data_6mwg_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 6mwg _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 . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 -0.315 0 N-CA-C 110.146 -0.316 . . . . 121.83 110.146 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2000 ' ' HIS . . . . . . . . . . . . . . . -120.24 -58.23 1.87 Allowed 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.914 -0.585 . . . . 125.25 111.322 178.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2001 ' ' MET . . . . . . . . . . . . . . . -60.5 -26.87 67.15 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 119.656 -0.818 . . . . 125.23 110.678 168.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2002 ' ' TYR . . . . . . . . . . . . . 65.3 t80 -57.6 -58.44 8.31 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.074 0.464 . . . . 121.42 110.944 173.864 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2003 ' ' LEU . . . . . . . . . . . . . 66.8 mt -59.55 -29.62 68.05 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 120.366 -0.534 . . . . 101.95 111.891 -177.005 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2004 ' ' ARG . . . . . . . . . . . . . . . -57.93 -53.19 61.01 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 119.694 -0.802 . . . . 96.58 110.553 177.862 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2005 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -74.33 -25.23 19.44 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 C-N-CA 120.006 -0.677 . . . . 109.17 112.072 179.653 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2006 ' ' THR . . . . . . . . . . . . . 22.2 m -66.02 -37.81 86.83 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 119.671 -0.812 . . . . 95.77 111.101 177.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2007 ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -67.2 -32.79 74.09 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 119.204 -0.998 . . . . 113.14 111.101 175.731 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2008 ' ' ILE . . . . . . . . . . . . . 42.4 mm -66.19 -59.09 4.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-O 121.223 0.535 . . . . 90.66 110.257 173.634 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2009 ' ' VAL . . . . . . . . . . . . . 47.4 t -59.81 -29.86 43.92 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 O-C-N 122.079 -0.388 . . . . 96.8 111.364 -173.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2010 ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -89.36 -6.83 56.31 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 113.014 0.746 . . . . 121.82 113.014 -179.487 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2011 ' ' SER . . . . . . . . . . . . . 55.2 p -70.07 151.89 44.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.976 0.893 . . . . 109.24 111.427 -172.794 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2012 ' ' SER . . . . . . . . . . . . . 7.3 t -59.78 -38.3 81.49 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 114.994 -1.003 . . . . 109.64 111.054 174.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2013 ' ' PHE . . . . . . . . . . . . . . . -63.25 -47.53 82.04 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.615 -0.434 . . . . 96.6 111.19 -179.878 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2014 ' ' PHE . . . . . . . . . . . . . 42.7 t80 -51.87 -50.63 60.6 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.644 -0.422 . . . . 92.59 111.166 179.443 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2015 ' ' THR . . . . . . . . . . . . . 95.3 m -67.78 -37.58 82.25 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.064 -0.654 . . . . 102.19 111.23 -176.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2016 ' ' LYS . . . . . . . . . . . . . . . -66.89 -45.93 76.49 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 119.971 -0.692 . . . . 86.39 110.937 179.14 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2017 ' ' PHE . . . . . . . . . . . . . 65.9 t80 -50.4 -52.22 39.37 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 120.861 0.362 . . . . 97.33 111.529 176.319 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2018 ' ' ILE . . . . . . . . . . . . . 40.5 mm -60.94 -40.37 85.18 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 C-N-CA 120.296 -0.562 . . . . 78.22 110.667 -176.811 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2019 ' ' ILE . . . . . . . . . . . . . 72.2 mt -63.49 -44.26 98.69 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 C-N-CA 119.748 -0.781 . . . . 82.74 110.222 177.631 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2020 ' ' TYR . . . . . . . . . . . . . 68.7 t80 -48.43 -51.32 27.39 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 120.833 0.349 . . . . 133.48 111.178 172.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2021 ' ' LEU . . . . . . . . . . . . . 26.3 mt -61.18 -42.13 98.03 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 120.663 -0.415 . . . . 90.72 111.433 179.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2022 ' ' ILE . . . . . . . . . . . . . 91.0 mt -58.38 -44.23 88.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 C-N-CA 120.251 -0.58 . . . . 84.0 110.457 179.61 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2023 ' ' VAL . . . . . . . . . . . . . 52.6 t -68.63 -45.42 81.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 C-N-CA 119.989 -0.684 . . . . 86.82 110.591 -179.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2024 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.99 -56.56 19.23 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.127 0.489 . . . . 93.94 110.91 175.998 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2025 ' ' ASN . . . . . 0.467 ' OD1' ' NH1' ' B' 2105 ' ' ARG . 2.2 t-20 -60.02 -30.18 68.99 Favored 'General case' 0 C--O 1.238 0.487 0 O-C-N 122.223 -0.298 . . . . 95.42 111.636 179.76 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2026 ' ' GLY . . . . . . . . . . . . . . . -66.47 -45.04 88.6 Favored Glycine 0 C--N 1.334 0.435 0 C-N-CA 119.726 -1.226 . . . . 73.94 111.671 175.312 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2027 ' ' ILE . . . . . . . . . . . . . 95.5 mt -57.22 -48.14 82.81 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 CA-C-O 121.436 0.636 . . . . 82.6 110.072 172.67 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2028 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.96 -43.05 77.16 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 116.271 -0.422 . . . . 87.64 111.966 -179.643 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2029 ' ' MET . . . . . . . . . . . . . 29.1 mtt -69.26 -28.36 66.25 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 119.563 -0.855 . . . . 99.66 111.989 -177.011 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2030 ' ' GLY . . . . . . . . . . . . . . . -70.47 -38.42 69.4 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 119.722 -1.228 . . . . 85.67 112.34 170.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2031 ' ' LEU . . . . . . . . . . . . . 2.2 mp -63.73 -44.16 94.38 Favored 'General case' 0 C--O 1.236 0.353 0 O-C-N 122.207 -0.584 . . . . 83.15 111.518 177.429 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2032 ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -57.62 -3.98 0.23 Allowed 'General case' 0 C--O 1.236 0.377 0 N-CA-C 112.803 0.668 . . . . 111.59 112.803 177.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2033 ' ' THR . . . . . . . . . . . . . 1.6 m -79.87 -23.17 42.1 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 118.23 0.468 . . . . 75.21 111.627 177.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2034 ' ' SER . . . . . . . . . . . . . 2.7 t -87.92 122.62 31.75 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 109.276 -0.638 . . . . 85.12 109.276 -177.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2035 ' ' LYS . . . . . . . . . . . . . . . -58.26 -43.24 87.81 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 120.105 -0.638 . . . . 84.52 110.821 173.687 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2036 ' ' THR . . . . . . . . . . . . . 41.0 m -53.19 -55.08 27.14 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.254 -0.578 . . . . 105.54 110.835 175.261 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2037 ' ' PHE . . . . . . . . . . . . . 82.0 t80 -55.77 -44.94 78.17 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.067 -0.653 . . . . 90.03 111.093 -177.761 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2038 ' ' MET . . . . . . . . . . . . . 9.5 mmt -62.68 -38.8 91.81 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.17 -0.612 . . . . 99.3 111.415 -177.395 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2039 ' ' GLN . . . . . . . . . . . . . . . -58.91 -36.79 75.3 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 119.937 -0.705 . . . . 114.58 111.154 179.204 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2040 ' ' SER . . . . . . . . . . . . . 49.1 m -87.3 -50.24 6.72 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 112.38 0.511 . . . . 134.99 112.38 -176.37 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2041 ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -122.43 15.06 10.41 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 112.82 0.674 . . . . 114.69 112.82 -169.228 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2042 ' ' GLY . . . . . . . . . . . . . . . -55.48 -39.07 72.57 Favored Glycine 0 CA--C 1.523 0.564 0 C-N-CA 119.923 -1.132 . . . . 104.03 112.666 178.348 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2043 ' ' VAL . . . . . . . . . . . . . . . -56.19 -49.52 75.72 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 C-N-CA 119.987 -0.685 . . . . 111.85 110.141 179.241 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2044 ' ' TYR . . . . . . . . . . . . . . . -60.44 -50.57 73.05 Favored 'General case' 0 C--O 1.236 0.379 0 O-C-N 121.765 -0.585 . . . . 113.95 111.317 -179.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2045 ' ' THR . . . . . . . . . . . . . 6.6 m -61.81 -34.07 75.26 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 120.408 -0.517 . . . . 118.32 111.974 -174.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2046 ' ' THR . . . . . . . . . . . . . 30.5 m -67.81 -43.2 80.2 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.292 -0.563 . . . . 110.93 111.215 -176.291 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2047 ' ' LEU . . . . . . . . . . . . . . . -66.9 -40.37 87.7 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.338 -0.545 . . . . 118.06 110.894 177.15 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2048 ' ' PHE . . . . . . . . . . . . . 83.7 t80 -59.24 -35.53 73.83 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.082 -0.647 . . . . 104.29 111.093 176.039 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2049 ' ' ASN . . . . . 0.427 ' OD1' ' ND2' ' B' 2025 ' ' ASN . 86.3 m-20 -65.52 -45.48 83.31 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 119.809 -0.756 . . . . 100.88 110.766 174.555 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2050 ' ' GLN . . . . . . . . . . . . . . . -62.37 -40.56 96.84 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 119.732 -0.787 . . . . 101.69 110.843 177.235 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2051 ' ' ILE . . . . . . . . . . . . . 14.3 mt -60.57 -53.46 48.66 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 CA-C-O 121.218 0.532 . . . . 96.83 110.284 177.44 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2052 ' ' VAL . . . . . . . . . . . . . 6.4 t -54.9 -44.68 73.89 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 C-N-CA 120.463 -0.495 . . . . 90.41 110.355 -178.243 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2053 ' ' ILE . . . . . . . . . . . . . 6.4 tt -68.54 -33.63 60.98 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 C-N-CA 119.336 -0.946 . . . . 114.78 110.963 -177.622 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2054 ' ' THR . . . . . . . . . . . . . 64.7 m -61.85 -47.97 82.65 Favored 'General case' 0 C--O 1.237 0.41 0 O-C-N 121.873 -0.517 . . . . 95.29 110.666 173.16 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2055 ' ' ILE . . . . . . . . . . . . . 14.9 mt -59.57 -45.3 94.18 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 C-N-CA 120.543 -0.463 . . . . 89.91 110.194 177.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2056 ' ' PHE . . . . . . . . . . . . . 13.4 m-30 -62.61 -34.72 77.6 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 120.098 -0.641 . . . . 96.63 111.406 178.463 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2057 ' ' THR . . . . . . . . . . . . . 78.7 m -64.5 -48.5 74.94 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 119.854 -0.738 . . . . 91.55 110.87 176.125 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2058 ' ' ILE . . . . . . . . . . . . . 41.6 mm -55.94 -42.68 72.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 CA-C-O 121.148 0.499 . . . . 100.04 110.433 175.163 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2059 ' ' GLU . . . . . 0.524 ' OE1' ' NH2' ' B' 2108 ' ' ARG . 10.5 tt0 -62.04 -52.32 64.43 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 121.934 -0.479 . . . . 110.3 111.05 -178.154 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2060 ' ' ILE . . . . . . . . . . . . . 46.9 mm -54.11 -47.42 66.63 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 CA-C-O 121.117 0.485 . . . . 88.07 110.133 177.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2061 ' ' ILE . . . . . . . . . . . . . 76.2 mt -56.88 -50.41 75.53 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 CA-C-O 121.171 0.51 . . . . 89.33 110.382 178.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2062 ' ' LEU . . . . . . . . . . . . . 73.8 mt -58.59 -43.58 89.56 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 119.989 -0.684 . . . . 94.22 111.036 178.528 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2063 ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -63.85 -31.16 72.25 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.683 -0.407 . . . . 91.25 111.754 -177.471 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2064 ' ' ILE . . . . . . . . . . . . . 95.6 mt -74.71 -41.2 47.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 C-N-CA 120.374 -0.53 . . . . 