29.49 47.51 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 O-C-N 122.28 -0.262 . . . . 109.54 111.237 -178.493 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2125 ' ' SER . . . . . 0.492 ' O ' ' HD2' ' B' 2128 ' ' PRO . 86.1 p -65.49 -24.19 67.08 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.296 -0.562 . . . . 84.68 112.167 -168.095 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2126 ' ' VAL . . . . . 0.74 HG12 ' H16' ' B' 2307 ' ' CPS . 0.4 OUTLIER -73.45 -14.36 16.56 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 C-N-CA 119.799 -0.76 . . . . 102.72 111.752 177.66 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B 2127 ' ' ILE . . . . . . . . . . . . . 12.4 mt -70.97 -44.49 14.5 Favored Pre-proline 0 C--O 1.238 0.477 0 N-CA-C 112.305 0.483 . . . . 86.84 112.305 -168.112 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2128 ' ' PRO . . . . . 0.492 ' HD2' ' O ' ' B' 2125 ' ' SER . 78.5 Cg_exo -49.2 -42.16 40.29 Favored 'Trans proline' 0 N--CA 1.475 0.4 0 CA-C-N 120.386 1.174 . . . . 94.41 113.924 -177.5 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2129 ' ' GLY . . . . . . . . . . . . . . . -74.89 -13.31 82.59 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 114.917 0.727 . . . . 104.76 114.917 179.29 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2130 ' ' MET . . . . . . . . . . . . . 31.2 mtp -88.57 -8.87 54.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 117.868 0.834 . . . . 95.7 112.811 179.493 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2131 ' ' LEU . . . . . . . . . . . . . 66.7 mt -61.28 -36.27 79.59 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 112.266 0.469 . . . . 110.15 112.266 -166.69 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2132 ' ' SER . . . . . . . . . . . . . 53.7 p -76.07 -33.98 59.56 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 116.881 -1.928 . . . . 102.06 111.117 -176.823 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2133 ' ' VAL . . . . . 0.473 HG23 ' O ' ' B' 2401 ' ' HOH . 61.0 t -64.72 -38.98 84.07 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 CA-C-O 121.221 0.534 . . . . 91.97 110.3 172.454 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2134 ' ' ILE . . . . . . . . . . . . . 77.4 mt -63.64 -46.97 93.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-O 121.301 0.572 . . . . 85.7 110.01 175.235 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2135 ' ' ALA . . . . . . . . . . . . . . . -54.8 -48.09 73.18 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 121.944 -0.472 . . . . 75.56 111.088 174.847 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2136 ' ' LEU . . . . . . . . . . . . . 42.5 tp -56.0 -50.24 71.4 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.301 0.572 . . . . 101.14 111.279 177.862 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2137 ' ' MET . . . . . . . . . . . . . 41.4 mmm -64.06 -41.29 97.42 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 120.027 -0.669 . . . . 107.76 110.792 -178.032 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2138 ' ' THR . . . . . . . . . . . . . 91.2 m -60.09 -44.99 94.39 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 121.005 0.431 . . . . 77.71 110.489 178.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2139 ' ' LEU . . . . . . . . . . . . . 67.2 tp -58.59 -42.0 87.04 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 119.532 -0.867 . . . . 74.02 110.156 173.042 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2140 ' ' PHE . . . . . . . . . . . . . 84.1 t80 -61.14 -48.21 82.67 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 120.915 0.388 . . . . 66.53 110.486 -177.629 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2141 ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -58.83 -42.42 89.23 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.704 -0.399 . . . . 70.7 110.726 175.875 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2142 ' ' TYR . . . . . . . . . . . . . 77.0 t80 -60.16 -45.32 93.48 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 120.626 -0.43 . . . . 78.31 110.608 -174.623 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2143 ' ' ILE . . . . . . . . . . . . . 43.2 mt -65.82 -44.76 92.81 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.713 0 CA-C-N 115.208 -0.906 . . . . 69.41 112.646 179.281 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2144 ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -67.07 -37.43 84.0 Favored 'General case' 0 C--O 1.195 -1.777 0 C-N-CA 120.463 -0.495 . . . . 78.0 111.71 178.302 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2145 ' ' ALA . . . . . . . . . . . . . . . -61.96 -43.39 98.94 Favored 'General case' 0 C--O 1.19 -2.036 0 CA-C-O 119.166 -0.445 . . . . 65.87 110.161 178.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2146 ' ' ILE . . . . . . . . . . . . . 67.8 mt -63.47 -45.59 97.46 Favored 'Isoleucine or valine' 0 C--O 1.179 -2.634 0 C-N-CA 120.097 -0.641 . . . . 69.47 110.531 178.507 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2147 ' ' MET . . . . . . . . . . . . . 37.4 mtp -62.67 -37.75 87.65 Favored 'General case' 0 C--N 1.308 -1.207 0 C-N-CA 119.242 -0.983 . . . . 81.27 111.417 178.444 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2148 ' ' ALA . . . . . . . . . . . . . . . -71.13 -35.64 71.8 Favored 'General case' 0 C--O 1.239 0.545 0 C-N-CA 119.204 -0.998 . . . . 68.88 110.16 -175.13 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2149 ' ' THR . . . . . . . . . . . . . 96.4 m -60.82 -45.03 96.04 Favored 'General case' 0 CA--C 1.514 -0.44 0 C-N-CA 120.391 -0.523 . . . . 66.89 110.425 176.235 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2150 ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -70.43 -37.3 74.37 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 116.479 -0.328 . . . . 99.23 111.443 -179.057 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2151 ' ' LEU . . . . . . . . . . . . . 60.2 mt -77.83 -36.66 49.84 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 118.759 -1.176 . . . . 68.76 111.543 -175.24 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2152 ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -126.28 -7.64 6.44 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 114.366 1.247 . . . . 61.27 114.366 -165.526 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2153 ' ' GLY . . . . . . . . . . . . . . . -70.71 -29.58 69.37 Favored Glycine 0 C--N 1.337 0.609 0 C-N-CA 119.944 -1.122 . . . . 64.33 112.964 -168.534 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2154 ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -67.47 -45.52 75.71 Favored 'General case' 0 C--O 1.242 0.705 0 CA-C-O 121.224 0.535 . . . . 141.52 110.978 -178.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2155 ' ' ARG . . . . . 0.676 HH21 ' H5 ' ' B' 2303 ' ' PX4 . 8.9 mmt180 -89.79 -18.88 25.46 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 114.248 1.203 . . . . 100.08 114.248 -177.255 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2156 ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -132.58 61.84 59.26 Favored Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 109.43 -0.581 . . . . 60.16 109.43 -179.358 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2157 ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -59.75 -35.49 94.35 Favored 'Trans proline' 0 N--CA 1.475 0.404 0 N-CA-C 114.659 0.984 . . . . 65.34 114.659 -173.255 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2158 ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -61.6 -40.24 94.11 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 118.861 -1.135 . . . . 84.57 110.619 -178.023 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2159 ' ' TRP . . . . . . . . . . . . . 31.3 m0 -89.79 -27.98 19.63 Favored 'General case' 0 C--O 1.24 0.603 0 N-CA-C 113.205 0.817 . . . . 64.16 113.205 -176.725 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2160 ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -143.08 14.79 1.88 Allowed 'General case' 0 C--O 1.237 0.427 0 C-N-CA 118.733 -1.187 . . . . 56.27 113.145 -172.074 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2161 ' ' GLY . . . . . . . . . . . . . . . -68.85 -15.64 69.34 Favored Glycine 0 C--N 1.337 0.601 0 C-N-CA 118.3 -1.905 . . . . 75.6 113.766 -172.497 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2162 ' ' THR . . . . . 0.816 HG22 ' H ' ' B' 2165 ' ' GLU . 0.4 OUTLIER -145.41 145.93 31.33 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 106.846 -1.539 . . . . 83.32 106.846 -169.596 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B 2163 ' ' LEU . . . . . . . . . . . . . 21.9 tp -47.15 -42.5 19.65 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.293 -0.563 . . . . 73.79 111.504 177.747 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2164 ' ' GLY . . . . . 0.473 ' H ' HG23 ' B' 2162 ' ' THR . . . -68.13 -40.86 87.97 Favored Glycine 0 C--N 1.332 0.326 0 C-N-CA 119.702 -1.237 . . . . 63.23 113.098 -178.559 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2165 ' ' GLU . . . . . 0.816 ' H ' HG22 ' B' 2162 ' ' THR . 28.4 mt-10 -62.72 -43.23 99.33 Favored 'General case' 0 C--O 1.236 0.357 0 O-C-N 122.079 -0.66 . . . . 106.71 111.232 174.793 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2166 ' ' SER . . . . . . . . . . . . . 55.1 m -60.18 -41.4 92.8 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 120.222 -0.591 . . . . 63.65 110.971 175.788 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2167 ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -57.3 -49.98 74.37 Favored 'General case' 0 CA--C 1.508 -0.664 0 C-N-CA 119.551 -0.859 . . . . 75.78 109.55 176.651 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2168 ' ' TYR . . . . . . . . . . . . . 72.4 t80 -56.48 -52.04 66.21 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-N 115.562 -0.744 . . . . 57.55 110.492 -179.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2169 ' ' THR . . . . . . . . . . . . . 89.5 m -61.04 -43.67 98.55 Favored 'General case' 0 C--O 1.244 0.8 0 C-N-CA 119.455 -0.898 . . . . 58.38 110.534 -176.587 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2170 ' ' LEU . . . . . . . . . . . . . 33.0 mt -59.58 -39.11 83.04 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 119.709 -0.796 . . . . 61.9 111.478 177.75 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2171 ' ' PHE . . . . . . . . . . . . . 