101.6 110.829 178.716 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2065 ' ' TYR . . . . . . . . . . . . . . . -61.59 -31.73 71.8 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 119.431 -0.908 . . . . 98.92 111.232 175.635 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2066 ' ' VAL . . . . . . . . . . . . . 51.3 t -82.67 -41.77 17.76 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.792 0 C-N-CA 119.673 -0.811 . . . . 97.42 112.673 -179.361 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2067 ' ' HIS . . . . . . . . . . . . . 67.5 m80 -91.38 -12.89 33.56 Favored 'General case' 0 CA--C 1.492 -1.279 0 N-CA-C 114.834 1.42 . . . . 99.61 114.834 -178.111 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2068 ' ' ARG . . . . . . . . . . . . . . . 54.1 -128.77 2.29 Favored 'General case' 0 C--O 1.199 -1.601 0 O-C-N 123.693 0.62 . . . . 103.74 111.977 179.27 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2069 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -39.08 84.13 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.597 0 N-CA-C 113.59 0.959 . . . . 120.92 113.59 -179.618 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2070 ' ' SER . . . . . . . . . . . . . 32.7 m -50.83 -22.71 2.3 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 119.257 -0.401 . . . . 115.99 112.061 179.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2071 ' ' PHE . . . . . . . . . . . . . 28.8 t80 -65.31 -45.22 85.22 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 118.278 0.49 . . . . 92.84 111.211 -179.381 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2072 ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -86.49 -1.85 57.95 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 112.752 0.649 . . . . 111.91 112.752 -175.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2073 ' ' LYS . . . . . . . . . . . . . . . -100.08 12.19 37.53 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 122.906 0.482 . . . . 98.26 111.926 169.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2074 ' ' ASP . . . . . . . . . . . . . 9.5 t70 -118.12 117.82 34.83 Favored Pre-proline 0 C--O 1.245 0.839 0 C-N-CA 124.461 1.105 . . . . 101.92 109.335 -176.089 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2075 ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -64.7 -35.56 45.81 Favored 'Trans proline' 0 C--O 1.238 0.49 0 CA-C-N 119.294 0.783 . . . . 94.04 113.256 -172.782 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2076 ' ' TRP . . . . . . . . . . . . . 47.9 m95 -64.71 -40.5 95.45 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.568 -0.453 . . . . 86.31 111.331 -178.675 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2077 ' ' SER . . . . . . . . . . . . . 33.5 p -79.36 -31.66 43.01 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 119.33 -0.948 . . . . 88.82 111.431 178.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2078 ' ' LEU . . . . . . . . . . . . . 70.2 mt -55.46 -44.58 76.52 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 119.95 -0.7 . . . . 89.53 110.783 169.633 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2079 ' ' PHE . . . . . . . . . . . . . 65.2 t80 -63.83 -47.62 80.05 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.416 -0.514 . . . . 82.73 111.035 177.343 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2080 ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -51.96 -45.3 64.36 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 119.919 -0.713 . . . . 98.39 110.377 174.493 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2081 ' ' PHE . . . . . . . . . . . . . 55.4 t80 -58.33 -60.13 4.25 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 120.892 0.377 . . . . 87.3 110.908 -179.036 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2082 ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -65.13 -33.79 76.85 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 119.456 -0.898 . . . . 116.18 111.699 -174.191 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2083 ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -68.24 -37.51 78.15 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 C-N-CA 120.042 -0.663 . . . . 93.87 110.679 179.205 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2084 ' ' VAL . . . . . . . . . . . . . 76.1 t -75.98 -33.63 25.48 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 C-N-CA 118.651 -1.219 . . . . 91.91 110.46 176.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2085 ' ' ALA . . . . . . . . . . . . . . . -63.48 -45.49 90.52 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 122.069 -0.395 . . . . 91.79 111.498 177.811 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2086 ' ' ILE . . . . . . . . . . . . . 72.9 mt -50.22 -52.56 14.35 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 CA-C-O 121.559 0.695 . . . . 95.8 110.02 174.32 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2087 ' ' SER . . . . . 0.448 ' OG ' ' NH2' ' B' 2105 ' ' ARG . 27.8 t -63.17 -5.35 3.13 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 112.435 0.531 . . . . 107.81 112.435 -177.646 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2088 ' ' LEU . . . . . . . . . . . . . . . -94.27 -23.77 17.71 Favored 'General case' 0 C--O 1.211 -0.926 0 C-N-CA 119.953 -0.699 . . . . 107.71 112.566 -178.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2089 ' ' VAL . . . . . 0.437 ' CG1' ' CD ' ' B' 2090 ' ' PRO . 70.9 t -62.15 132.91 94.0 Favored Pre-proline 0 C--O 1.212 -0.88 0 N-CA-C 107.712 -1.218 . . . . 115.74 107.712 179.256 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2090 ' ' PRO . . . . . 0.437 ' CD ' ' CG1' ' B' 2089 ' ' VAL . 60.8 Cg_endo -64.23 140.58 71.71 Favored 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 122.069 1.846 . . . . 117.33 114.302 -176.899 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2091 ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.321 -0.654 0 CA-C-N 113.535 -1.666 . . . . 140.09 110.255 179.677 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2096 ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.057 0 CA-C-O 120.592 0.234 . . . . 142.66 111.165 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2097 ' ' ILE . . . . . . . . . . . . . 10.9 tt -66.11 -24.35 33.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 C-N-CA 119.609 -0.836 . . . . 99.68 110.411 175.52 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2098 ' ' LEU . . . . . . . . . . . . . 45.4 mt -62.25 -32.94 73.7 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 119.769 -0.772 . . . . 102.85 111.071 175.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2099 ' ' ARG . . . . . . . . . . . . . . . -56.68 -34.23 67.2 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 119.271 -0.972 . . . . 85.27 110.85 174.696 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2100 ' ' VAL . . . . . . . . . . . . . 98.6 t -81.21 -35.46 14.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 C-N-CA 120.33 -0.548 . . . . 75.54 110.85 -179.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2101 ' ' LEU . . . . . . . . . . . . . 25.0 mt -65.31 -11.92 46.58 Favored 'General case' 0 C--O 1.233 0.223 0 O-C-N 121.732 -0.605 . . . . 79.12 112.118 177.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2102 ' ' ARG . . . . . 0.527 ' NH2' ' CG ' ' B' 2102 ' ' ARG . 2.1 mtt-85 -60.67 -35.73 76.98 Favored 'General case' 0 N--CA 1.418 -2.06 0 N-CA-C 108.578 -0.897 . . . . 112.79 108.578 179.263 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2103 ' ' VAL . . . . . . . . . . . . . 78.2 t -55.89 -23.24 14.86 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.23 0 O-C-N 121.774 -0.579 . . . . 79.12 111.449 -178.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2104 ' ' LEU . . . . . . . . . . . . . 74.5 mt -60.91 -21.7 63.62 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 120.371 -0.532 . . . . 73.99 112.16 -179.382 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2105 ' ' ARG . . . . . 0.467 ' NH1' ' OD1' ' B' 2025 ' ' ASN . 7.4 ptp85 -60.62 -11.48 7.35 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 119.921 -0.712 . . . . 103.56 112.729 174.213 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2106 ' ' LEU . . . . . . . . . . . . . 25.0 mt -73.82 -29.02 61.91 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 119.296 -0.962 . . . . 83.32 111.528 174.364 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2107 ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -58.39 -15.51 10.94 Favored 'General case' 0 CA--C 1.515 -0.369 0 C-N-CA 120.261 -0.576 . . . . 75.78 111.445 171.224 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2108 ' ' ARG . . . . . 0.524 ' NH2' ' OE1' ' B' 2059 ' ' GLU . 0.0 OUTLIER -53.84 -25.15 18.2 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.859 -0.336 . . . . 104.76 111.382 171.595 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B 2109 ' ' LEU . . . . . . . . . . . . . 24.8 tp -66.24 -24.54 66.61 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.851 -0.34 . . . . 84.53 111.337 176.082 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2110 ' ' VAL . . . . . . . . . . . . . 77.3 t -75.66 -39.21 39.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 CA-C-O 120.672 0.272 . . . . 85.09 110.579 170.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2111 ' ' THR . . . . . . . . . . . . . 22.6 m -62.99 -39.27 94.21 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.459 -0.496 . . . . 106.81 111.317 -179.819 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2112 ' ' ALA . . . . . . . . . . . . . . . -85.97 -23.9 26.72 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 113.71 1.004 . . . . 86.28 113.71 -169.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2113 ' ' VAL . . . . . . . . . . . . . 61.7 t -98.63 113.22 64.08 Favored Pre-proline 0 C--O 1.242 0.658 0 N-CA-C 108.108 -1.071 . . . . 87.27 108.108 -174.571 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2114 ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -58.56 -39.47 82.71 Favored 'Trans proline' 0 N--CA 1.477 0.55 0 CA-C-N 119.044 0.694 . . . . 85.86 113.834 -176.31 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2115 ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.84 -44.44 66.74 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 118.652 0.66 . . . . 133.99 111.27 176.457 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2116 ' ' MET . . . . . . . . . . . . . 12.3 mmt -67.97 -37.97 82.17 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.347 -0.541 . . . . 122.21 111.428 -177.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2117 ' ' ARG . . . . . . . . . . . . . 14.4 mtm180 -58.46 -45.16 89.16 Favored 'General case' 0 C--O 1.24 0.568 0 C-N-CA 120.491 -0.483 . . . . 125.39 111.403 176.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2118 ' ' LYS . . . . . . . . . . . . . . . -61.71 -40.98 96.95 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 120.202 -0.599 . . . . 84.34 110.904 -177.825 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2119 ' ' ILE . . . . . . . . . . . . . 1.2 mm -55.77 -53.88 32.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 CA-C-O 121.499 0.666 . . . . 90.24 110.196 173.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2120 ' ' VAL . . . . . . . . . . . . . 74.5 t -65.02 -45.48 94.42 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 C-N-CA 119.597 -0.841 . . . . 73.48 110.582 -175.076 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2121 ' ' SER . . . . . . . . . . . . . 22.2 m -55.16 -50.99 67.91 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.214 -0.594 . . . . 85.73 110.956 175.694 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2122 ' ' ALA . . . . . . . . . . . . . . . -52.97 -49.46 66.07 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.704 -0.398 . . . . 76.98 111.055 177.68 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2123 ' ' LEU . . . . . . . . . . . . . 15.1 mt -64.01 -40.92 97.42 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 119.848 -0.741 . . . . 86.26 111.228 -176.766 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2124 ' ' ILE . . . . . . . . . . . . . 14.2 mm -65.07 -23.21 32.89 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 N-CA-C 112.02 0.378 . . . . 92.41 112.02 -179.736 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2125 ' ' SER . . . . . . . . . . . . . 84.1 p -71.87 -18.27 62.06 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 119.58 -0.848 . . . . 79.12 112.974 -167.155 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2126 ' ' VAL . . . . . . . . . . . . . 28.9 m -73.19 -19.96 18.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 C-N-CA 119.029 -1.069 . . . . 73.31 111.793 173.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2127 ' ' ILE . . . . . . . . . . . . . 29.1 mt -70.26 -46.61 20.73 Favored Pre-proline 0 C--O 1.239 0.543 0 O-C-N 121.809 -0.557 . . . . 74.52 111.077 -163.685 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2128 ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -50.95 -46.5 30.34 Favored 'Trans proline' 0 N--CA 1.476 0.493 0 CA-C-N 120.415 1.184 . . . . 84.19 113.471 -177.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2129 ' ' GLY . . . . . . . . . . . . . . . -68.97 -5.99 50.1 Favored Glycine 0 CA--C 1.519 0.343 0 CA-C-O 118.8 -1.0 . . . . 82.97 115.296 175.325 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2130 ' ' MET . . . . . . . . . . . . . 30.2 mtp -99.76 -8.84 23.72 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 118.851 1.325 . . . . 82.61 113.365 179.008 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2131 ' ' LEU . . . . . . . . . . . . . 85.0 mt -58.69 -41.7 86.86 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 118.343 0.52 . . . . 89.46 112.076 -170.587 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2132 ' ' SER . . . . . . . . . . . . . 56.7 p -65.51 -41.87 92.69 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 119.018 -1.073 . . . . 84.62 111.011 -178.977 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2133 ' ' VAL . . . . . . . . . . . . . 84.0 t -61.39 -45.33 98.85 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 C-N-CA 119.956 -0.698 . . . . 68.81 110.542 173.472 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2134 ' ' ILE . . . . . . . . . . . . . 74.1 mt -58.4 -44.32 88.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 O-C-N 121.674 -0.642 . . . . 77.43 110.313 177.742 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2135 ' ' ALA . . . . . . . . . . . . . . . -59.03 -49.05 79.37 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.024 0.44 . . . . 