82.4 t80 -61.61 -38.22 86.8 Favored 'General case' 0 CA--C 1.511 -0.554 0 C-N-CA 117.097 -1.841 . . . . 64.97 110.492 174.961 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2172 ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -64.45 -42.21 96.08 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 119.712 -0.795 . . . . 58.32 110.155 179.746 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2173 ' ' VAL . . . . . . . . . . . . . 94.7 t -60.02 -40.34 82.86 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.632 0 CA-C-N 116.501 -0.318 . . . . 58.8 110.336 177.165 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2174 ' ' MET . . . . . 0.655 ' HG3' HG11 ' B' 2205 ' ' VAL . 51.3 ttp -62.97 -38.82 92.66 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 119.308 -0.957 . . . . 71.2 111.656 179.839 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2175 ' ' THR . . . . . . . . . . . . . 28.8 p -75.82 -1.82 27.03 Favored 'General case' 0 CA--C 1.51 -0.564 0 C-N-CA 115.388 -2.525 . . . . 66.63 111.526 176.345 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2176 ' ' LEU . . . . . . . . . . . . . 84.4 mt 73.07 14.35 4.69 Favored 'General case' 0 C--O 1.239 0.5 0 C-N-CA 123.282 0.633 . . . . 59.37 111.915 176.188 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2177 ' ' GLU . . . . . 0.548 ' OE1' ' OG ' ' B' 2178 ' ' SER . 0.7 OUTLIER -79.07 111.84 15.68 Favored 'General case' 0 C--O 1.24 0.597 0 N-CA-C 109.772 -0.455 . . . . 73.38 109.772 -175.389 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B 2178 ' ' SER . . . . . 0.548 ' OG ' ' OE1' ' B' 2177 ' ' GLU . 6.7 m 51.66 27.77 4.28 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 122.652 0.381 . . . . 64.2 111.849 178.371 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2179 ' ' TRP . . . . . . . . . . . . . 42.6 p-90 -62.45 -34.13 76.19 Favored 'General case' 0 C--O 1.24 0.592 0 C-N-CA 118.332 -1.347 . . . . 55.39 111.289 -172.418 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2180 ' ' SER . . . . . . . . . . . . . 38.4 t -92.13 -60.42 1.85 Allowed 'General case' 0 C--O 1.235 0.316 0 C-N-CA 119.176 -1.01 . . . . 53.33 112.673 -177.164 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2181 ' ' MET . . . . . . . . . . . . . 78.2 mmm -64.03 -31.76 73.07 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 118.682 -1.207 . . . . 63.22 110.563 -178.293 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2182 ' ' GLY . . . . . 0.657 ' C ' HD12 ' B' 2183 ' ' ILE . . . -92.17 -27.62 15.44 Favored Glycine 0 N--CA 1.441 -0.977 0 C-N-CA 118.492 -1.813 . . . . 65.31 113.784 -173.023 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2183 ' ' ILE . . . . . 0.657 HD12 ' C ' ' B' 2182 ' ' GLY . 1.7 mp -124.47 -57.41 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-N 119.141 1.471 . . . . 73.28 111.734 -173.096 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2184 ' ' VAL . . . . . . . . . . . . . 59.3 t -77.24 -39.63 28.71 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 C-N-CA 118.739 -1.185 . . . . 58.53 110.841 -165.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2185 ' ' ARG . . . . . . . . . . . . . 83.5 mtt-85 -61.41 -45.54 94.54 Favored Pre-proline 0 C--O 1.253 1.263 0 C-N-CA 117.613 -1.635 . . . . 58.52 111.495 175.436 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2186 ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -59.23 -43.09 44.1 Favored 'Trans proline' 0 N--CA 1.48 0.724 0 CA-C-N 121.602 1.608 . . . . 60.35 111.37 174.076 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2187 ' ' LEU . . . . . . . . . . . . . 1.1 mp -57.1 -41.63 79.29 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 120.995 -1.065 . . . . 61.78 111.303 176.948 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2188 ' ' MET . . . . . . . . . . . . . 68.0 mtm -68.56 -17.76 64.2 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 119.964 -0.694 . . . . 73.49 112.597 -174.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2189 ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -67.24 -21.44 65.73 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 120.319 -0.552 . . . . 113.87 111.79 175.567 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2190 ' ' VAL . . . . . . . . . . . . . 73.7 t -109.67 -32.23 2.35 Favored 'Isoleucine or valine' 0 C--O 1.243 0.736 0 CA-C-O 119.046 -0.502 . . . . 66.54 111.53 173.329 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2191 ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -125.69 84.62 60.28 Favored Pre-proline 0 C--N 1.321 -0.637 0 N-CA-C 106.785 -1.561 . . . . 68.7 106.785 -173.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2192 ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -51.68 -28.84 31.08 Favored 'Trans proline' 0 CA--C 1.505 -0.946 0 C-N-CA 120.398 0.732 . . . . 67.28 113.033 -173.539 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2193 ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -92.56 13.6 19.35 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 113.217 0.821 . . . . 98.06 113.217 179.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2194 ' ' ALA . . . . . . . . . . . . . . . -52.04 -30.56 26.06 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 117.392 -1.723 . . . . 67.42 111.124 175.9 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2195 ' ' TRP . . . . . . . . . . . . . 65.6 p-90 -63.57 -24.87 67.99 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 119.623 -0.831 . . . . 67.55 111.672 -176.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2196 ' ' VAL . . . . . 0.416 HG12 ' O ' ' B' 2196 ' ' VAL . 97.8 t -70.5 -17.13 20.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-N 118.593 0.633 . . . . 80.76 110.998 -178.064 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2197 ' ' PHE . . . . . . . . . . . . . 56.1 t80 -91.44 -44.41 9.14 Favored 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 123.727 0.811 . . . . 70.59 110.467 179.546 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2198 ' ' PHE . . . . . 0.674 ' O ' HG13 ' B' 2202 ' ' ILE . 89.0 m-85 -90.08 -27.36 19.72 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 114.535 1.309 . . . . 69.29 114.535 -170.241 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2199 ' ' ILE . . . . . 0.667 ' HB ' ' HD3' ' B' 2200 ' ' PRO . 2.1 mm -67.71 -58.69 7.87 Favored Pre-proline 0 C--O 1.24 0.578 0 N-CA-C 105.587 -2.005 . . . . 80.18 105.587 178.683 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2200 ' ' PRO . . . . . 0.667 ' HD3' ' HB ' ' B' 2199 ' ' ILE . 77.1 Cg_exo -52.24 -46.41 32.94 Favored 'Trans proline' 0 CA--C 1.51 -0.707 0 CA-C-N 119.083 0.708 . . . . 72.82 112.194 179.255 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2201 ' ' PHE . . . . . . . . . . . . . 76.0 t80 -50.54 -46.05 57.18 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 120.062 -0.655 . . . . 66.98 110.993 172.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2202 ' ' ILE . . . . . 0.674 HG13 ' O ' ' B' 2198 ' ' PHE . 55.2 mt -66.16 -33.28 62.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 C-N-CA 117.641 -1.624 . . . . 65.84 110.421 -179.079 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2203 ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -67.25 -51.03 58.07 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 119.934 -0.706 . . . . 90.3 109.793 -177.197 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2204 ' ' VAL . . . . . . . . . . . . . 53.9 t -53.98 -53.98 23.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 CA-C-O 122.016 0.912 . . . . 72.18 110.057 -179.608 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2205 ' ' VAL . . . . . 0.655 HG11 ' HG3' ' B' 2174 ' ' MET . 2.1 t -65.89 -42.1 91.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 C-N-CA 119.242 -0.983 . . . . 82.59 110.806 -166.87 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2206 ' ' SER . . . . . . . . . . . . . 20.2 m -65.65 -45.5 82.74 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 121.989 -0.444 . . . . 66.15 111.064 179.878 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2207 ' ' PHE . . . . . . . . . . . . . 83.2 t80 -60.05 -40.27 88.84 Favored 'General case' 0 N--CA 1.442 -0.836 0 O-C-N 122.27 -0.269 . . . . 86.69 110.729 177.564 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2208 ' ' VAL . . . . . . . . . . . . . 39.1 t -65.82 -40.86 88.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 120.896 0.379 . . . . 72.96 110.504 177.297 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2209 ' ' MET . . . . . . . . . . . . . 23.0 mmt -62.32 -46.57 88.13 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 119.264 -0.974 . . . . 123.99 110.865 179.704 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2210 ' ' ILE . . . . . . . . . . . . . 82.8 mt -65.67 -45.63 91.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 C-N-CA 120.234 -0.586 . . . . 81.52 110.489 -177.354 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2211 ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -62.0 -32.14 72.58 Favored 'General case' 0 N--CA 1.445 -0.686 0 O-C-N 122.287 -0.258 . . . . 102.27 111.231 179.734 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2212 ' ' LEU . . . . . 0.432 HD22 HG11 ' B' 2133 ' ' VAL . 1.7 tp -64.57 -43.7 93.05 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 119.993 -0.683 . . . . 95.2 110.951 176.101 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2213 ' ' VAL . . . . . . . . . . . . . 87.4 t -64.45 -42.33 94.94 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 C-N-CA 120.409 -0.516 . . . . 82.62 110.679 175.519 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2214 ' ' VAL . . . . . . . . . . . . . 37.9 t -64.02 -44.05 97.73 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.288 0 O-C-N 121.834 -0.541 . . . . 89.17 110.178 -175.981 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2215 ' ' ALA . . . . . . . . . . . . . . . -69.94 -26.13 63.98 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 111.818 0.303 . . . . 91.8 111.818 -176.028 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2216 ' ' ILE . . . . . . . . . . . . . 74.0 mt -67.79 -53.65 29.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 C-N-CA 120.102 -0.639 . . . . 96.56 110.103 174.164 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2217 ' ' ILE . . . . . 0.797 ' O ' ' HG2' ' B' 2221 ' ' MET . 54.4 mt -57.53 -49.52 80.14 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 C-N-CA 119.971 -0.691 . . . . 91.11 110.358 -179.233 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2218 ' ' VAL . . . . . . . . . . . . . 91.5 t -75.14 -39.3 43.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 C-N-CA 119.162 -1.015 . . . . 101.85 111.2 -168.423 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2219 ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -68.93 -29.05 67.22 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 118.23 -1.388 . . . . 106.23 111.272 175.145 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2220 ' ' ALA . . . . . . . . . . . . . . . -59.67 -54.48 45.92 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 119.484 -0.886 . . . . 96.26 110.295 171.646 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2221 ' ' MET . . . . . 0.797 ' HG2' ' O ' ' B' 2217 ' ' ILE . 2.8 mmt -62.26 -33.51 74.75 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 121.986 -0.446 . . . . 131.09 111.788 -176.919 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2222 ' ' ALA . . . . . . . . . . . . . . . -61.34 -40.86 95.81 Favored 'General case' 0 C--O 1.242 0.703 0 C-N-CA 120.118 -0.633 . . . . 120.1 110.671 177.35 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2223 ' ' ILE . . . . . . . . . . . . . 57.2 mt -65.62 -46.33 89.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 C-N-CA 120.803 -0.359 . . . . 132.61 110.403 175.179 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2224 ' ' LEU . . . . . . . . . . . . . 88.4 mt -55.46 -37.72 68.14 Favored 'General case' 0 C--O 1.241 0.64 0 C-N-CA 119.267 -0.973 . . . . 124.65 111.052 173.787 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2225 ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -67.75 -40.18 84.14 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 119.478 -0.889 . . . . 134.38 111.806 178.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2226 ' ' GLN . . . . . . . . . . . . . . . -64.9 -43.2 93.65 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 113.162 0.801 . . . . 131.62 113.162 -179.847 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2227 ' ' LYS . . . . . . . . . . . . . . . -63.47 -41.28 98.61 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-O 121.336 0.588 . . . . 157.08 110.412 -179.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2228 ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -63.28 -42.62 99.11 Favored 'General case' 0 C--O 1.204 -1.31 0 CA-C-N 116.003 -0.544 . . . . 163.08 109.878 178.779 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2229 ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -60.16 -47.97 83.67 Favored 'General case' 0 N--CA 1.431 -1.401 0 CA-C-N 116.141 -0.481 . . . . 157.42 110.198 -177.98 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2230 ' ' GLN . . . . . . . . . . . . . . . -60.22 -41.64 93.49 Favored 'General case' 0 N--CA 1.436 -1.146 0 C-N-CA 119.632 -0.827 . . . . 160.84 109.963 -179.872 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2231 ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -61.99 -45.99 91.21 Favored 'General case' 0 C--O 1.212 -0.905 0 C-N-CA 119.434 -0.906 . . . . 172.87 110.081 -178.767 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2232 ' ' ILE . . . . . . . . . . . . . 6.2 mt -65.85 -39.97 86.25 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.263 0 C-N-CA 120.137 -0.625 . . . . 165.37 111.318 -179.537 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2233 ' ' ILE . . . . . . . . . . . . . . . -62.76 -38.12 80.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 C-N-CA 120.127 -0.629 . . . . 190.96 112.089 -179.126 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2234 ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -60.79 -45.1 95.71 Favored 'General case' 0 CA--C 1.495 -1.165 0 C-N-CA 119.726 -0.79 . . . . 203.48 111.216 -178.858 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2235 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.3 -43.58 97.45 Favored 'General case' 0 C--O 1.212 -0.871 0 C-N-CA 119.189 -1.005 . . . . 208.29 109.224 -179.42 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2236 ' ' VAL . . . . . . . . . . . . . . . -62.24 -41.57 91.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 O-C-N 121.733 -0.605 . . . . 194.09 109.557 178.473 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2237 ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -62.51 -42.29 99.41 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 109.416 -0.587 . . . . 197.59 109.416 177.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2238 ' ' SER . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.902 0 N-CA-C 108.96 -0.756 . . . . 207.17 108.96 178.368 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2301 ' ' PX4 . . . . . 0.575 ' O8 ' ' H26' ' B' 2302 ' ' PX4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2302 ' ' PX4 . . . . . 0.575 ' H26' ' O8 ' ' B' 2301 ' ' PX4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2303 ' ' PX4 . . . . . 0.676 ' H5 ' HH21 ' B' 2155 ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2304 ' ' PX4 . . . . . 0.685 ' H25' ' CD1' ' B' 2079 ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2305 ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2306 ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2307 ' ' CPS . . . . . 0.74 ' H16' HG12 ' B' 2126 ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2308 ' ' CPS . . . . . 0.725 ' O4 ' H21B ' B' 2308 ' ' CPS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2309 ' ' CPS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2401 ' ' HOH . . . . . 0.473 ' O ' HG23 ' B' 2133 ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2402 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2403 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2404 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2405 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2406 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2407 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2408 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2409 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2410 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2411 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2412 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2413 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2414 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2415 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2416 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2417 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2418 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2419 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2420 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2421 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2422 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2423 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2424 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2425 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2426 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2427 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2428 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1999 ' ' SER . . . . . . . . . . . . . 37.9 t . . . . . 0 CA--C 1.524 -0.035 0 CA-C-O 120.665 0.269 . . . . 179.04 111.351 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2000 ' ' HIS . . . . . . . . . . . . . 68.6 t60 -72.81 -63.33 1.19 Allowed 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.098 0.475 . . . . 168.66 110.851 173.4 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2001 ' ' MET . . . . . . . . . . . . . . . -49.48 -31.68 10.54 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.489 -0.484 . . . . 150.06 111.372 177.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2002 ' ' TYR . . . . . . . . . . . . . 88.0 t80 -59.3 -56.27 24.17 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 120.412 -0.515 . . . . 126.41 110.958 177.15 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2003 ' ' LEU . . . . . . . . . . . . . 34.0 mt -60.47 -30.58 69.77 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 119.156 -1.018 . . . . 111.44 110.95 176.632 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2004 ' ' ARG . . . . . . . . . . . . . . . -64.06 -49.0 74.03 Favored 'General case' 0 N--CA 1.424 -1.77 0 C-N-CA 117.108 -1.837 . . . . 106.82 108.888 -178.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2005 ' ' ILE . . . . . . . . . . . . 0.273 2.0 pt -68.23 -39.32 80.95 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.143 0 C-N-CA 119.034 -1.066 . . . . 125.52 112.368 -178.942 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2006 ' ' THR . . . . . . . . . . . . . 18.6 m -60.32 -38.14 82.79 Favored 'General case' 0 CA--C 1.476 -1.891 0 CA-C-N 115.684 -0.689 . . . . 105.62 109.813 -177.451 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2007 ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -69.05 -31.92 71.04 Favored 'General case' 0 C--N 1.304 -1.403 0 C-N-CA 117.482 -1.687 . . . . 139.58 111.729 179.99 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2008 ' ' ILE . . . . . . . . . . . . . 35.2 mm -65.3 -61.6 1.62 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-O 121.245 0.545 . . . . 110.48 110.283 169.274 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2009 ' ' VAL . . . . . . . . . . . . . 4.6 t -54.29 -33.59 26.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 O-C-N 122.18 -0.325 . . . . 106.79 111.753 -173.876 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2010 ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -89.45 -11.6 42.59 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.923 0.712 . . . . 122.57 112.923 -179.971 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2011 ' ' SER . . . . . . . . . . . . . 83.5 p -62.35 148.93 43.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.85 0.833 . . . . 98.14 110.855 -175.133 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2012 ' ' SER . . . . . . . . . . . . . 1.2 t -54.76 -43.41 72.7 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 114.893 -1.048 . . . . 108.47 110.565 172.069 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2013 ' ' PHE . . . . . . . . . . . . . . . -60.23 -44.68 95.0 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 120.325 -0.55 . . . . 