66.61 111.045 176.61 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2136 ' ' LEU . . . . . . . . . . . . . 32.1 tp -55.71 -42.84 75.86 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.863 0.364 . . . . 68.14 111.284 176.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2137 ' ' MET . . . . . . . . . . . . . 5.3 tpt -67.92 -39.07 83.59 Favored 'General case' 0 C--O 1.242 0.686 0 O-C-N 122.086 -0.384 . . . . 111.1 110.871 -179.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2138 ' ' THR . . . . . . . . . . . . . 92.1 m -66.24 -40.94 90.58 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 120.573 0.225 . . . . 70.1 111.124 178.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2139 ' ' LEU . . . . . . . . . . . . . 48.1 tp -58.72 -44.45 90.44 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.211 -0.596 . . . . 67.27 110.604 171.536 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2140 ' ' PHE . . . . . . . . . . . . . 59.3 t80 -56.64 -52.9 63.11 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 120.892 0.377 . . . . 65.02 111.153 177.281 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2141 ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -54.52 -44.01 72.39 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 120.069 -0.652 . . . . 65.47 111.03 176.208 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2142 ' ' TYR . . . . . . . . . . . . . 65.5 t80 -61.19 -48.47 81.4 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 120.855 0.36 . . . . 71.21 111.138 -175.484 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2143 ' ' ILE . . . . . . . . . . . . . 81.2 mt -61.43 -45.65 98.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-O 121.225 0.536 . . . . 65.07 110.597 -179.731 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2144 ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -72.29 -27.59 62.56 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 119.29 -0.964 . . . . 67.2 111.826 -178.023 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2145 ' ' ALA . . . . . . . . . . . . . . . -68.5 -42.91 77.94 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 119.721 -0.792 . . . . 61.2 110.447 175.51 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2146 ' ' ILE . . . . . . . . . . . . . 54.2 mt -57.98 -49.39 81.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 C-N-CA 120.48 -0.488 . . . . 65.61 110.247 173.737 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2147 ' ' MET . . . . . . . . . . . . . 93.5 mtp -61.8 -42.43 99.0 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 119.161 -1.016 . . . . 78.83 111.391 -178.342 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2148 ' ' ALA . . . . . . . . . . . . . . . -69.97 -37.53 75.8 Favored 'General case' 0 C--O 1.242 0.697 0 C-N-CA 119.407 -0.917 . . . . 60.14 110.755 -176.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2149 ' ' THR . . . . . . . . . . . . . 64.2 m -55.38 -44.19 75.84 Favored 'General case' 0 CA--C 1.513 -0.459 0 C-N-CA 119.134 -1.026 . . . . 64.28 110.564 178.112 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2150 ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -87.01 -23.16 25.1 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 118.784 -1.166 . . . . 101.02 113.079 -174.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2151 ' ' LEU . . . . . . . . . . . . . 83.4 mt -73.67 -42.45 61.31 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 118.754 -1.179 . . . . 62.03 111.975 171.356 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2152 ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -119.94 -6.66 10.02 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 114.807 1.41 . . . . 61.23 114.807 -166.594 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2153 ' ' GLY . . . . . . . . . . . . . . . -67.46 -38.28 90.75 Favored Glycine 0 C--N 1.336 0.566 0 C-N-CA 120.207 -0.997 . . . . 73.52 114.361 -169.251 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2154 ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -61.27 -45.38 94.75 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-N 117.699 0.75 . . . . 127.03 111.276 -179.063 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2155 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.09 -19.72 25.21 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 123.32 0.648 . . . . 110.98 112.586 -173.698 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2156 ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -134.14 66.48 71.61 Favored Pre-proline 0 C--O 1.234 0.251 0 N-CA-C 108.709 -0.849 . . . . 67.83 108.709 179.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2157 ' ' PRO . . . . . . . . . . . . . 10.6 Cg_exo -57.06 -45.16 37.82 Favored 'Trans proline' 0 N--CA 1.476 0.467 0 N-CA-C 113.905 0.694 . . . . 65.07 113.905 -175.81 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2158 ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -58.29 -38.1 76.35 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 118.867 -1.133 . . . . 88.59 111.868 -175.185 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2159 ' ' TRP . . . . . . . . . . . . . 37.6 m0 -91.85 -25.07 19.14 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 114.136 1.162 . . . . 60.04 114.136 -175.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2160 ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -146.04 8.54 1.09 Allowed 'General case' 0 C--O 1.242 0.68 0 N-CA-C 113.153 0.797 . . . . 50.56 113.153 -171.194 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2161 ' ' GLY . . . . . . . . . . . . . . . -64.73 -15.56 60.03 Favored Glycine 0 CA--C 1.507 -0.407 0 C-N-CA 119.23 -1.462 . . . . 69.89 114.265 -174.317 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2162 ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -143.89 150.17 38.01 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.998 -1.112 . . . . 63.19 107.998 -170.442 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2163 ' ' LEU . . . . . 0.541 ' N ' ' O ' ' B' 2405 ' ' HOH . 28.7 tp -53.24 -47.53 68.94 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.807 -0.633 . . . . 69.13 110.804 177.049 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2164 ' ' GLY . . . . . . . . . . . . . . . -57.11 -43.59 93.31 Favored Glycine 0 C--N 1.333 0.365 0 C-N-CA 120.098 -1.049 . . . . 61.64 112.963 176.379 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2165 ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -68.26 -39.35 82.23 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 118.752 -1.179 . . . . 91.69 111.135 -178.067 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2166 ' ' SER . . . . . . . . . . . . . 54.0 m -64.18 -39.54 94.21 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.745 -0.382 . . . . 59.41 111.142 177.431 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2167 ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -55.61 -51.29 67.67 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-O 121.289 0.566 . . . . 71.14 110.446 173.376 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2168 ' ' TYR . . . . . . . . . . . . . 64.0 t80 -55.4 -51.02 68.23 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-N 115.992 -0.549 . . . . 54.81 110.832 178.281 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2169 ' ' THR . . . . . . . . . . . . . 91.3 m -63.12 -42.96 99.63 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 119.648 -0.821 . . . . 50.65 110.719 -177.303 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2170 ' ' LEU . . . . . . . . . . . . . 27.2 mt -58.4 -41.44 84.92 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 119.658 -0.817 . . . . 59.07 111.104 177.829 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2171 ' ' PHE . . . . . . . . . . . . . 77.0 t80 -60.71 -39.9 90.26 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 118.43 -1.308 . . . . 61.68 111.062 175.241 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2172 ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -61.48 -40.71 95.54 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 120.252 -0.579 . . . . 56.98 110.837 177.962 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2173 ' ' VAL . . . . . . . . . . . . . 82.2 t -65.39 -36.43 77.66 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 C-N-CA 120.368 -0.533 . . . . 57.31 110.003 178.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2174 ' ' MET . . . . . . . . . . . . . 53.4 ttp -61.63 -41.96 98.22 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 120.026 -0.67 . . . . 70.64 111.372 177.542 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2175 ' ' THR . . . . . . . . . . . . . 33.0 p -72.62 -2.49 20.19 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 117.989 -1.484 . . . . 54.91 112.146 176.159 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2176 ' ' LEU . . . . . . . . . . . . . 24.5 mt 66.17 15.32 10.04 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 124.33 1.052 . . . . 52.12 112.924 -178.409 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2177 ' ' GLU . . . . . 0.68 ' OE1' ' OG ' ' B' 2178 ' ' SER . 1.6 tm-20 -76.91 111.79 12.82 Favored 'General case' 0 C--O 1.236 0.392 0 O-C-N 121.713 -0.617 . . . . 71.47 109.676 -177.186 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2178 ' ' SER . . . . . 0.68 ' OG ' ' OE1' ' B' 2177 ' ' GLU . 13.8 m 53.07 27.71 6.03 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.296 0.48 . . . . 57.35 112.296 177.098 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2179 ' ' TRP . . . . . . . . . . . . . 45.0 p-90 -61.52 -35.64 78.28 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 119.017 -1.073 . . . . 52.45 111.741 -173.025 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2180 ' ' SER . . . . . . . . . . . . . 30.6 t -94.65 -57.6 2.42 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 113.254 0.835 . . . . 47.2 113.254 -175.631 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2181 ' ' MET . . . . . . . . . . . . . 90.5 mmm -64.51 -33.36 75.7 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 118.855 -1.138 . . . . 58.76 110.937 179.234 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2182 ' ' GLY . . . . . . . . . . . . . . . -91.77 -28.72 13.27 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.353 -0.927 . . . . 59.42 115.217 -172.403 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2183 ' ' ILE . . . . . . . . . . . . . 1.7 mp -121.92 -58.64 2.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-N 118.103 0.952 . . . . 58.4 111.329 -175.266 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2184 ' ' VAL . . . . . . . . . . . . . 98.9 t -78.12 -40.11 25.69 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 C-N-CA 119.53 -0.868 . . . . 55.91 111.19 -163.304 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2185 ' ' ARG . . . . . . . . . . . . . 68.1 mtt-85 -59.97 -50.58 85.74 Favored Pre-proline 0 C--O 1.247 0.932 0 C-N-CA 118.585 -1.246 . . . . 57.29 111.185 172.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2186 ' ' PRO . . . . . . . . . . . . . 67.7 Cg_exo -53.48 -42.84 62.56 Favored 'Trans proline' 0 N--CA 1.478 0.587 0 CA-C-N 121.01 1.397 . . . . 53.9 112.938 172.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2187 ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.79 -39.0 90.17 Favored 'General case' 0 C--O 1.235 0.296 0 O-C-N 122.079 -0.388 . . . . 58.88 111.21 177.959 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2188 ' ' MET . . . . . . . . . . . . . 71.8 mtm -71.86 -16.01 62.14 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 112.788 0.662 . . . . 65.76 112.788 -174.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2189 ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -69.0 -26.52 65.05 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 119.998 -0.681 . . . . 109.46 111.036 175.896 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2190 ' ' VAL . . . . . . . . . . . . . 74.3 t -99.73 -40.79 8.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 122.585 0.354 . . . . 62.12 111.491 172.129 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2191 ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -120.75 88.75 44.28 Favored Pre-proline 0 C--O 1.242 0.668 0 N-CA-C 108.26 -1.015 . . . . 66.77 108.26 -175.926 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2192 ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -62.7 -14.52 40.75 Favored 'Trans proline' 0 C--O 1.237 0.47 0 N-CA-C 114.045 0.748 . . . . 62.16 114.045 -173.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2193 ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -98.79 7.7 45.77 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 119.024 0.829 . . . . 83.3 112.859 177.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2194 ' ' ALA . . . . . . . . . . . . . . . -50.44 -31.91 16.39 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 120.339 -0.544 . . . . 62.43 111.58 176.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2195 ' ' TRP . . . . . . . . . . . . . 60.5 p-90 -61.7 -26.01 67.78 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.699 -0.4 . . . . 62.75 111.677 -179.735 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2196 ' ' VAL . . . . . . . . . . . . . 94.7 t -69.31 -16.88 21.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 O-C-N 122.201 -0.312 . . . . 67.64 111.184 178.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2197 ' ' PHE . . . . . . . . . . . . . 56.0 t80 -91.89 -52.6 4.65 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 124.811 1.244 . . . . 64.19 111.201 178.162 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2198 ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -81.98 -31.78 30.96 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 113.799 1.037 . . . . 64.42 113.799 -171.068 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2199 ' ' ILE . . . . . . . . . . . . . 48.8 mm -61.97 -60.38 10.39 Favored Pre-proline 0 C--O 1.243 0.754 0 N-CA-C 108.087 -1.079 . . . . 73.06 108.087 179.509 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2200 ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.09 -41.27 73.07 Favored 'Trans proline' 0 C--O 1.237 0.45 0 CA-C-N 118.871 0.632 . . . . 63.55 112.289 177.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2201 ' ' PHE . . . . . . . . . . . . . 81.5 t80 -53.76 -44.72 70.23 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.08 -0.648 . . . . 57.99 111.429 173.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2202 ' ' ILE . . . . . . . . . . . . . 69.7 mt -67.03 -37.55 79.57 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 C-N-CA 120.606 -0.438 . . . . 60.71 110.595 -179.73 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2203 ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -62.91 -51.02 68.57 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.039 -0.664 . . . . 81.65 110.289 -179.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2204 ' ' VAL . . . . . . . . . . . . . 69.3 t -58.4 -51.06 76.01 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-O 121.829 0.823 . . . . 64.67 110.406 -178.407 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2205 ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -66.72 -34.36 69.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 O-C-N 121.919 -0.488 . . . . 66.85 110.808 -170.718 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2206 ' ' VAL . . . . . . . . . . . . . 46.6 t -79.76 -39.8 20.4 Favored 'Isoleucine or valine' 0 C--O 1.238 0.474 0 C-N-CA 119.87 -0.732 . . . . 63.32 110.388 179.275 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2207 ' ' PHE . . . . . . . . . . . . . 47.1 t80 -59.83 -41.28 91.0 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 121.861 -0.525 . . . . 69.28 110.965 176.802 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2208 ' ' VAL . . . . . . . . . . . . . 38.9 t -68.26 -41.79 84.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 C-N-CA 120.011 -0.676 . . . . 70.45 110.987 -178.033 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2209 ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -62.61 -48.54 78.94 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 119.065 -1.054 . . . . 114.96 111.059 179.766 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2210 ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.79 -46.78 95.78 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 C-N-CA 120.433 -0.507 . . . . 64.83 110.162 -177.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2211 ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -66.69 -25.92 66.78 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.393 -0.523 . . . . 81.59 111.798 -178.014 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2212 ' ' LEU . . . . . . . . . . . . . 11.6 tp -66.57 -43.36 85.18 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.199 -0.6 . . . . 86.33 110.942 173.619 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2213 ' ' VAL . . . . . . . . . . . . . 85.6 t -64.38 -42.91 96.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-O 120.908 0.385 . . . . 65.34 110.448 176.811 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2214 ' ' VAL . . . . . . . . . . . . . 38.5 t -61.26 -38.7 80.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 121.146 0.498 . . . . 67.32 110.105 -179.595 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2215 ' ' ALA . . . . . . . . . . . . . . . -73.14 -35.68 66.54 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 120.633 -0.427 . . . . 72.07 111.073 -175.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2216 ' ' ILE . . . . . . . . . . . . . 95.2 mt -64.06 -47.34 90.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 C-N-CA 119.998 -0.681 . . . . 72.86 110.205 177.86 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2217 ' ' ILE . . . . . . . . . . . . . 77.4 mt -64.58 -50.66 74.8 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 C-N-CA 120.137 -0.625 . . . . 68.01 110.327 -178.561 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2218 ' ' VAL . . . . . 0.474 ' CA ' ' CE ' ' B' 2221 ' ' MET . 71.3 t -67.37 -38.82 81.51 Favored 'Isoleucine or valine' 0 C--O 1.239 0.514 0 O-C-N 121.973 -0.454 . . . . 82.28 110.992 -173.624 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2219 ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -71.41 -34.98 70.82 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 119.554 -0.858 . . . . 80.67 111.546 178.172 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2220 ' ' ALA . . . . . . . . . . . . . . . -56.34 -45.46 80.37 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 119.534 -0.866 . . . . 80.56 110.622 173.381 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2221 ' ' MET . . . . . 0.474 ' CE ' ' CA ' ' B' 2218 ' ' VAL . 29.4 mtm -73.54 -30.75 63.27 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.046 -0.662 . . . . 114.21 111.872 -177.03 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2222 ' ' ALA . . . . . . . . . . . . . . . -55.41 -46.02 76.65 Favored 'General case' 0 C--O 1.241 0.627 0 C-N-CA 119.736 -0.786 . . . . 85.15 110.797 171.774 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2223 ' ' ILE . . . . . . . . . . . . . 57.8 mt -67.48 -44.23 86.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 C-N-CA 119.843 -0.743 . . . . 94.43 110.437 177.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2224 ' ' LEU . . . . . . . . . . . . . 77.2 mt -52.06 -41.7 62.54 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 119.911 -0.716 . . . . 88.33 111.034 174.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2225 ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -69.94 -40.93 75.18 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 120.992 -0.283 . . . . 99.96 111.239 -179.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2226 ' ' GLN . . . . . . . . . . . . . . . -59.43 -39.9 85.03 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 120.21 -0.596 . . . . 100.43 110.88 177.454 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2227 ' ' LYS . . . . . . . . . . . . . . . -67.82 -46.2 72.55 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 120.951 -0.299 . . . . 105.54 111.486 -175.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2228 ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -74.37 -27.43 60.66 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 119.412 -0.915 . . . . 125.39 111.49 -178.862 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2229 ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -61.01 -48.35 82.24 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 120.891 0.376 . . . . 122.88 111.015 173.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2230 ' ' GLN . . . . . . . . . . . . . . . -60.72 -42.04 96.47 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 119.955 -0.698 . . . . 116.96 111.209 177.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2231 ' ' HIS . . . . . . . . . . . . . 54.9 m170 -62.16 -46.27 89.73 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.286 -0.565 . . . . 137.66 111.203 -179.835 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2232 ' ' ILE . . . . . . . . . . . . . 96.5 mt -65.14 -46.24 91.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-O 121.177 0.513 . . . . 133.36 110.378 179.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2233 ' ' ILE . . . . . . . . . . . . . 21.7 mt -62.39 -42.9 97.32 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 O-C-N 121.924 -0.485 . . . . 135.76 110.724 -177.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2234 ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -56.06 -44.3 78.74 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 121.831 -0.543 . . . . 154.63 111.078 177.41 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2235 ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -59.21 -50.22 74.86 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 120.507 -0.477 . . . . 156.98 110.899 175.753 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2236 ' ' VAL . . . . . . . . . . . . . . . -54.92 -47.49 75.93 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 CA-C-O 121.317 0.579 . . . . 150.43 110.17 175.347 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2237 ' ' GLN . . . . . . . . . . . . . . . -61.88 -34.02 75.27 Favored 'General case' 0 C--O 1.238 0.489 0 O-C-N 121.972 -0.455 . . . . 151.7 111.301 178.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2238 ' ' SER . . . . . . . . . . . . . . . -84.28 -35.65 23.2 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 112.021 0.378 . . . . 165.34 112.021 -176.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2239 ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 O-C-N 121.917 -0.489 . . . . 176.14 110.977 178.713 . . . . . . . . 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 0 . 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 ' ' CPS . . . . . 0.538 ' C24' ' C21' ' B' 2306 ' ' CPS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2307 ' ' CPS . . . . . 0.539 ' C22' ' C10' ' B' 2307 ' ' CPS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 0 . 1 . 001 ecloud orig full ' B' B 2405 ' ' HOH . . . . . 0.541 ' O ' ' N ' ' B' 2163 ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2406 ' ' HOH . . . . . 0.498 ' O ' ' N ' ' B' 2178 ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 build full ' B' B 1999 ' ' SER . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 -0.315 0 N-CA-C 110.146 -0.316 . . . . 121.83 110.146 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2000 ' ' HIS . . . . . . . . . . . . . . . -120.24 -58.23 1.87 Allowed 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.914 -0.585 . . . . 125.25 111.322 178.326 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2001 ' ' MET . . . . . . . . . . . . . . . -60.5 -26.87 67.15 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 119.656 -0.818 . . . . 125.23 110.678 168.392 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2002 ' ' TYR . . . . . . . . . . . . . 65.3 t80 -57.6 -58.44 8.31 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.074 0.464 . . . . 121.42 110.944 173.864 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2003 ' ' LEU . . . . . . . . . . . . . 66.8 mt -59.55 -29.62 68.05 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 120.366 -0.534 . . . . 101.95 111.891 -177.005 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2004 ' ' ARG . . . . . . . . . . . . . . . -57.93 -53.19 61.01 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 119.694 -0.802 . . . . 96.58 110.553 177.862 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2005 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -74.33 -25.23 19.44 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 C-N-CA 120.006 -0.677 . . . . 109.17 112.072 179.653 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2006 ' ' THR . . . . . . . . . . . . . 22.2 m -66.02 -37.81 86.83 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 119.671 -0.812 . . . . 95.77 111.101 177.65 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2007 ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -67.2 -32.79 74.09 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 119.204 -0.998 . . . . 113.14 111.101 175.731 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2008 ' ' ILE . . . . . . . . . . . . . 42.4 mm -66.19 -59.09 4.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-O 121.223 0.535 . . . . 90.66 110.257 173.634 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2009 ' ' VAL . . . . . . . . . . . . . 47.4 t -59.81 -29.86 43.92 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 O-C-N 122.079 -0.388 . . . . 96.8 111.364 -173.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2010 ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -89.36 -6.83 56.31 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 113.014 0.746 . . . . 121.82 113.014 -179.487 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2011 ' ' SER . . . . . . . . . . . . . 55.2 p -70.07 151.89 44.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.976 0.893 . . . . 109.24 111.427 -172.794 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2012 ' ' SER . . . . . . . . . . . . . 7.3 t -59.78 -38.3 81.49 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 114.994 -1.003 . . . . 109.64 111.054 174.098 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2013 ' ' PHE . . . . . . . . . . . . . . . -63.25 -47.53 82.04 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.615 -0.434 . . . . 96.6 111.19 -179.878 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2014 ' ' PHE . . . . . . . . . . . . . 42.7 t80 -51.87 -50.63 60.6 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.644 -0.422 . . . . 92.59 111.166 179.443 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2015 ' ' THR . . . . . 0.449 ' O ' HG13 ' B' 2019 ' ' ILE . 95.3 m -67.78 -37.58 82.25 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.064 -0.654 . . . . 102.19 111.23 -176.726 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2016 ' ' LYS . . . . . . . . . . . . . . . -66.89 -45.93 76.49 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 119.971 -0.692 . . . . 86.39 110.937 179.14 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2017 ' ' PHE . . . . . . . . . . . . . 65.9 t80 -50.4 -52.22 39.37 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 120.861 0.362 . . . . 97.33 111.529 176.319 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2018 ' ' ILE . . . . . 0.438 ' O ' HG13 ' B' 2022 ' ' ILE . 40.5 mm -60.94 -40.37 85.18 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 C-N-CA 120.296 -0.562 . . . . 78.22 110.667 -176.811 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2019 ' ' ILE . . . . . 0.449 HG13 ' O ' ' B' 2015 ' ' THR . 72.2 mt -63.49 -44.26 98.69 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 C-N-CA 119.748 -0.781 . . . . 82.74 110.222 177.631 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2020 ' ' TYR . . . . . . . . . . . . . 68.7 t80 -48.43 -51.32 27.39 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 120.833 0.349 . . . . 133.48 111.178 172.837 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2021 ' ' LEU . . . . . . . . . . . . . 26.3 mt -61.18 -42.13 98.03 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 120.663 -0.415 . . . . 90.72 111.433 179.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2022 ' ' ILE . . . . . 0.438 HG13 ' O ' ' B' 2018 ' ' ILE . 91.0 mt -58.38 -44.23 88.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 C-N-CA 120.251 -0.58 . . . . 84.0 110.457 179.61 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2023 ' ' VAL . . . . . . . . . . . . . 52.6 t -68.63 -45.42 81.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 C-N-CA 119.989 -0.684 . . . . 