108.22 111.377 -175.343 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2014 ' ' PHE . . . . . 0.512 ' CZ ' ' HG3' ' B' 2059 ' ' GLU . 63.8 t80 -56.51 -55.55 32.34 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.105 0.478 . . . . 101.27 110.757 -176.798 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2015 ' ' THR . . . . . . . . . . . . . 22.0 m -55.67 -41.59 73.9 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 119.853 -0.739 . . . . 99.82 110.926 177.6 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2016 ' ' LYS . . . . . . . . . . . . . . . -63.15 -44.63 94.98 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 119.984 -0.686 . . . . 95.13 110.803 -179.08 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2017 ' ' PHE . . . . . . . . . . . . . 78.1 t80 -54.46 -53.91 47.9 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.022 0.439 . . . . 104.36 111.135 175.793 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2018 ' ' ILE . . . . . 0.486 ' O ' HG12 ' B' 2022 ' ' ILE . 26.9 mm -55.04 -49.05 74.85 Favored 'Isoleucine or valine' 0 C--O 1.243 0.72 0 CA-C-O 121.197 0.522 . . . . 84.26 110.253 -177.225 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2019 ' ' ILE . . . . . . . . . . . . . 50.8 mt -55.94 -48.24 78.84 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 CA-C-O 121.379 0.609 . . . . 84.4 110.281 177.078 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2020 ' ' TYR . . . . . . . . . . . . . 73.6 t80 -49.96 -44.76 50.83 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.359 -0.382 . . . . 144.64 110.81 176.639 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2021 ' ' LEU . . . . . . . . . . . . . 39.0 mt -64.42 -48.41 75.46 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 120.038 -0.665 . . . . 101.34 110.81 176.91 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2022 ' ' ILE . . . . . 0.521 HD12 ' HB2' ' B' 2108 ' ' ARG . 1.8 mm -47.56 -51.49 7.19 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 CA-C-O 121.301 0.572 . . . . 105.35 109.996 178.048 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2023 ' ' VAL . . . . . . . . . . . . . 53.4 t -64.7 -46.44 92.25 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 C-N-CA 120.068 -0.653 . . . . 91.48 110.364 -178.459 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2024 ' ' LEU . . . . . 0.45 HD12 ' HA ' ' B' 2024 ' ' LEU . 0.2 OUTLIER -52.78 -54.54 32.55 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 121.78 -0.575 . . . . 104.12 111.19 175.933 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B 2025 ' ' ASN . . . . . 0.514 ' OD1' ' NH1' ' B' 2105 ' ' ARG . 0.7 OUTLIER -63.18 -33.24 75.06 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 120.49 -0.484 . . . . 92.99 111.042 -177.488 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B 2026 ' ' GLY . . . . . . . . . . . . . . . -61.13 -44.36 98.24 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 119.697 -1.239 . . . . 77.63 111.848 176.331 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2027 ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.65 -47.65 90.31 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 C-N-CA 119.353 -0.939 . . . . 89.79 109.741 174.494 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2028 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.81 -42.66 68.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.15 -0.477 . . . . 92.85 112.151 -179.902 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2029 ' ' MET . . . . . . . . . . . . . 13.5 mtt -71.86 -31.83 66.88 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 118.685 -1.206 . . . . 103.82 111.469 -175.814 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2030 ' ' GLY . . . . . 0.679 ' O ' ' HB ' ' B' 2033 ' ' THR . . . -60.37 -53.57 44.42 Favored Glycine 0 N--CA 1.449 -0.481 0 N-CA-C 110.849 -0.9 . . . . 80.61 110.849 168.569 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2031 ' ' LEU . . . . . . . . . . . . . 88.7 mt -56.22 -43.59 78.71 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 120.517 -0.473 . . . . 83.22 111.768 -179.373 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2032 ' ' GLU . . . . . 0.757 ' CG ' HG21 ' B' 2045 ' ' THR . 50.3 mt-10 -59.21 -6.94 1.03 Allowed 'General case' 0 CA--C 1.515 -0.386 0 C-N-CA 120.276 -0.57 . . . . 115.82 112.436 179.046 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2033 ' ' THR . . . . . 0.679 ' HB ' ' O ' ' B' 2030 ' ' GLY . 0.9 OUTLIER -77.65 -21.85 51.56 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.751 -0.38 . . . . 84.07 111.285 -179.927 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B 2034 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.42 123.2 32.73 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 109.148 -0.686 . . . . 84.62 109.148 -179.118 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2035 ' ' LYS . . . . . . . . . . . . . . . -60.08 -43.26 95.63 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 119.72 -0.792 . . . . 87.77 110.618 173.266 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2036 ' ' THR . . . . . . . . . . . . . 16.2 m -49.26 -61.39 2.11 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.223 0.535 . . . . 111.72 110.17 172.65 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2037 ' ' PHE . . . . . . . . . . . . . 74.5 t80 -52.24 -42.75 63.87 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 119.339 -0.945 . . . . 97.41 111.203 -177.055 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2038 ' ' MET . . . . . 0.608 ' HE2' ' HA ' ' B' 2038 ' ' MET . 9.5 mmt -65.32 -45.94 82.27 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 119.607 -0.837 . . . . 107.25 111.474 -177.04 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2039 ' ' GLN . . . . . . . . . . . . . . . -49.6 -37.92 29.7 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.226 -0.589 . . . . 119.86 110.848 177.205 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2040 ' ' SER . . . . . 0.448 ' HB2' ' CD2' ' B' 2041 ' ' PHE . 3.9 m -88.69 -49.13 7.04 Favored 'General case' 0 C--O 1.209 -1.076 0 C-N-CA 116.615 -2.034 . . . . 130.8 115.381 178.397 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2041 ' ' PHE . . . . . 0.448 ' CD2' ' HB2' ' B' 2040 ' ' SER . 13.2 m-85 -113.68 19.14 17.0 Favored 'General case' 0 CA--C 1.478 -1.809 0 N-CA-C 118.528 2.788 . . . . 133.49 118.528 -175.497 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2042 ' ' GLY . . . . . 0.575 ' HA2' ' HE2' ' B' 2038 ' ' MET . . . -60.19 -40.09 96.8 Favored Glycine 0 C--O 1.211 -1.324 0 C-N-CA 120.031 -1.081 . . . . 113.62 113.629 -177.192 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2043 ' ' VAL . . . . . . . . . . . . . . . -61.05 -46.18 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.101 0 C-N-CA 119.754 -0.778 . . . . 121.87 111.281 -178.178 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2044 ' ' TYR . . . . . . . . . . . . . . . -62.74 -44.22 96.78 Favored 'General case' 0 C--O 1.21 -0.995 0 C-N-CA 119.758 -0.777 . . . . 130.92 111.067 -178.214 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2045 ' ' THR . . . . . 0.757 HG21 ' CG ' ' B' 2032 ' ' GLU . 0.9 OUTLIER -63.38 -39.22 93.93 Favored 'General case' 0 N--CA 1.432 -1.372 0 CA-C-N 115.966 -0.561 . . . . 127.46 112.495 -178.549 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B 2046 ' ' THR . . . . . . . . . . . . . 1.6 m -62.12 -40.12 94.83 Favored 'General case' 0 C--O 1.211 -0.946 0 C-N-CA 119.496 -0.882 . . . . 118.52 109.543 -178.564 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2047 ' ' LEU . . . . . . . . . . . . . . . -67.2 -40.74 86.5 Favored 'General case' 0 C--N 1.318 -0.795 0 O-C-N 122.042 -0.412 . . . . 134.48 110.791 176.686 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2048 ' ' PHE . . . . . . . . . . . . . 76.3 t80 -59.98 -37.92 81.06 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 119.142 -1.023 . . . . 117.64 110.537 178.294 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2049 ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -61.61 -48.49 80.69 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 119.835 -0.746 . . . . 105.85 110.722 174.806 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2050 ' ' GLN . . . . . 0.651 ' O ' HG22 ' B' 2053 ' ' ILE . . . -57.03 -44.26 82.71 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 119.678 -0.809 . . . . 117.76 110.82 178.761 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2051 ' ' ILE . . . . . . . . . . . . . 44.3 mt -59.37 -58.65 6.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 CA-C-O 121.328 0.585 . . . . 112.54 110.107 179.573 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2052 ' ' VAL . . . . . . . . . . . . . 36.7 t -49.96 -43.99 20.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-O 121.138 0.494 . . . . 99.66 110.583 179.233 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2053 ' ' ILE . . . . . 0.651 HG22 ' O ' ' B' 2050 ' ' GLN . 0.2 OUTLIER -67.55 -34.44 68.34 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 C-N-CA 119.46 -0.896 . . . . 108.42 110.49 -176.359 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B 2054 ' ' THR . . . . . . . . . . . . . 62.1 m -66.45 -48.5 69.75 Favored 'General case' 0 C--O 1.237 0.425 0 O-C-N 122.043 -0.411 . . . . 114.53 110.697 175.368 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2055 ' ' ILE . . . . . . . . . . . . . 46.4 mt -56.4 -42.3 74.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 C-N-CA 120.323 -0.551 . . . . 101.41 110.142 177.785 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2056 ' ' PHE . . . . . . . . . . . . . 11.2 m-30 -66.45 -42.59 87.4 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 119.035 -1.066 . . . . 108.69 111.022 -179.357 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2057 ' ' THR . . . . . . . . . . . . . 63.2 m -55.61 -49.73 72.02 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 119.51 -0.876 . . . . 105.37 110.319 174.835 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2058 ' ' ILE . . . . . . . . . . . . . 30.6 mm -55.72 -43.52 73.84 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-O 121.183 0.516 . . . . 107.85 110.234 177.326 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2059 ' ' GLU . . . . . 0.512 ' HG3' ' CZ ' ' B' 2014 ' ' PHE . 3.6 tt0 -63.4 -45.49 90.77 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.55 -0.46 . . . . 104.82 110.875 -177.481 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2060 ' ' ILE . . . . . 0.473 ' O ' HG13 ' B' 2064 ' ' ILE . 21.9 mm -57.93 -46.54 87.56 Favored 'Isoleucine or valine' 0 C--O 1.238 0.497 0 CA-C-O 121.542 0.687 . . . . 91.56 109.994 177.187 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2061 ' ' ILE . . . . . . . . . . . . . 74.7 mt -58.46 -48.29 85.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 CA-C-O 121.304 0.573 . . . . 97.18 110.253 -179.646 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2062 ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.06 -45.11 96.09 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 119.402 -0.919 . . . . 108.33 110.65 178.306 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2063 ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -62.88 -31.7 72.8 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 119.898 -0.721 . . . . 99.9 111.521 -177.551 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2064 ' ' ILE . . . . . 0.473 HG13 ' O ' ' B' 2060 ' ' ILE . 55.4 mt -71.32 -45.11 71.5 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 C-N-CA 119.176 -1.01 . . . . 104.54 110.579 175.868 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2065 ' ' TYR . . . . . . . . . . . . . . . -58.27 -41.02 83.37 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 119.592 -0.843 . . . . 118.74 111.571 177.876 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2066 ' ' VAL . . . . . . . . . . . . . 69.1 t -71.72 -43.01 70.66 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.523 0 N-CA-C 115.61 1.707 . . . . 103.04 115.61 176.129 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2067 ' ' HIS . . . . . . . . . . . . . 42.0 m80 -92.55 -15.3 27.14 Favored 'General case' 0 CA--C 1.488 -1.437 0 N-CA-C 114.804 1.409 . . . . 101.71 114.804 -176.62 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2068 ' ' ARG . . . . . . . . . . . . . . . 53.69 -134.42 1.63 Allowed 'General case' 0 C--O 1.198 -1.65 0 N-CA-C 113.33 0.863 . . . . 104.77 113.33 178.564 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2069 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -61.79 -42.76 95.72 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.44 0 C-N-CA 119.851 -0.74 . . . . 120.06 112.664 -177.15 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2070 ' ' SER . . . . . . . . . . . . . 58.8 m -43.48 -29.93 0.51 Allowed 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 112.128 0.418 . . . . 129.49 112.128 178.491 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2071 ' ' PHE . . . . . 0.502 ' CE2' ' HB3' ' B' 2077 ' ' SER . 33.3 t80 -59.21 -48.68 80.73 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 120.934 0.397 . . . . 102.06 111.275 -178.074 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2072 ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -80.47 0.36 33.9 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.858 0.688 . . . . 123.35 112.858 -175.833 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2073 ' ' LYS . . . . . . . . . . . . . . . -99.14 6.91 46.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 118.039 0.381 . . . . 107.41 111.45 169.971 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2074 ' ' ASP . . . . . . . . . . . . . 14.6 t70 -112.35 112.56 51.81 Favored Pre-proline 0 C--O 1.243 0.725 0 C-N-CA 123.097 0.559 . . . . 107.36 110.369 -172.853 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2075 ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -56.74 -37.26 98.27 Favored 'Trans proline' 0 C--O 1.24 0.624 0 CA-C-N 119.219 0.757 . . . . 100.89 113.484 -172.305 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2076 ' ' TRP . . . . . . . . . . . . . 32.0 m95 -66.03 -43.99 86.0 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 120.37 -0.532 . . . . 92.96 111.055 -179.091 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2077 ' ' SER . . . . . 0.502 ' HB3' ' CE2' ' B' 2071 ' ' PHE . 63.5 m -67.57 -41.15 84.64 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 120.46 -0.496 . . . . 81.63 111.446 179.659 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2078 ' ' LEU . . . . . . . . . . . . . 66.3 mt -53.51 -49.33 67.8 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.236 -0.586 . . . . 102.73 110.166 172.427 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2079 ' ' PHE . . . . . 0.685 ' CD1' ' H25' ' B' 2304 ' ' PX4 . 77.2 t80 -55.25 -55.4 31.84 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 119.257 -0.977 . . . . 90.59 110.355 177.535 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2080 ' ' ASP . . . . . 0.422 ' O ' HG23 ' B' 2084 ' ' VAL . 53.3 m-20 -51.66 -40.83 60.72 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 120.168 -0.613 . . . . 114.3 110.269 178.79 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2081 ' ' PHE . . . . . . . . . . . . . 43.1 t80 -63.1 -60.75 3.01 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.319 -0.4 . . . . 98.94 110.504 179.106 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2082 ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -54.87 -40.31 69.58 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 120.174 -0.61 . . . . 135.25 111.086 -175.869 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2083 ' ' VAL . . . . . 0.857 HG11 ' HA ' ' B' 2105 ' ' ARG . 40.3 t -73.31 -38.47 53.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 119.332 -0.947 . . . . 91.08 111.382 -174.865 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2084 ' ' VAL . . . . . 0.422 HG23 ' O ' ' B' 2080 ' ' ASP . 86.8 t -66.16 -39.52 84.57 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 C-N-CA 118.194 -1.402 . . . . 97.59 109.728 175.237 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2085 ' ' ALA . . . . . 0.543 ' O ' ' HB2' ' B' 2088 ' ' LEU . . . -59.49 -45.89 90.4 Favored 'General case' 0 C--O 1.238 0.455 0 O-C-N 122.107 -0.371 . . . . 96.25 111.457 -178.654 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2086 ' ' ILE . . . . . . . . . . . . . 34.4 mt -49.0 -48.91 16.26 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 CA-C-O 121.275 0.56 . . . . 104.56 110.032 174.702 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2087 ' ' SER . . . . . 0.494 ' HA ' ' HG2' ' B' 2102 ' ' ARG . 73.8 m -66.11 -0.76 2.64 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 111.983 0.364 . . . . 119.24 111.983 -176.905 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2088 ' ' LEU . . . . . 0.543 ' HB2' ' O ' ' B' 2085 ' ' ALA . 7.2 mt -97.76 -27.43 14.33 Favored 'General case' 0 N--CA 1.428 -1.56 0 O-C-N 124.5 1.125 . . . . 113.98 112.955 -177.531 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2089 ' ' VAL . . . . . 0.867 ' CG1' ' HD2' ' B' 2090 ' ' PRO . 97.8 t -60.85 133.72 92.22 Favored Pre-proline 0 N--CA 1.443 -0.817 0 N-CA-C 107.364 -1.347 . . . . 154.66 107.364 -179.221 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2090 ' ' PRO . . . . . 0.867 ' HD2' ' CG1' ' B' 2089 ' ' VAL . 89.4 Cg_endo -59.12 136.94 76.29 Favored 'Trans proline' 0 CA--C 1.496 -1.405 0 C-N-CA 122.329 2.019 . . . . 147.96 113.681 -174.511 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2091 ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.446 -0.657 0 CA-C-N 112.87 -1.968 . . . . 163.57 110.035 -179.976 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2096 ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.21 -1.011 0 N-CA-C 105.406 -2.072 . . . . 145.87 105.406 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2097 ' ' ILE . . . . . . . . . . . . . . . -64.7 -35.83 75.93 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.44 0 C-N-CA 123.558 0.743 . . . . 94.02 109.471 175.873 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2098 ' ' LEU . . . . . . . . . . . . . 48.9 mt -56.84 -36.48 70.05 Favored 'General case' 0 C--O 1.201 -1.486 0 C-N-CA 123.948 0.899 . . . . 113.88 113.348 -178.653 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2099 ' ' ARG . . . . . . . . . . . . . . . -60.57 -39.34 87.64 Favored 'General case' 0 C--O 1.199 -1.565 0 CA-C-N 120.161 1.346 . . . . 88.21 110.791 177.56 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2100 ' ' VAL . . . . . . . . . . . . . 75.3 t -73.1 -35.2 47.29 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.922 0 O-C-N 122.054 -0.404 . . . . 72.6 111.647 176.474 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2101 ' ' LEU . . . . . . . . . . . . . 44.6 mt -68.09 -14.44 62.97 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 119.243 -0.983 . . . . 86.3 112.206 -179.918 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2102 ' ' ARG . . . . . 0.494 ' HG2' ' HA ' ' B' 2087 ' ' SER . 93.8 mtt180 -56.79 -29.25 62.51 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.262 -0.575 . . . . 126.82 111.909 174.145 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2103 ' ' VAL . . . . . . . . . . . . . 4.2 p -65.45 -20.52 27.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 118.46 -1.296 . . . . 92.78 110.65 -178.987 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2104 ' ' LEU . . . . . . . . . . . . . 28.4 mt -57.34 -22.58 43.19 Favored 'General case' 0 C--N 1.337 0.065 0 N-CA-C 112.036 0.384 . . . . 78.58 112.036 177.484 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2105 ' ' ARG . . . . . 0.857 ' HA ' HG11 ' B' 2083 ' ' VAL . 7.7 ptp85 -57.17 -20.64 27.63 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 120.194 -0.603 . . . . 110.8 112.167 175.618 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2106 ' ' LEU . . . . . . . . . . . . . 62.5 mt -70.24 -18.15 63.14 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 118.449 -1.3 . . . . 87.69 111.611 178.383 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2107 ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -67.14 -15.24 63.59 Favored 'General case' 0 CA--C 1.514 -0.412 0 C-N-CA 118.592 -1.243 . . . . 79.07 112.06 172.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2108 ' ' ARG . . . . . 0.521 ' HB2' HD12 ' B' 2022 ' ' ILE . 48.1 mtp180 -55.79 -21.9 21.72 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 119.083 -1.047 . . . . 97.87 111.457 172.657 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2109 ' ' LEU . . . . . . . . . . . . . 17.8 tp -60.8 -33.48 73.06 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 119.341 -0.944 . . . . 101.38 110.823 174.02 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2110 ' ' VAL . . . . . 0.45 HG13 ' HB3' ' B' 2116 ' ' MET . 