86.82 110.591 -179.018 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2024 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.99 -56.56 19.23 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.127 0.489 . . . . 93.94 110.91 175.998 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2025 ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -60.02 -30.18 68.99 Favored 'General case' 0 C--O 1.238 0.487 0 O-C-N 122.223 -0.298 . . . . 95.42 111.636 179.76 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2026 ' ' GLY . . . . . . . . . . . . . . . -66.47 -45.04 88.6 Favored Glycine 0 C--N 1.334 0.435 0 C-N-CA 119.726 -1.226 . . . . 73.94 111.671 175.312 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2027 ' ' ILE . . . . . . . . . . . . . 95.5 mt -57.22 -48.14 82.81 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 CA-C-O 121.436 0.636 . . . . 82.6 110.072 172.67 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2028 ' ' THR . . . . . 0.572 HG23 ' CG2' ' B' 2045 ' ' THR . 0.7 OUTLIER -55.96 -43.05 77.16 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 116.271 -0.422 . . . . 87.64 111.966 -179.643 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B 2029 ' ' MET . . . . . . . . . . . . . 29.1 mtt -69.26 -28.36 66.25 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 119.563 -0.855 . . . . 99.66 111.989 -177.011 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2030 ' ' GLY . . . . . 0.466 ' O ' ' HB ' ' B' 2033 ' ' THR . . . -70.47 -38.42 69.4 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 119.722 -1.228 . . . . 85.67 112.34 170.885 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2031 ' ' LEU . . . . . . . . . . . . . 2.2 mp -63.73 -44.16 94.38 Favored 'General case' 0 C--O 1.236 0.353 0 O-C-N 122.207 -0.584 . . . . 83.15 111.518 177.429 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2032 ' ' GLU . . . . . 0.489 ' HG3' HG21 ' B' 2045 ' ' THR . 55.1 mt-10 -57.62 -3.98 0.23 Allowed 'General case' 0 C--O 1.236 0.377 0 N-CA-C 112.803 0.668 . . . . 111.59 112.803 177.414 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2033 ' ' THR . . . . . 0.466 ' HB ' ' O ' ' B' 2030 ' ' GLY . 1.6 m -79.87 -23.17 42.1 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 118.23 0.468 . . . . 75.21 111.627 177.908 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2034 ' ' SER . . . . . . . . . . . . . 2.7 t -87.92 122.62 31.75 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 109.276 -0.638 . . . . 85.12 109.276 -177.897 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2035 ' ' LYS . . . . . . . . . . . . . . . -58.26 -43.24 87.81 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 120.105 -0.638 . . . . 84.52 110.821 173.687 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2036 ' ' THR . . . . . . . . . . . . . 41.0 m -53.19 -55.08 27.14 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.254 -0.578 . . . . 105.54 110.835 175.261 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2037 ' ' PHE . . . . . 0.57 ' HD2' ' HE3' ' B' 2038 ' ' MET . 82.0 t80 -55.77 -44.94 78.17 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.067 -0.653 . . . . 90.03 111.093 -177.761 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2038 ' ' MET . . . . . 0.913 ' HE2' ' HA ' ' B' 2038 ' ' MET . 9.5 mmt -62.68 -38.8 91.81 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.17 -0.612 . . . . 99.3 111.415 -177.395 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2039 ' ' GLN . . . . . . . . . . . . . . . -58.91 -36.79 75.3 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 119.937 -0.705 . . . . 114.58 111.154 179.204 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2040 ' ' SER . . . . . . . . . . . . . 49.1 m -87.3 -50.24 6.72 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 112.38 0.511 . . . . 134.99 112.38 -176.37 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2041 ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -122.43 15.06 10.41 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 112.82 0.674 . . . . 114.69 112.82 -169.228 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2042 ' ' GLY . . . . . 0.482 ' HA2' ' CE ' ' B' 2038 ' ' MET . . . -55.48 -39.07 72.57 Favored Glycine 0 CA--C 1.523 0.564 0 C-N-CA 119.923 -1.132 . . . . 104.03 112.666 178.348 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2043 ' ' VAL . . . . . . . . . . . . . . . -56.19 -49.52 75.72 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 C-N-CA 119.987 -0.685 . . . . 111.85 110.141 179.241 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2044 ' ' TYR . . . . . . . . . . . . . . . -60.44 -50.57 73.05 Favored 'General case' 0 C--O 1.236 0.379 0 O-C-N 121.765 -0.585 . . . . 113.95 111.317 -179.009 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2045 ' ' THR . . . . . 0.572 ' CG2' HG23 ' B' 2028 ' ' THR . 6.6 m -61.81 -34.07 75.26 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 120.408 -0.517 . . . . 118.32 111.974 -174.885 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2046 ' ' THR . . . . . . . . . . . . . 30.5 m -67.81 -43.2 80.2 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.292 -0.563 . . . . 110.93 111.215 -176.291 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2047 ' ' LEU . . . . . . . . . . . . . . . -66.9 -40.37 87.7 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.338 -0.545 . . . . 118.06 110.894 177.15 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2048 ' ' PHE . . . . . . . . . . . . . 83.7 t80 -59.24 -35.53 73.83 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.082 -0.647 . . . . 104.29 111.093 176.039 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2049 ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -65.52 -45.48 83.31 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 119.809 -0.756 . . . . 100.88 110.766 174.555 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2050 ' ' GLN . . . . . 0.414 ' HA ' HG22 ' B' 2053 ' ' ILE . . . -62.37 -40.56 96.84 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 119.732 -0.787 . . . . 101.69 110.843 177.235 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2051 ' ' ILE . . . . . . . . . . . . . 14.3 mt -60.57 -53.46 48.66 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 CA-C-O 121.218 0.532 . . . . 96.83 110.284 177.44 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2052 ' ' VAL . . . . . . . . . . . . . 6.4 t -54.9 -44.68 73.89 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 C-N-CA 120.463 -0.495 . . . . 90.41 110.355 -178.243 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2053 ' ' ILE . . . . . 0.414 HG22 ' HA ' ' B' 2050 ' ' GLN . 6.4 tt -68.54 -33.63 60.98 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 C-N-CA 119.336 -0.946 . . . . 114.78 110.963 -177.622 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2054 ' ' THR . . . . . . . . . . . . . 64.7 m -61.85 -47.97 82.65 Favored 'General case' 0 C--O 1.237 0.41 0 O-C-N 121.873 -0.517 . . . . 95.29 110.666 173.16 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2055 ' ' ILE . . . . . . . . . . . . . 14.9 mt -59.57 -45.3 94.18 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 C-N-CA 120.543 -0.463 . . . . 89.91 110.194 177.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2056 ' ' PHE . . . . . . . . . . . . . 13.4 m-30 -62.61 -34.72 77.6 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 120.098 -0.641 . . . . 96.63 111.406 178.463 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2057 ' ' THR . . . . . 0.412 ' O ' HG13 ' B' 2061 ' ' ILE . 78.7 m -64.5 -48.5 74.94 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 119.854 -0.738 . . . . 91.55 110.87 176.125 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2058 ' ' ILE . . . . . . . . . . . . . 41.6 mm -55.94 -42.68 72.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 CA-C-O 121.148 0.499 . . . . 100.04 110.433 175.163 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2059 ' ' GLU . . . . . 0.522 ' OE1' ' NH2' ' B' 2108 ' ' ARG . 10.5 tt0 -62.04 -52.32 64.43 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 121.934 -0.479 . . . . 110.3 111.05 -178.154 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2060 ' ' ILE . . . . . . . . . . . . . 46.9 mm -54.11 -47.42 66.63 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 CA-C-O 121.117 0.485 . . . . 88.07 110.133 177.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2061 ' ' ILE . . . . . 0.412 HG13 ' O ' ' B' 2057 ' ' THR . 76.2 mt -56.88 -50.41 75.53 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 CA-C-O 121.171 0.51 . . . . 89.33 110.382 178.867 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2062 ' ' LEU . . . . . . . . . . . . . 73.8 mt -58.59 -43.58 89.56 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 119.989 -0.684 . . . . 94.22 111.036 178.528 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2063 ' ' ARG . . . . . 0.429 ' NH2' ' HB3' ' B' 2077 ' ' SER . 76.3 mtp180 -63.85 -31.16 72.25 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.683 -0.407 . . . . 91.25 111.754 -177.471 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2064 ' ' ILE . . . . . . . . . . . . . 95.6 mt -74.71 -41.2 47.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 C-N-CA 120.374 -0.53 . . . . 101.6 110.829 178.716 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2065 ' ' TYR . . . . . . . . . . . . . . . -61.59 -31.73 71.8 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 119.431 -0.908 . . . . 98.92 111.232 175.635 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2066 ' ' VAL . . . . . . . . . . . . . 51.3 t -82.67 -41.77 17.76 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.792 0 C-N-CA 119.673 -0.811 . . . . 97.42 112.673 -179.361 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2067 ' ' HIS . . . . . . . . . . . . . 67.5 m80 -91.38 -12.89 33.56 Favored 'General case' 0 CA--C 1.492 -1.279 0 N-CA-C 114.834 1.42 . . . . 99.61 114.834 -178.111 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2068 ' ' ARG . . . . . . . . . . . . . . . 54.1 -128.77 2.29 Favored 'General case' 0 C--O 1.199 -1.601 0 O-C-N 123.693 0.62 . . . . 103.74 111.977 179.27 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2069 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -39.08 84.13 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.597 0 N-CA-C 113.59 0.959 . . . . 120.92 113.59 -179.618 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2070 ' ' SER . . . . . . . . . . . . . 32.7 m -50.83 -22.71 2.3 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 119.257 -0.401 . . . . 115.99 112.061 179.934 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2071 ' ' PHE . . . . . . . . . . . . . 28.8 t80 -65.31 -45.22 85.22 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 118.278 0.49 . . . . 92.84 111.211 -179.381 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2072 ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -86.49 -1.85 57.95 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 112.752 0.649 . . . . 111.91 112.752 -175.786 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2073 ' ' LYS . . . . . . . . . . . . . . . -100.08 12.19 37.53 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 122.906 0.482 . . . . 98.26 111.926 169.966 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2074 ' ' ASP . . . . . . . . . . . . . 9.5 t70 -118.12 117.82 34.83 Favored Pre-proline 0 C--O 1.245 0.839 0 C-N-CA 124.461 1.105 . . . . 101.92 109.335 -176.089 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2075 ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -64.7 -35.56 45.81 Favored 'Trans proline' 0 C--O 1.238 0.49 0 CA-C-N 119.294 0.783 . . . . 94.04 113.256 -172.782 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2076 ' ' TRP . . . . . 0.488 ' CZ2' ' H18' ' B' 2304 ' ' PX4 . 47.9 m95 -64.71 -40.5 95.45 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.568 -0.453 . . . . 86.31 111.331 -178.675 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2077 ' ' SER . . . . . 0.429 ' HB3' ' NH2' ' B' 2063 ' ' ARG . 33.5 p -79.36 -31.66 43.01 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 119.33 -0.948 . . . . 88.82 111.431 178.877 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2078 ' ' LEU . . . . . . . . . . . . . 70.2 mt -55.46 -44.58 76.52 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 119.95 -0.7 . . . . 89.53 110.783 169.633 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2079 ' ' PHE . . . . . . . . . . . . . 65.2 t80 -63.83 -47.62 80.05 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.416 -0.514 . . . . 82.73 111.035 177.343 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2080 ' ' ASP . . . . . 0.578 ' OD2' HG21 ' B' 2111 ' ' THR . 75.1 m-20 -51.96 -45.3 64.36 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 119.919 -0.713 . . . . 98.39 110.377 174.493 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2081 ' ' PHE . . . . . . . . . . . . . 55.4 t80 -58.33 -60.13 4.25 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 120.892 0.377 . . . . 87.3 110.908 -179.036 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2082 ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -65.13 -33.79 76.85 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 119.456 -0.898 . . . . 116.18 111.699 -174.191 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2083 ' ' VAL . . . . . 0.657 HG11 ' HA ' ' B' 2105 ' ' ARG . 1.0 OUTLIER -68.24 -37.51 78.15 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 C-N-CA 120.042 -0.663 . . . . 93.87 110.679 179.205 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B 2084 ' ' VAL . . . . . . . . . . . . . 76.1 t -75.98 -33.63 25.48 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 C-N-CA 118.651 -1.219 . . . . 91.91 110.46 176.439 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2085 ' ' ALA . . . . . . . . . . . . . . . -63.48 -45.49 90.52 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 122.069 -0.395 . . . . 91.79 111.498 177.811 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2086 ' ' ILE . . . . . . . . . . . . . 72.9 mt -50.22 -52.56 14.35 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 CA-C-O 121.559 0.695 . . . . 95.8 110.02 174.32 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2087 ' ' SER . . . . . 0.405 ' OG ' ' NH2' ' B' 2105 ' ' ARG . 27.8 t -63.17 -5.35 3.13 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 112.435 0.531 . . . . 