49.9 t -67.76 -52.35 41.11 Favored 'Isoleucine or valine' 0 C--O 1.239 0.5 0 CA-C-O 120.89 0.376 . . . . 92.79 110.229 172.819 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2111 ' ' THR . . . . . . . . . . . . . 18.7 p -60.58 -28.27 68.34 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 119.566 -0.853 . . . . 90.98 111.915 -178.18 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2112 ' ' ALA . . . . . . . . . . . . . . . -94.63 -9.72 34.13 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 113.463 0.912 . . . . 87.04 113.463 -174.611 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2113 ' ' VAL . . . . . 0.527 HG12 ' HG2' ' B' 2115 ' ' GLN . 91.6 t -110.51 119.17 47.3 Favored Pre-proline 0 C--O 1.25 1.113 0 CA-C-N 119.605 1.093 . . . . 102.34 108.552 -178.921 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2114 ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -57.83 -38.22 93.48 Favored 'Trans proline' 0 CA--C 1.485 -1.933 0 C-N-CA 121.319 1.346 . . . . 101.51 112.89 -174.73 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2115 ' ' GLN . . . . . 0.69 ' H ' HE21 ' B' 2115 ' ' GLN . 0.0 OUTLIER -63.73 -40.91 97.91 Favored 'General case' 0 C--O 1.208 -1.126 0 C-N-CA 118.947 -1.101 . . . . 124.16 110.467 178.603 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B 2116 ' ' MET . . . . . 0.45 ' HB3' HG13 ' B' 2110 ' ' VAL . 12.4 mmt -63.28 -48.66 77.22 Favored 'General case' 0 C--O 1.198 -1.657 0 C-N-CA 119.976 -0.69 . . . . 129.79 111.243 178.975 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2117 ' ' ARG . . . . . . . . . . . . . 33.9 mtt180 -45.56 -50.51 12.98 Favored 'General case' 0 C--N 1.318 -0.774 0 O-C-N 121.599 -0.688 . . . . 144.01 110.444 175.953 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2118 ' ' LYS . . . . . . . . . . . . . . . -61.54 -45.3 94.74 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 116.125 -0.489 . . . . 90.02 110.976 -172.368 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2119 ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -55.61 -54.07 29.86 Favored 'Isoleucine or valine' 0 C--O 1.238 0.479 0 CA-C-O 121.706 0.765 . . . . 105.24 110.24 174.498 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2120 ' ' VAL . . . . . 0.445 HG21 HG11 ' B' 2110 ' ' VAL . 74.2 t -61.42 -42.33 93.36 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.391 0 C-N-CA 119.8 -0.76 . . . . 78.52 110.043 -174.956 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2121 ' ' SER . . . . . . . . . . . . . 57.9 m -60.83 -46.91 88.7 Favored 'General case' 0 CA--C 1.511 -0.553 0 C-N-CA 120.288 -0.565 . . . . 95.95 110.958 176.367 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2122 ' ' ALA . . . . . . . . . . . . . . . -57.79 -51.34 69.96 Favored 'General case' 0 CA--C 1.506 -0.748 0 C-N-CA 119.18 -1.008 . . . . 80.68 109.702 178.271 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2123 ' ' LEU . . . . . . . . . . . . . 87.5 mt -56.54 -48.75 76.61 Favored 'General case' 0 C--O 1.237 0.437 0 O-C-N 120.745 -1.222 . . . . 84.13 111.235 -177.322 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2124 ' ' ILE . . . . . 0.409 HD12 HG12 ' B' 2120 ' ' VAL . 22.1 mt -64.58 -29.49 47.51 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 O-C-N 122.28 -0.262 . . . . 109.54 111.237 -178.493 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2125 ' ' SER . . . . . 0.492 ' O ' ' HD2' ' B' 2128 ' ' PRO . 86.1 p -65.49 -24.19 67.08 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.296 -0.562 . . . . 84.68 112.167 -168.095 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2126 ' ' VAL . . . . . 0.74 HG12 ' H16' ' B' 2307 ' ' CPS . 0.4 OUTLIER -73.45 -14.36 16.56 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 C-N-CA 119.799 -0.76 . . . . 102.72 111.752 177.66 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B 2127 ' ' ILE . . . . . . . . . . . . . 12.4 mt -70.97 -44.49 14.5 Favored Pre-proline 0 C--O 1.238 0.477 0 N-CA-C 112.305 0.483 . . . . 86.84 112.305 -168.112 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2128 ' ' PRO . . . . . 0.492 ' HD2' ' O ' ' B' 2125 ' ' SER . 78.5 Cg_exo -49.2 -42.16 40.29 Favored 'Trans proline' 0 N--CA 1.475 0.4 0 CA-C-N 120.386 1.174 . . . . 94.41 113.924 -177.5 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2129 ' ' GLY . . . . . . . . . . . . . . . -74.89 -13.31 82.59 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 114.917 0.727 . . . . 104.76 114.917 179.29 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2130 ' ' MET . . . . . . . . . . . . . 31.2 mtp -88.57 -8.87 54.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 117.868 0.834 . . . . 95.7 112.811 179.493 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2131 ' ' LEU . . . . . . . . . . . . . 66.7 mt -61.28 -36.27 79.59 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 112.266 0.469 . . . . 110.15 112.266 -166.69 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2132 ' ' SER . . . . . . . . . . . . . 53.7 p -76.07 -33.98 59.56 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 116.881 -1.928 . . . . 102.06 111.117 -176.823 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2133 ' ' VAL . . . . . 0.473 HG23 ' O ' ' B' 2401 ' ' HOH . 61.0 t -64.72 -38.98 84.07 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 CA-C-O 121.221 0.534 . . . . 91.97 110.3 172.454 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2134 ' ' ILE . . . . . . . . . . . . . 77.4 mt -63.64 -46.97 93.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-O 121.301 0.572 . . . . 85.7 110.01 175.235 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2135 ' ' ALA . . . . . . . . . . . . . . . -54.8 -48.09 73.18 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 121.944 -0.472 . . . . 75.56 111.088 174.847 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2136 ' ' LEU . . . . . . . . . . . . . 42.5 tp -56.0 -50.24 71.4 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.301 0.572 . . . . 101.14 111.279 177.862 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2137 ' ' MET . . . . . . . . . . . . . 41.4 mmm -64.06 -41.29 97.42 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 120.027 -0.669 . . . . 107.76 110.792 -178.032 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2138 ' ' THR . . . . . . . . . . . . . 91.2 m -60.09 -44.99 94.39 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 121.005 0.431 . . . . 77.71 110.489 178.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2139 ' ' LEU . . . . . . . . . . . . . 67.2 tp -58.59 -42.0 87.04 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 119.532 -0.867 . . . . 74.02 110.156 173.042 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2140 ' ' PHE . . . . . . . . . . . . . 84.1 t80 -61.14 -48.21 82.67 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 120.915 0.388 . . . . 66.53 110.486 -177.629 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2141 ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -58.83 -42.42 89.23 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.704 -0.399 . . . . 70.7 110.726 175.875 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2142 ' ' TYR . . . . . . . . . . . . . 77.0 t80 -60.16 -45.32 93.48 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 120.626 -0.43 . . . . 78.31 110.608 -174.623 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2143 ' ' ILE . . . . . . . . . . . . . 43.2 mt -65.82 -44.76 92.81 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.713 0 CA-C-N 115.208 -0.906 . . . . 69.41 112.646 179.281 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2144 ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -67.07 -37.43 84.0 Favored 'General case' 0 C--O 1.195 -1.777 0 C-N-CA 120.463 -0.495 . . . . 78.0 111.71 178.302 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2145 ' ' ALA . . . . . . . . . . . . . . . -61.96 -43.39 98.94 Favored 'General case' 0 C--O 1.19 -2.036 0 CA-C-O 119.166 -0.445 . . . . 65.87 110.161 178.196 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2146 ' ' ILE . . . . . . . . . . . . . 67.8 mt -63.47 -45.59 97.46 Favored 'Isoleucine or valine' 0 C--O 1.179 -2.634 0 C-N-CA 120.097 -0.641 . . . . 69.47 110.531 178.507 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2147 ' ' MET . . . . . . . . . . . . . 37.4 mtp -62.67 -37.75 87.65 Favored 'General case' 0 C--N 1.308 -1.207 0 C-N-CA 119.242 -0.983 . . . . 81.27 111.417 178.444 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2148 ' ' ALA . . . . . . . . . . . . . . . -71.13 -35.64 71.8 Favored 'General case' 0 C--O 1.239 0.545 0 C-N-CA 119.204 -0.998 . . . . 68.88 110.16 -175.13 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2149 ' ' THR . . . . . . . . . . . . . 96.4 m -60.82 -45.03 96.04 Favored 'General case' 0 CA--C 1.514 -0.44 0 C-N-CA 120.391 -0.523 . . . . 66.89 110.425 176.235 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2150 ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -70.43 -37.3 74.37 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 116.479 -0.328 . . . . 99.23 111.443 -179.057 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2151 ' ' LEU . . . . . . . . . . . . . 60.2 mt -77.83 -36.66 49.84 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 118.759 -1.176 . . . . 68.76 111.543 -175.24 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2152 ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -126.28 -7.64 6.44 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 114.366 1.247 . . . . 61.27 114.366 -165.526 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2153 ' ' GLY . . . . . . . . . . . . . . . -70.71 -29.58 69.37 Favored Glycine 0 C--N 1.337 0.609 0 C-N-CA 119.944 -1.122 . . . . 64.33 112.964 -168.534 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2154 ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -67.47 -45.52 75.71 Favored 'General case' 0 C--O 1.242 0.705 0 CA-C-O 121.224 0.535 . . . . 141.52 110.978 -178.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2155 ' ' ARG . . . . . 0.676 HH21 ' H5 ' ' B' 2303 ' ' PX4 . 8.9 mmt180 -89.79 -18.88 25.46 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 114.248 1.203 . . . . 100.08 114.248 -177.255 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2156 ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -132.58 61.84 59.26 Favored Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 109.43 -0.581 . . . . 60.16 109.43 -179.358 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2157 ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -59.75 -35.49 94.35 Favored 'Trans proline' 0 N--CA 1.475 0.404 0 N-CA-C 114.659 0.984 . . . . 65.34 114.659 -173.255 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2158 ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -61.6 -40.24 94.11 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 118.861 -1.135 . . . . 84.57 110.619 -178.023 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2159 ' ' TRP . . . . . . . . . . . . . 31.3 m0 -89.79 -27.98 19.63 Favored 'General case' 0 C--O 1.24 0.603 0 N-CA-C 113.205 0.817 . . . . 64.16 113.205 -176.725 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2160 ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -143.08 14.79 1.88 Allowed 'General case' 0 C--O 1.237 0.427 0 C-N-CA 118.733 -1.187 . . . . 56.27 113.145 -172.074 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2161 ' ' GLY . . . . . . . . . . . . . . . -68.85 -15.64 69.34 Favored Glycine 0 C--N 1.337 0.601 0 C-N-CA 118.3 -1.905 . . . . 75.6 113.766 -172.497 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2162 ' ' THR . . . . . 0.816 HG22 ' H ' ' B' 2165 ' ' GLU . 0.4 OUTLIER -145.41 145.93 31.33 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 106.846 -1.539 . . . . 83.32 106.846 -169.596 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B 2163 ' ' LEU . . . . . . . . . . . . . 21.9 tp -47.15 -42.5 19.65 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.293 -0.563 . . . . 73.79 111.504 177.747 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2164 ' ' GLY . . . . . 0.473 ' H ' HG23 ' B' 2162 ' ' THR . . . -68.13 -40.86 87.97 Favored Glycine 0 C--N 1.332 0.326 0 C-N-CA 119.702 -1.237 . . . . 63.23 113.098 -178.559 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2165 ' ' GLU . . . . . 0.816 ' H ' HG22 ' B' 2162 ' ' THR . 28.4 mt-10 -62.72 -43.23 99.33 Favored 'General case' 0 C--O 1.236 0.357 0 O-C-N 122.079 -0.66 . . . . 106.71 111.232 174.793 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2166 ' ' SER . . . . . . . . . . . . . 55.1 m -60.18 -41.4 92.8 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 120.222 -0.591 . . . . 63.65 110.971 175.788 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2167 ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -57.3 -49.98 74.37 Favored 'General case' 0 CA--C 1.508 -0.664 0 C-N-CA 119.551 -0.859 . . . . 75.78 109.55 176.651 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2168 ' ' TYR . . . . . . . . . . . . . 72.4 t80 -56.48 -52.04 66.21 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-N 115.562 -0.744 . . . . 57.55 110.492 -179.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2169 ' ' THR . . . . . . . . . . . . . 89.5 m -61.04 -43.67 98.55 Favored 'General case' 0 C--O 1.244 0.8 0 C-N-CA 119.455 -0.898 . . . . 58.38 110.534 -176.587 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2170 ' ' LEU . . . . . . . . . . . . . 33.0 mt -59.58 -39.11 83.04 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 119.709 -0.796 . . . . 61.9 111.478 177.75 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2171 ' ' PHE . . . . . . . . . . . . . 82.4 t80 -61.61 -38.22 86.8 Favored 'General case' 0 CA--C 1.511 -0.554 0 C-N-CA 117.097 -1.841 . . . . 64.97 110.492 174.961 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2172 ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -64.45 -42.21 96.08 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 119.712 -0.795 . . . . 58.32 110.155 179.746 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2173 ' ' VAL . . . . . . . . . . . . . 94.7 t -60.02 -40.34 82.86 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.632 0 CA-C-N 116.501 -0.318 . . . . 58.8 110.336 177.165 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2174 ' ' MET . . . . . 0.655 ' HG3' HG11 ' B' 2205 ' ' VAL . 51.3 ttp -62.97 -38.82 92.66 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 119.308 -0.957 . . . . 71.2 111.656 179.839 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2175 ' ' THR . . . . . . . . . . . . . 28.8 p -75.82 -1.82 27.03 Favored 'General case' 0 CA--C 1.51 -0.564 0 C-N-CA 115.388 -2.525 . . . . 66.63 111.526 176.345 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2176 ' ' LEU . . . . . . . . . . . . . 84.4 mt 73.07 14.35 4.69 Favored 'General case' 0 C--O 1.239 0.5 0 C-N-CA 123.282 0.633 . . . . 59.37 111.915 176.188 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2177 ' ' GLU . . . . . 0.548 ' OE1' ' OG ' ' B' 2178 ' ' SER . 0.7 OUTLIER -79.07 111.84 15.68 Favored 'General case' 0 C--O 1.24 0.597 0 N-CA-C 109.772 -0.455 . . . . 73.38 109.772 -175.389 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B 2178 ' ' SER . . . . . 0.548 ' OG ' ' OE1' ' B' 2177 ' ' GLU . 6.7 m 51.66 27.77 4.28 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 122.652 0.381 . . . . 64.2 111.849 178.371 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2179 ' ' TRP . . . . . . . . . . . . . 42.6 p-90 -62.45 -34.13 76.19 Favored 'General case' 0 C--O 1.24 0.592 0 C-N-CA 118.332 -1.347 . . . . 55.39 111.289 -172.418 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2180 ' ' SER . . . . . . . . . . . . . 38.4 t -92.13 -60.42 1.85 Allowed 'General case' 0 C--O 1.235 0.316 0 C-N-CA 119.176 -1.01 . . . . 53.33 112.673 -177.164 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2181 ' ' MET . . . . . . . . . . . . . 78.2 mmm -64.03 -31.76 73.07 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 118.682 -1.207 . . . . 63.22 110.563 -178.293 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2182 ' ' GLY . . . . . 0.657 ' C ' HD12 ' B' 2183 ' ' ILE . . . -92.17 -27.62 15.44 Favored Glycine 0 N--CA 1.441 -0.977 0 C-N-CA 118.492 -1.813 . . . . 65.31 113.784 -173.023 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2183 ' ' ILE . . . . . 0.657 HD12 ' C ' ' B' 2182 ' ' GLY . 1.7 mp -124.47 -57.41 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-N 119.141 1.471 . . . . 73.28 111.734 -173.096 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2184 ' ' VAL . . . . . . . . . . . . . 59.3 t -77.24 -39.63 28.71 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 C-N-CA 118.739 -1.185 . . . . 58.53 110.841 -165.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2185 ' ' ARG . . . . . . . . . . . . . 83.5 mtt-85 -61.41 -45.54 94.54 Favored Pre-proline 0 C--O 1.253 1.263 0 C-N-CA 117.613 -1.635 . . . . 58.52 111.495 175.436 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2186 ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -59.23 -43.09 44.1 Favored 'Trans proline' 0 N--CA 1.48 0.724 0 CA-C-N 121.602 1.608 . . . . 60.35 111.37 174.076 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2187 ' ' LEU . . . . . . . . . . . . . 1.1 mp -57.1 -41.63 79.29 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 120.995 -1.065 . . . . 61.78 111.303 176.948 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2188 ' ' MET . . . . . . . . . . . . . 68.0 mtm -68.56 -17.76 64.2 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 119.964 -0.694 . . . . 73.49 112.597 -174.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2189 ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -67.24 -21.44 65.73 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 120.319 -0.552 . . . . 113.87 111.79 175.567 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2190 ' ' VAL . . . . . . . . . . . . . 73.7 t -109.67 -32.23 2.35 Favored 'Isoleucine or valine' 0 C--O 1.243 0.736 0 CA-C-O 119.046 -0.502 . . . . 66.54 111.53 173.329 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2191 ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -125.69 84.62 60.28 Favored Pre-proline 0 C--N 1.321 -0.637 0 N-CA-C 106.785 -1.561 . . . . 68.7 106.785 -173.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2192 ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -51.68 -28.84 31.08 Favored 'Trans proline' 0 CA--C 1.505 -0.946 0 C-N-CA 120.398 0.732 . . . . 67.28 113.033 -173.539 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2193 ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -92.56 13.6 19.35 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 113.217 0.821 . . . . 98.06 113.217 179.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2194 ' ' ALA . . . . . . . . . . . . . . . -52.04 -30.56 26.06 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 117.392 -1.723 . . . . 67.42 111.124 175.9 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2195 ' ' TRP . . . . . . . . . . . . . 65.6 p-90 -63.57 -24.87 67.99 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 119.623 -0.831 . . . . 67.55 111.672 -176.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2196 ' ' VAL . . . . . 0.416 HG12 ' O ' ' B' 2196 ' ' VAL . 97.8 t -70.5 -17.13 20.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-N 118.593 0.633 . . . . 80.76 110.998 -178.064 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2197 ' ' PHE . . . . . . . . . . . . . 56.1 t80 -91.44 -44.41 9.14 Favored 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 123.727 0.811 . . . . 70.59 110.467 179.546 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2198 ' ' PHE . . . . . 0.674 ' O ' HG13 ' B' 2202 ' ' ILE . 89.0 m-85 -90.08 -27.36 19.72 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 114.535 1.309 . . . . 69.29 114.535 -170.241 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2199 ' ' ILE . . . . . 0.667 ' HB ' ' HD3' ' B' 2200 ' ' PRO . 2.1 mm -67.71 -58.69 7.87 Favored Pre-proline 0 C--O 1.24 0.578 0 N-CA-C 105.587 -2.005 . . . . 80.18 105.587 178.683 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2200 ' ' PRO . . . . . 0.667 ' HD3' ' HB ' ' B' 2199 ' ' ILE . 77.1 Cg_exo -52.24 -46.41 32.94 Favored 'Trans proline' 0 CA--C 1.51 -0.707 0 CA-C-N 119.083 0.708 . . . . 72.82 112.194 179.255 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2201 ' ' PHE . . . . . . . . . . . . . 76.0 t80 -50.54 -46.05 57.18 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 120.062 -0.655 . . . . 66.98 110.993 172.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2202 ' ' ILE . . . . . 0.674 HG13 ' O ' ' B' 2198 ' ' PHE . 55.2 mt -66.16 -33.28 62.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 C-N-CA 117.641 -1.624 . . . . 65.84 110.421 -179.079 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2203 ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -67.25 -51.03 58.07 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 119.934 -0.706 . . . . 