107.81 112.435 -177.646 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2088 ' ' LEU . . . . . . . . . . . . . . . -94.27 -23.77 17.71 Favored 'General case' 0 C--O 1.211 -0.926 0 C-N-CA 119.953 -0.699 . . . . 107.71 112.566 -178.729 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2089 ' ' VAL . . . . . 0.765 HG13 ' HD2' ' B' 2090 ' ' PRO . 70.9 t -62.15 132.91 94.0 Favored Pre-proline 0 C--O 1.212 -0.88 0 N-CA-C 107.712 -1.218 . . . . 115.74 107.712 179.256 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2090 ' ' PRO . . . . . 0.765 ' HD2' HG13 ' B' 2089 ' ' VAL . 60.8 Cg_endo -64.23 140.58 71.71 Favored 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 122.069 1.846 . . . . 117.33 114.302 -176.899 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2091 ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.321 -0.654 0 CA-C-N 113.535 -1.666 . . . . 140.09 110.255 179.677 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2096 ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.057 0 CA-C-O 120.592 0.234 . . . . 142.66 111.165 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2097 ' ' ILE . . . . . . . . . . . . . 10.9 tt -66.11 -24.35 33.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 C-N-CA 119.609 -0.836 . . . . 99.68 110.411 175.52 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2098 ' ' LEU . . . . . . . . . . . . . 45.4 mt -62.25 -32.94 73.7 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 119.769 -0.772 . . . . 102.85 111.071 175.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2099 ' ' ARG . . . . . . . . . . . . . . . -56.68 -34.23 67.2 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 119.271 -0.972 . . . . 85.27 110.85 174.696 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2100 ' ' VAL . . . . . . . . . . . . . 98.6 t -81.21 -35.46 14.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 C-N-CA 120.33 -0.548 . . . . 75.54 110.85 -179.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2101 ' ' LEU . . . . . 0.488 HD22 HD11 ' B' 2104 ' ' LEU . 25.0 mt -65.31 -11.92 46.58 Favored 'General case' 0 C--O 1.233 0.223 0 O-C-N 121.732 -0.605 . . . . 79.12 112.118 177.96 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2102 ' ' ARG . . . . . 0.706 HH21 ' CG ' ' B' 2102 ' ' ARG . 2.1 mtt-85 -60.67 -35.73 76.98 Favored 'General case' 0 N--CA 1.418 -2.06 0 N-CA-C 108.578 -0.897 . . . . 112.79 108.578 179.263 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2103 ' ' VAL . . . . . . . . . . . . . 78.2 t -55.89 -23.24 14.86 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.23 0 O-C-N 121.774 -0.579 . . . . 79.12 111.449 -178.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2104 ' ' LEU . . . . . 0.488 HD11 HD22 ' B' 2101 ' ' LEU . 74.5 mt -60.91 -21.7 63.62 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 120.371 -0.532 . . . . 73.99 112.16 -179.382 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2105 ' ' ARG . . . . . 0.657 ' HA ' HG11 ' B' 2083 ' ' VAL . 7.4 ptp85 -60.62 -11.48 7.35 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 119.921 -0.712 . . . . 103.56 112.729 174.213 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2106 ' ' LEU . . . . . . . . . . . . . 25.0 mt -73.82 -29.02 61.91 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 119.296 -0.962 . . . . 83.32 111.528 174.364 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2107 ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -58.39 -15.51 10.94 Favored 'General case' 0 CA--C 1.515 -0.369 0 C-N-CA 120.261 -0.576 . . . . 75.78 111.445 171.224 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2108 ' ' ARG . . . . . 0.522 ' NH2' ' OE1' ' B' 2059 ' ' GLU . 0.0 OUTLIER -53.84 -25.15 18.2 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.859 -0.336 . . . . 104.76 111.382 171.595 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B 2109 ' ' LEU . . . . . . . . . . . . . 24.8 tp -66.24 -24.54 66.61 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.851 -0.34 . . . . 84.53 111.337 176.082 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2110 ' ' VAL . . . . . . . . . . . . . 77.3 t -75.66 -39.21 39.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 CA-C-O 120.672 0.272 . . . . 85.09 110.579 170.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2111 ' ' THR . . . . . 0.578 HG21 ' OD2' ' B' 2080 ' ' ASP . 22.6 m -62.99 -39.27 94.21 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.459 -0.496 . . . . 106.81 111.317 -179.819 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2112 ' ' ALA . . . . . . . . . . . . . . . -85.97 -23.9 26.72 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 113.71 1.004 . . . . 86.28 113.71 -169.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2113 ' ' VAL . . . . . . . . . . . . . 61.7 t -98.63 113.22 64.08 Favored Pre-proline 0 C--O 1.242 0.658 0 N-CA-C 108.108 -1.071 . . . . 87.27 108.108 -174.571 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2114 ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -58.56 -39.47 82.71 Favored 'Trans proline' 0 N--CA 1.477 0.55 0 CA-C-N 119.044 0.694 . . . . 85.86 113.834 -176.31 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2115 ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.84 -44.44 66.74 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 118.652 0.66 . . . . 133.99 111.27 176.457 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2116 ' ' MET . . . . . . . . . . . . . 12.3 mmt -67.97 -37.97 82.17 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.347 -0.541 . . . . 122.21 111.428 -177.788 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2117 ' ' ARG . . . . . . . . . . . . . 14.4 mtm180 -58.46 -45.16 89.16 Favored 'General case' 0 C--O 1.24 0.568 0 C-N-CA 120.491 -0.483 . . . . 125.39 111.403 176.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2118 ' ' LYS . . . . . . . . . . . . . . . -61.71 -40.98 96.95 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 120.202 -0.599 . . . . 84.34 110.904 -177.825 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2119 ' ' ILE . . . . . . . . . . . . . 1.2 mm -55.77 -53.88 32.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 CA-C-O 121.499 0.666 . . . . 90.24 110.196 173.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2120 ' ' VAL . . . . . 0.422 ' O ' HG12 ' B' 2124 ' ' ILE . 74.5 t -65.02 -45.48 94.42 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 C-N-CA 119.597 -0.841 . . . . 73.48 110.582 -175.076 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2121 ' ' SER . . . . . . . . . . . . . 22.2 m -55.16 -50.99 67.91 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.214 -0.594 . . . . 85.73 110.956 175.694 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2122 ' ' ALA . . . . . . . . . . . . . . . -52.97 -49.46 66.07 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.704 -0.398 . . . . 76.98 111.055 177.68 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2123 ' ' LEU . . . . . . . . . . . . . 15.1 mt -64.01 -40.92 97.42 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 119.848 -0.741 . . . . 86.26 111.228 -176.766 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2124 ' ' ILE . . . . . 0.422 HG12 ' O ' ' B' 2120 ' ' VAL . 14.2 mm -65.07 -23.21 32.89 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 N-CA-C 112.02 0.378 . . . . 92.41 112.02 -179.736 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2125 ' ' SER . . . . . . . . . . . . . 84.1 p -71.87 -18.27 62.06 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 119.58 -0.848 . . . . 79.12 112.974 -167.155 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2126 ' ' VAL . . . . . 0.408 HG12 H16A ' B' 2307 ' ' CPS . 28.9 m -73.19 -19.96 18.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 C-N-CA 119.029 -1.069 . . . . 73.31 111.793 173.885 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2127 ' ' ILE . . . . . . . . . . . . . 29.1 mt -70.26 -46.61 20.73 Favored Pre-proline 0 C--O 1.239 0.543 0 O-C-N 121.809 -0.557 . . . . 74.52 111.077 -163.685 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2128 ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -50.95 -46.5 30.34 Favored 'Trans proline' 0 N--CA 1.476 0.493 0 CA-C-N 120.415 1.184 . . . . 84.19 113.471 -177.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2129 ' ' GLY . . . . . . . . . . . . . . . -68.97 -5.99 50.1 Favored Glycine 0 CA--C 1.519 0.343 0 CA-C-O 118.8 -1.0 . . . . 82.97 115.296 175.325 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2130 ' ' MET . . . . . 0.471 ' HE2' HD11 ' B' 2134 ' ' ILE . 30.2 mtp -99.76 -8.84 23.72 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 118.851 1.325 . . . . 82.61 113.365 179.008 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2131 ' ' LEU . . . . . . . . . . . . . 85.0 mt -58.69 -41.7 86.86 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 118.343 0.52 . . . . 89.46 112.076 -170.587 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2132 ' ' SER . . . . . . . . . . . . . 56.7 p -65.51 -41.87 92.69 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 119.018 -1.073 . . . . 84.62 111.011 -178.977 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2133 ' ' VAL . . . . . . . . . . . . . 84.0 t -61.39 -45.33 98.85 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 C-N-CA 119.956 -0.698 . . . . 68.81 110.542 173.472 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2134 ' ' ILE . . . . . 0.471 HD11 ' HE2' ' B' 2130 ' ' MET . 74.1 mt -58.4 -44.32 88.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 O-C-N 121.674 -0.642 . . . . 77.43 110.313 177.742 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2135 ' ' ALA . . . . . . . . . . . . . . . -59.03 -49.05 79.37 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.024 0.44 . . . . 66.61 111.045 176.61 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2136 ' ' LEU . . . . . . . . . . . . . 32.1 tp -55.71 -42.84 75.86 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.863 0.364 . . . . 68.14 111.284 176.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2137 ' ' MET . . . . . 0.815 ' HE1' ' HA ' ' B' 2205 ' ' VAL . 5.3 tpt -67.92 -39.07 83.59 Favored 'General case' 0 C--O 1.242 0.686 0 O-C-N 122.086 -0.384 . . . . 111.1 110.871 -179.19 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2138 ' ' THR . . . . . . . . . . . . . 92.1 m -66.24 -40.94 90.58 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 120.573 0.225 . . . . 70.1 111.124 178.885 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2139 ' ' LEU . . . . . . . . . . . . . 48.1 tp -58.72 -44.45 90.44 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.211 -0.596 . . . . 67.27 110.604 171.536 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2140 ' ' PHE . . . . . . . . . . . . . 59.3 t80 -56.64 -52.9 63.11 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 120.892 0.377 . . . . 65.02 111.153 177.281 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2141 ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -54.52 -44.01 72.39 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 120.069 -0.652 . . . . 65.47 111.03 176.208 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2142 ' ' TYR . . . . . . . . . . . . . 65.5 t80 -61.19 -48.47 81.4 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 120.855 0.36 . . . . 71.21 111.138 -175.484 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2143 ' ' ILE . . . . . . . . . . . . . 81.2 mt -61.43 -45.65 98.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-O 121.225 0.536 . . . . 65.07 110.597 -179.731 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2144 ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -72.29 -27.59 62.56 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 119.29 -0.964 . . . . 67.2 111.826 -178.023 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2145 ' ' ALA . . . . . . . . . . . . . . . -68.5 -42.91 77.94 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 119.721 -0.792 . . . . 61.2 110.447 175.51 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2146 ' ' ILE . . . . . . . . . . . . . 54.2 mt -57.98 -49.39 81.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 C-N-CA 120.48 -0.488 . . . . 65.61 110.247 173.737 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2147 ' ' MET . . . . . . . . . . . . . 93.5 mtp -61.8 -42.43 99.0 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 119.161 -1.016 . . . . 78.83 111.391 -178.342 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2148 ' ' ALA . . . . . . . . . . . . . . . -69.97 -37.53 75.8 Favored 'General case' 0 C--O 1.242 0.697 0 C-N-CA 119.407 -0.917 . . . . 60.14 110.755 -176.357 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2149 ' ' THR . . . . . . . . . . . . . 64.2 m -55.38 -44.19 75.84 Favored 'General case' 0 CA--C 1.513 -0.459 0 C-N-CA 119.134 -1.026 . . . . 64.28 110.564 178.112 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2150 ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -87.01 -23.16 25.1 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 118.784 -1.166 . . . . 101.02 113.079 -174.433 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2151 ' ' LEU . . . . . . . . . . . . . 83.4 mt -73.67 -42.45 61.31 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 118.754 -1.179 . . . . 62.03 111.975 171.356 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2152 ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -119.94 -6.66 10.02 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 114.807 1.41 . . . . 61.23 114.807 -166.594 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2153 ' ' GLY . . . . . . . . . . . . . . . -67.46 -38.28 90.75 Favored Glycine 0 C--N 1.336 0.566 0 C-N-CA 120.207 -0.997 . . . . 73.52 114.361 -169.251 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2154 ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -61.27 -45.38 94.75 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-N 117.699 0.75 . . . . 127.03 111.276 -179.063 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2155 ' ' ARG . . . . . 0.438 ' CG ' HH11 ' B' 2155 ' ' ARG . 0.0 OUTLIER -89.09 -19.72 25.21 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 123.32 0.648 . . . . 110.98 112.586 -173.698 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B 2156 ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -134.14 66.48 71.61 Favored Pre-proline 0 C--O 1.234 0.251 0 N-CA-C 108.709 -0.849 . . . . 67.83 108.709 179.544 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2157 ' ' PRO . . . . . . . . . . . . . 10.6 Cg_exo -57.06 -45.16 37.82 Favored 'Trans proline' 0 N--CA 1.476 0.467 0 N-CA-C 113.905 0.694 . . . . 65.07 113.905 -175.81 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2158 ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -58.29 -38.1 76.35 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 118.867 -1.133 . . . . 88.59 111.868 -175.185 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2159 ' ' TRP . . . . . . . . . . . . . 37.6 m0 -91.85 -25.07 19.14 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 114.136 1.162 . . . . 60.04 114.136 -175.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2160 ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -146.04 8.54 1.09 Allowed 'General case' 0 C--O 1.242 0.68 0 N-CA-C 113.153 0.797 . . . . 50.56 113.153 -171.194 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2161 ' ' GLY . . . . . . . . . . . . . . . -64.73 -15.56 60.03 Favored Glycine 0 CA--C 1.507 -0.407 0 C-N-CA 119.23 -1.462 . . . . 69.89 114.265 -174.317 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2162 ' ' THR . . . . . 0.975 HG22 ' H ' ' B' 2165 ' ' GLU . 0.5 OUTLIER -143.89 150.17 38.01 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.998 -1.112 . . . . 63.19 107.998 -170.442 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B 2163 ' ' LEU . . . . . . . . . . . . . 28.7 tp -53.24 -47.53 68.94 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.807 -0.633 . . . . 69.13 110.804 177.049 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2164 ' ' GLY . . . . . 0.412 ' H ' HG23 ' B' 2162 ' ' THR . . . -57.11 -43.59 93.31 Favored Glycine 0 C--N 1.333 0.365 0 C-N-CA 120.098 -1.049 . . . . 61.64 112.963 176.379 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2165 ' ' GLU . . . . . 0.975 ' H ' HG22 ' B' 2162 ' ' THR . 27.2 mt-10 -68.26 -39.35 82.23 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 118.752 -1.179 . . . . 91.69 111.135 -178.067 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2166 ' ' SER . . . . . . . . . . . . . 54.0 m -64.18 -39.54 94.21 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.745 -0.382 . . . . 59.41 111.142 177.431 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2167 ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -55.61 -51.29 67.67 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-O 121.289 0.566 . . . . 71.14 110.446 173.376 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2168 ' ' TYR . . . . . . . . . . . . . 64.0 t80 -55.4 -51.02 68.23 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-N 115.992 -0.549 . . . . 54.81 110.832 178.281 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2169 ' ' THR . . . . . . . . . . . . . 91.3 m -63.12 -42.96 99.63 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 119.648 -0.821 . . . . 50.65 110.719 -177.303 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2170 ' ' LEU . . . . . 0.45 HD23 ' HA ' ' B' 2170 ' ' LEU . 27.2 mt -58.4 -41.44 84.92 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 119.658 -0.817 . . . . 59.07 111.104 177.829 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2171 ' ' PHE . . . . . . . . . . . . . 77.0 t80 -60.71 -39.9 90.26 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 118.43 -1.308 . . . . 61.68 111.062 175.241 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2172 ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -61.48 -40.71 95.54 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 120.252 -0.579 . . . . 56.98 110.837 177.962 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2173 ' ' VAL . . . . . . . . . . . . . 82.2 t -65.39 -36.43 77.66 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 C-N-CA 120.368 -0.533 . . . . 57.31 110.003 178.745 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2174 ' ' MET . . . . . 0.659 ' HG3' HG11 ' B' 2205 ' ' VAL . 53.4 ttp -61.63 -41.96 98.22 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 120.026 -0.67 . . . . 70.64 111.372 177.542 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2175 ' ' THR . . . . . . . . . . . . . 33.0 p -72.62 -2.49 20.19 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 117.989 -1.484 . . . . 54.91 112.146 176.159 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2176 ' ' LEU . . . . . . . . . . . . . 24.5 mt 66.17 15.32 10.04 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 124.33 1.052 . . . . 52.12 112.924 -178.409 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2177 ' ' GLU . . . . . 0.484 ' OE1' ' OG ' ' B' 2178 ' ' SER . 1.6 tm-20 -76.91 111.79 12.82 Favored 'General case' 0 C--O 1.236 0.392 0 O-C-N 121.713 -0.617 . . . . 71.47 109.676 -177.186 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2178 ' ' SER . . . . . 0.484 ' OG ' ' OE1' ' B' 2177 ' ' GLU . 13.8 m 53.07 27.71 6.03 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.296 0.48 . . . . 57.35 112.296 177.098 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2179 ' ' TRP . . . . . . . . . . . . . 45.0 p-90 -61.52 -35.64 78.28 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 119.017 -1.073 . . . . 52.45 111.741 -173.025 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2180 ' ' SER . . . . . . . . . . . . . 30.6 t -94.65 -57.6 2.42 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 113.254 0.835 . . . . 47.2 113.254 -175.631 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2181 ' ' MET . . . . . . . . . . . . . 90.5 mmm -64.51 -33.36 75.7 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 118.855 -1.138 . . . . 58.76 110.937 179.234 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2182 ' ' GLY . . . . . 0.505 ' C ' HD12 ' B' 2183 ' ' ILE . . . -91.77 -28.72 13.27 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.353 -0.927 . . . . 59.42 115.217 -172.403 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2183 ' ' ILE . . . . . 0.505 HD12 ' C ' ' B' 2182 ' ' GLY . 1.7 mp -121.92 -58.64 2.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-N 118.103 0.952 . . . . 58.4 111.329 -175.266 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2184 ' ' VAL . . . . . . . . . . . . . 98.9 t -78.12 -40.11 25.69 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 C-N-CA 119.53 -0.868 . . . . 55.91 111.19 -163.304 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2185 ' ' ARG . . . . . 0.442 ' HB2' ' HD3' ' B' 2186 ' ' PRO . 68.1 mtt-85 -59.97 -50.58 85.74 Favored Pre-proline 0 C--O 1.247 0.932 0 C-N-CA 118.585 -1.246 . . . . 57.29 111.185 172.844 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2186 ' ' PRO . . . . . 0.442 ' HD3' ' HB2' ' B' 2185 ' ' ARG . 67.7 Cg_exo -53.48 -42.84 62.56 Favored 'Trans proline' 0 N--CA 1.478 0.587 0 CA-C-N 121.01 1.397 . . . . 53.9 112.938 172.797 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2187 ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.79 -39.0 90.17 Favored 'General case' 0 C--O 1.235 0.296 0 O-C-N 122.079 -0.388 . . . . 58.88 111.21 177.959 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2188 ' ' MET . . . . . 0.465 ' HA ' ' O ' ' B' 2191 ' ' TYR . 71.8 mtm -71.86 -16.01 62.14 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 112.788 0.662 . . . . 65.76 112.788 -174.149 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2189 ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -69.0 -26.52 65.05 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 119.998 -0.681 . . . . 109.46 111.036 175.896 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2190 ' ' VAL . . . . . . . . . . . . . 74.3 t -99.73 -40.79 8.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 122.585 0.354 . . . . 62.12 111.491 172.129 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2191 ' ' TYR . . . . . 0.465 ' O ' ' HA ' ' B' 2188 ' ' MET . 69.9 m-85 -120.75 88.75 44.28 Favored Pre-proline 0 C--O 1.242 0.668 0 N-CA-C 108.26 -1.015 . . . . 66.77 108.26 -175.926 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2192 ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -62.7 -14.52 40.75 Favored 'Trans proline' 0 C--O 1.237 0.47 0 N-CA-C 114.045 0.748 . . . . 62.16 114.045 -173.583 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2193 ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -98.79 7.7 45.77 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 119.024 0.829 . . . . 83.3 112.859 177.326 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2194 ' ' ALA . . . . . . . . . . . . . . . -50.44 -31.91 16.39 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 120.339 -0.544 . . . . 62.43 111.58 176.887 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2195 ' ' TRP . . . . . 0.441 ' O ' HG12 ' B' 2199 ' ' ILE . 60.5 p-90 -61.7 -26.01 67.78 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.699 -0.4 . . . . 62.75 111.677 -179.735 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2196 ' ' VAL . . . . . . . . . . . . . 94.7 t -69.31 -16.88 21.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 O-C-N 122.201 -0.312 . . . . 67.64 111.184 178.627 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2197 ' ' PHE . . . . . . . . . . . . . 56.0 t80 -91.89 -52.6 4.65 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 124.811 1.244 . . . . 64.19 111.201 178.162 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2198 ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -81.98 -31.78 30.96 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 113.799 1.037 . . . . 64.42 113.799 -171.068 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2199 ' ' ILE . . . . . 0.717 ' HB ' ' HD3' ' B' 2200 ' ' PRO . 48.8 mm -61.97 -60.38 10.39 Favored Pre-proline 0 C--O 1.243 0.754 0 N-CA-C 108.087 -1.079 . . . . 73.06 108.087 179.509 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2200 ' ' PRO . . . . . 0.717 ' HD3' ' HB ' ' B' 2199 ' ' ILE . 51.0 Cg_exo -53.09 -41.27 73.07 Favored 'Trans proline' 0 C--O 1.237 0.45 0 CA-C-N 118.871 0.632 . . . . 63.55 112.289 177.928 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2201 ' ' PHE . . . . . . . . . . . . . 81.5 t80 -53.76 -44.72 70.23 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.08 -0.648 . . . . 57.99 111.429 173.709 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2202 ' ' ILE . . . . . . . . . . . . . 69.7 mt -67.03 -37.55 79.57 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 C-N-CA 120.606 -0.438 . . . . 60.71 110.595 -179.73 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2203 ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -62.91 -51.02 68.57 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.039 -0.664 . . . . 81.65 110.289 -179.192 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2204 ' ' VAL . . . . . . . . . . . . . 69.3 t -58.4 -51.06 76.01 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-O 121.829 0.823 . . . . 64.67 110.406 -178.407 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2205 ' ' VAL . . . . . 0.815 ' HA ' ' HE1' ' B' 2137 ' ' MET . 0.9 OUTLIER -66.72 -34.36 69.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 O-C-N 121.919 -0.488 . . . . 66.85 110.808 -170.718 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B 2206 ' ' VAL . . . . . . . . . . . . . 46.6 t -79.76 -39.8 20.4 Favored 'Isoleucine or valine' 0 C--O 1.238 0.474 0 C-N-CA 119.87 -0.732 . . . . 63.32 110.388 179.275 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2207 ' ' PHE . . . . . . . . . . . . . 47.1 t80 -59.83 -41.28 91.0 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 121.861 -0.525 . . . . 69.28 110.965 176.802 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2208 ' ' VAL . . . . . . . . . . . . . 38.9 t -68.26 -41.79 84.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 C-N-CA 120.011 -0.676 . . . . 70.45 110.987 -178.033 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2209 ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -62.61 -48.54 78.94 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 119.065 -1.054 . . . . 114.96 111.059 179.766 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2210 ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.79 -46.78 95.78 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 C-N-CA 120.433 -0.507 . . . . 64.83 110.162 -177.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2211 ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -66.69 -25.92 66.78 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.393 -0.523 . . . . 81.59 111.798 -178.014 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2212 ' ' LEU . . . . . . . . . . . . . 11.6 tp -66.57 -43.36 85.18 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.199 -0.6 . . . . 86.33 110.942 173.619 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2213 ' ' VAL . . . . . . . . . . . . . 85.6 t -64.38 -42.91 96.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-O 120.908 0.385 . . . . 65.34 110.448 176.811 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2214 ' ' VAL . . . . . . . . . . . . . 38.5 t -61.26 -38.7 80.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 121.146 0.498 . . . . 67.32 110.105 -179.595 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2215 ' ' ALA . . . . . . . . . . . . . . . -73.14 -35.68 66.54 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 120.633 -0.427 . . . . 72.07 111.073 -175.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2216 ' ' ILE . . . . . . . . . . . . . 95.2 mt -64.06 -47.34 90.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 C-N-CA 119.998 -0.681 . . . . 72.86 110.205 177.86 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2217 ' ' ILE . . . . . 1.069 HG22 ' HE2' ' B' 2221 ' ' MET . 77.4 mt -64.58 -50.66 74.8 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 C-N-CA 120.137 -0.625 . . . . 68.01 110.327 -178.561 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2218 ' ' VAL . . . . . 1.057 ' HA ' ' HE3' ' B' 2221 ' ' MET . 71.3 t -67.37 -38.82 81.51 Favored 'Isoleucine or valine' 0 C--O 1.239 0.514 0 O-C-N 121.973 -0.454 . . . . 82.28 110.992 -173.624 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2219 ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -71.41 -34.98 70.82 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 119.554 -0.858 . . . . 80.67 111.546 178.172 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2220 ' ' ALA . . . . . . . . . . . . . . . -56.34 -45.46 80.37 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 119.534 -0.866 . . . . 80.56 110.622 173.381 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2221 ' ' MET . . . . . 1.069 ' HE2' HG22 ' B' 2217 ' ' ILE . 29.4 mtm -73.54 -30.75 63.27 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.046 -0.662 . . . . 