90.3 109.793 -177.197 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2204 ' ' VAL . . . . . . . . . . . . . 53.9 t -53.98 -53.98 23.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 CA-C-O 122.016 0.912 . . . . 72.18 110.057 -179.608 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2205 ' ' VAL . . . . . 0.655 HG11 ' HG3' ' B' 2174 ' ' MET . 2.1 t -65.89 -42.1 91.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 C-N-CA 119.242 -0.983 . . . . 82.59 110.806 -166.87 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2206 ' ' SER . . . . . . . . . . . . . 20.2 m -65.65 -45.5 82.74 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 121.989 -0.444 . . . . 66.15 111.064 179.878 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2207 ' ' PHE . . . . . . . . . . . . . 83.2 t80 -60.05 -40.27 88.84 Favored 'General case' 0 N--CA 1.442 -0.836 0 O-C-N 122.27 -0.269 . . . . 86.69 110.729 177.564 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2208 ' ' VAL . . . . . . . . . . . . . 39.1 t -65.82 -40.86 88.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 120.896 0.379 . . . . 72.96 110.504 177.297 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2209 ' ' MET . . . . . . . . . . . . . 23.0 mmt -62.32 -46.57 88.13 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 119.264 -0.974 . . . . 123.99 110.865 179.704 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2210 ' ' ILE . . . . . . . . . . . . . 82.8 mt -65.67 -45.63 91.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 C-N-CA 120.234 -0.586 . . . . 81.52 110.489 -177.354 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2211 ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -62.0 -32.14 72.58 Favored 'General case' 0 N--CA 1.445 -0.686 0 O-C-N 122.287 -0.258 . . . . 102.27 111.231 179.734 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2212 ' ' LEU . . . . . 0.432 HD22 HG11 ' B' 2133 ' ' VAL . 1.7 tp -64.57 -43.7 93.05 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 119.993 -0.683 . . . . 95.2 110.951 176.101 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2213 ' ' VAL . . . . . . . . . . . . . 87.4 t -64.45 -42.33 94.94 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 C-N-CA 120.409 -0.516 . . . . 82.62 110.679 175.519 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2214 ' ' VAL . . . . . . . . . . . . . 37.9 t -64.02 -44.05 97.73 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.288 0 O-C-N 121.834 -0.541 . . . . 89.17 110.178 -175.981 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2215 ' ' ALA . . . . . . . . . . . . . . . -69.94 -26.13 63.98 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 111.818 0.303 . . . . 91.8 111.818 -176.028 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2216 ' ' ILE . . . . . . . . . . . . . 74.0 mt -67.79 -53.65 29.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 C-N-CA 120.102 -0.639 . . . . 96.56 110.103 174.164 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2217 ' ' ILE . . . . . 0.797 ' O ' ' HG2' ' B' 2221 ' ' MET . 54.4 mt -57.53 -49.52 80.14 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 C-N-CA 119.971 -0.691 . . . . 91.11 110.358 -179.233 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2218 ' ' VAL . . . . . . . . . . . . . 91.5 t -75.14 -39.3 43.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 C-N-CA 119.162 -1.015 . . . . 101.85 111.2 -168.423 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2219 ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -68.93 -29.05 67.22 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 118.23 -1.388 . . . . 106.23 111.272 175.145 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2220 ' ' ALA . . . . . . . . . . . . . . . -59.67 -54.48 45.92 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 119.484 -0.886 . . . . 96.26 110.295 171.646 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2221 ' ' MET . . . . . 0.797 ' HG2' ' O ' ' B' 2217 ' ' ILE . 2.8 mmt -62.26 -33.51 74.75 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 121.986 -0.446 . . . . 131.09 111.788 -176.919 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2222 ' ' ALA . . . . . . . . . . . . . . . -61.34 -40.86 95.81 Favored 'General case' 0 C--O 1.242 0.703 0 C-N-CA 120.118 -0.633 . . . . 120.1 110.671 177.35 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2223 ' ' ILE . . . . . . . . . . . . . 57.2 mt -65.62 -46.33 89.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 C-N-CA 120.803 -0.359 . . . . 132.61 110.403 175.179 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2224 ' ' LEU . . . . . . . . . . . . . 88.4 mt -55.46 -37.72 68.14 Favored 'General case' 0 C--O 1.241 0.64 0 C-N-CA 119.267 -0.973 . . . . 124.65 111.052 173.787 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2225 ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -67.75 -40.18 84.14 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 119.478 -0.889 . . . . 134.38 111.806 178.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2226 ' ' GLN . . . . . . . . . . . . . . . -64.9 -43.2 93.65 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 113.162 0.801 . . . . 131.62 113.162 -179.847 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2227 ' ' LYS . . . . . . . . . . . . . . . -63.47 -41.28 98.61 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-O 121.336 0.588 . . . . 157.08 110.412 -179.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2228 ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -63.28 -42.62 99.11 Favored 'General case' 0 C--O 1.204 -1.31 0 CA-C-N 116.003 -0.544 . . . . 163.08 109.878 178.779 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2229 ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -60.16 -47.97 83.67 Favored 'General case' 0 N--CA 1.431 -1.401 0 CA-C-N 116.141 -0.481 . . . . 157.42 110.198 -177.98 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2230 ' ' GLN . . . . . . . . . . . . . . . -60.22 -41.64 93.49 Favored 'General case' 0 N--CA 1.436 -1.146 0 C-N-CA 119.632 -0.827 . . . . 160.84 109.963 -179.872 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2231 ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -61.99 -45.99 91.21 Favored 'General case' 0 C--O 1.212 -0.905 0 C-N-CA 119.434 -0.906 . . . . 172.87 110.081 -178.767 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2232 ' ' ILE . . . . . . . . . . . . . 6.2 mt -65.85 -39.97 86.25 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.263 0 C-N-CA 120.137 -0.625 . . . . 165.37 111.318 -179.537 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2233 ' ' ILE . . . . . . . . . . . . . . . -62.76 -38.12 80.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 C-N-CA 120.127 -0.629 . . . . 190.96 112.089 -179.126 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2234 ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -60.79 -45.1 95.71 Favored 'General case' 0 CA--C 1.495 -1.165 0 C-N-CA 119.726 -0.79 . . . . 203.48 111.216 -178.858 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2235 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.3 -43.58 97.45 Favored 'General case' 0 C--O 1.212 -0.871 0 C-N-CA 119.189 -1.005 . . . . 208.29 109.224 -179.42 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2236 ' ' VAL . . . . . . . . . . . . . . . -62.24 -41.57 91.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 O-C-N 121.733 -0.605 . . . . 194.09 109.557 178.473 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2237 ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -62.51 -42.29 99.41 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 109.416 -0.587 . . . . 197.59 109.416 177.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2238 ' ' SER . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.902 0 N-CA-C 108.96 -0.756 . . . . 207.17 108.96 178.368 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2301 ' ' PX4 . . . . . 0.575 ' O8 ' ' H26' ' B' 2302 ' ' PX4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2302 ' ' PX4 . . . . . 0.575 ' H26' ' O8 ' ' B' 2301 ' ' PX4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2303 ' ' PX4 . . . . . 0.676 ' H5 ' HH21 ' B' 2155 ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2304 ' ' PX4 . . . . . 0.685 ' H25' ' CD1' ' B' 2079 ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2305 ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2306 ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2307 ' ' CPS . . . . . 0.74 ' H16' HG12 ' B' 2126 ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2308 ' ' CPS . . . . . 0.725 ' O4 ' H21B ' B' 2308 ' ' CPS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2309 ' ' CPS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2401 ' ' HOH . . . . . 0.473 ' O ' HG23 ' B' 2133 ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2402 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2403 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2404 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2405 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2406 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2407 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2408 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2409 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2410 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2411 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2412 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2413 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2414 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2415 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2416 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2417 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2418 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2419 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2420 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2421 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2422 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2423 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2424 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2425 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2426 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2427 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2428 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_