114.21 111.872 -177.03 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2222 ' ' ALA . . . . . . . . . . . . . . . -55.41 -46.02 76.65 Favored 'General case' 0 C--O 1.241 0.627 0 C-N-CA 119.736 -0.786 . . . . 85.15 110.797 171.774 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2223 ' ' ILE . . . . . . . . . . . . . 57.8 mt -67.48 -44.23 86.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 C-N-CA 119.843 -0.743 . . . . 94.43 110.437 177.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2224 ' ' LEU . . . . . . . . . . . . . 77.2 mt -52.06 -41.7 62.54 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 119.911 -0.716 . . . . 88.33 111.034 174.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2225 ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -69.94 -40.93 75.18 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 120.992 -0.283 . . . . 99.96 111.239 -179.329 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2226 ' ' GLN . . . . . . . . . . . . . . . -59.43 -39.9 85.03 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 120.21 -0.596 . . . . 100.43 110.88 177.454 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2227 ' ' LYS . . . . . . . . . . . . . . . -67.82 -46.2 72.55 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 120.951 -0.299 . . . . 105.54 111.486 -175.993 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2228 ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -74.37 -27.43 60.66 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 119.412 -0.915 . . . . 125.39 111.49 -178.862 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2229 ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -61.01 -48.35 82.24 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 120.891 0.376 . . . . 122.88 111.015 173.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2230 ' ' GLN . . . . . . . . . . . . . . . -60.72 -42.04 96.47 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 119.955 -0.698 . . . . 116.96 111.209 177.252 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2231 ' ' HIS . . . . . . . . . . . . . 54.9 m170 -62.16 -46.27 89.73 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.286 -0.565 . . . . 137.66 111.203 -179.835 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2232 ' ' ILE . . . . . . . . . . . . . 96.5 mt -65.14 -46.24 91.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-O 121.177 0.513 . . . . 133.36 110.378 179.786 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2233 ' ' ILE . . . . . . . . . . . . . 21.7 mt -62.39 -42.9 97.32 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 O-C-N 121.924 -0.485 . . . . 135.76 110.724 -177.993 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2234 ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -56.06 -44.3 78.74 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 121.831 -0.543 . . . . 154.63 111.078 177.41 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2235 ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -59.21 -50.22 74.86 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 120.507 -0.477 . . . . 156.98 110.899 175.753 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2236 ' ' VAL . . . . . . . . . . . . . . . -54.92 -47.49 75.93 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 CA-C-O 121.317 0.579 . . . . 150.43 110.17 175.347 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2237 ' ' GLN . . . . . . . . . . . . . . . -61.88 -34.02 75.27 Favored 'General case' 0 C--O 1.238 0.489 0 O-C-N 121.972 -0.455 . . . . 151.7 111.301 178.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2238 ' ' SER . . . . . . . . . . . . . . . -84.28 -35.65 23.2 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 112.021 0.378 . . . . 165.34 112.021 -176.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2239 ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 O-C-N 121.917 -0.489 . . . . 176.14 110.977 178.713 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2301 ' ' PX4 . . . . . 0.489 ' H6 ' ' O3 ' ' B' 2301 ' ' PX4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2302 ' ' PX4 . . . . . 0.446 ' H63' ' H38' ' B' 2302 ' ' PX4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2303 ' ' PX4 . . . . . 0.523 ' H26' ' H56' ' B' 2303 ' ' PX4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2304 ' ' PX4 . . . . . 0.488 ' H18' ' CZ2' ' B' 2076 ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2305 ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2306 ' ' CPS . . . . . 0.679 ' C21' H10A ' B' 2306 ' ' CPS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2307 ' ' CPS . . . . . 0.697 H10B ' C22' ' B' 2307 ' ' CPS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2401 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 nobuild full ' B' B 1999 ' ' SER . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 -0.315 0 N-CA-C 110.146 -0.316 . . . . 121.83 110.146 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2000 ' ' HIS . . . . . . . . . . . . . . . -120.24 -58.23 1.87 Allowed 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.914 -0.585 . . . . 125.25 111.322 178.326 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2001 ' ' MET . . . . . . . . . . . . . . . -60.5 -26.87 67.15 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 119.656 -0.818 . . . . 125.23 110.678 168.392 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2002 ' ' TYR . . . . . . . . . . . . . 65.3 t80 -57.6 -58.44 8.31 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.074 0.464 . . . . 121.42 110.944 173.864 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2003 ' ' LEU . . . . . . . . . . . . . 66.8 mt -59.55 -29.62 68.05 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 120.366 -0.534 . . . . 101.95 111.891 -177.005 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2004 ' ' ARG . . . . . . . . . . . . . . . -57.93 -53.19 61.01 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 119.694 -0.802 . . . . 96.58 110.553 177.862 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2005 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -74.33 -25.23 19.44 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 C-N-CA 120.006 -0.677 . . . . 109.17 112.072 179.653 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2006 ' ' THR . . . . . . . . . . . . . 22.2 m -66.02 -37.81 86.83 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 119.671 -0.812 . . . . 95.77 111.101 177.65 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2007 ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -67.2 -32.79 74.09 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 119.204 -0.998 . . . . 113.14 111.101 175.731 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2008 ' ' ILE . . . . . . . . . . . . . 42.4 mm -66.19 -59.09 4.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-O 121.223 0.535 . . . . 90.66 110.257 173.634 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2009 ' ' VAL . . . . . . . . . . . . . 47.4 t -59.81 -29.86 43.92 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 O-C-N 122.079 -0.388 . . . . 96.8 111.364 -173.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2010 ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -89.36 -6.83 56.31 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 113.014 0.746 . . . . 121.82 113.014 -179.487 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2011 ' ' SER . . . . . . . . . . . . . 55.2 p -70.07 151.89 44.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.976 0.893 . . . . 109.24 111.427 -172.794 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2012 ' ' SER . . . . . . . . . . . . . 7.3 t -59.78 -38.3 81.49 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 114.994 -1.003 . . . . 109.64 111.054 174.098 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2013 ' ' PHE . . . . . . . . . . . . . . . -63.25 -47.53 82.04 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.615 -0.434 . . . . 96.6 111.19 -179.878 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2014 ' ' PHE . . . . . . . . . . . . . 42.7 t80 -51.87 -50.63 60.6 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.644 -0.422 . . . . 92.59 111.166 179.443 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2015 ' ' THR . . . . . 0.449 ' O ' HG13 ' B' 2019 ' ' ILE . 95.3 m -67.78 -37.58 82.25 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.064 -0.654 . . . . 102.19 111.23 -176.726 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2016 ' ' LYS . . . . . . . . . . . . . . . -66.89 -45.93 76.49 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 119.971 -0.692 . . . . 86.39 110.937 179.14 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2017 ' ' PHE . . . . . . . . . . . . . 65.9 t80 -50.4 -52.22 39.37 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 120.861 0.362 . . . . 97.33 111.529 176.319 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2018 ' ' ILE . . . . . 0.438 ' O ' HG13 ' B' 2022 ' ' ILE . 40.5 mm -60.94 -40.37 85.18 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 C-N-CA 120.296 -0.562 . . . . 78.22 110.667 -176.811 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2019 ' ' ILE . . . . . 0.449 HG13 ' O ' ' B' 2015 ' ' THR . 72.2 mt -63.49 -44.26 98.69 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 C-N-CA 119.748 -0.781 . . . . 82.74 110.222 177.631 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2020 ' ' TYR . . . . . . . . . . . . . 68.7 t80 -48.43 -51.32 27.39 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 120.833 0.349 . . . . 133.48 111.178 172.837 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2021 ' ' LEU . . . . . . . . . . . . . 26.3 mt -61.18 -42.13 98.03 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 120.663 -0.415 . . . . 90.72 111.433 179.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2022 ' ' ILE . . . . . 0.438 HG13 ' O ' ' B' 2018 ' ' ILE . 91.0 mt -58.38 -44.23 88.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 C-N-CA 120.251 -0.58 . . . . 84.0 110.457 179.61 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2023 ' ' VAL . . . . . . . . . . . . . 52.6 t -68.63 -45.42 81.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 C-N-CA 119.989 -0.684 . . . . 86.82 110.591 -179.018 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2024 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.99 -56.56 19.23 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.127 0.489 . . . . 93.94 110.91 175.998 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2025 ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -60.02 -30.18 68.99 Favored 'General case' 0 C--O 1.238 0.487 0 O-C-N 122.223 -0.298 . . . . 95.42 111.636 179.76 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2026 ' ' GLY . . . . . . . . . . . . . . . -66.47 -45.04 88.6 Favored Glycine 0 C--N 1.334 0.435 0 C-N-CA 119.726 -1.226 . . . . 73.94 111.671 175.312 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2027 ' ' ILE . . . . . . . . . . . . . 95.5 mt -57.22 -48.14 82.81 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 CA-C-O 121.436 0.636 . . . . 82.6 110.072 172.67 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2028 ' ' THR . . . . . 0.572 HG23 ' CG2' ' B' 2045 ' ' THR . 0.7 OUTLIER -55.96 -43.05 77.16 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 116.271 -0.422 . . . . 87.64 111.966 -179.643 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B 2029 ' ' MET . . . . . . . . . . . . . 29.1 mtt -69.26 -28.36 66.25 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 119.563 -0.855 . . . . 99.66 111.989 -177.011 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2030 ' ' GLY . . . . . 0.466 ' O ' ' HB ' ' B' 2033 ' ' THR . . . -70.47 -38.42 69.4 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 119.722 -1.228 . . . . 85.67 112.34 170.885 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2031 ' ' LEU . . . . . . . . . . . . . 2.2 mp -63.73 -44.16 94.38 Favored 'General case' 0 C--O 1.236 0.353 0 O-C-N 122.207 -0.584 . . . . 83.15 111.518 177.429 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2032 ' ' GLU . . . . . 0.489 ' HG3' HG21 ' B' 2045 ' ' THR . 55.1 mt-10 -57.62 -3.98 0.23 Allowed 'General case' 0 C--O 1.236 0.377 0 N-CA-C 112.803 0.668 . . . . 111.59 112.803 177.414 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2033 ' ' THR . . . . . 0.466 ' HB ' ' O ' ' B' 2030 ' ' GLY . 1.6 m -79.87 -23.17 42.1 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 118.23 0.468 . . . . 75.21 111.627 177.908 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2034 ' ' SER . . . . . . . . . . . . . 2.7 t -87.92 122.62 31.75 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 109.276 -0.638 . . . . 85.12 109.276 -177.897 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2035 ' ' LYS . . . . . . . . . . . . . . . -58.26 -43.24 87.81 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 120.105 -0.638 . . . . 84.52 110.821 173.687 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2036 ' ' THR . . . . . . . . . . . . . 41.0 m -53.19 -55.08 27.14 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.254 -0.578 . . . . 105.54 110.835 175.261 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2037 ' ' PHE . . . . . 0.57 ' HD2' ' HE3' ' B' 2038 ' ' MET . 82.0 t80 -55.77 -44.94 78.17 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.067 -0.653 . . . . 90.03 111.093 -177.761 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2038 ' ' MET . . . . . 0.913 ' HE2' ' HA ' ' B' 2038 ' ' MET . 9.5 mmt -62.68 -38.8 91.81 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.17 -0.612 . . . . 99.3 111.415 -177.395 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2039 ' ' GLN . . . . . . . . . . . . . . . -58.91 -36.79 75.3 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 119.937 -0.705 . . . . 114.58 111.154 179.204 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2040 ' ' SER . . . . . . . . . . . . . 49.1 m -87.3 -50.24 6.72 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 112.38 0.511 . . . . 134.99 112.38 -176.37 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2041 ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -122.43 15.06 10.41 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 112.82 0.674 . . . . 114.69 112.82 -169.228 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2042 ' ' GLY . . . . . 0.482 ' HA2' ' CE ' ' B' 2038 ' ' MET . . . -55.48 -39.07 72.57 Favored Glycine 0 CA--C 1.523 0.564 0 C-N-CA 119.923 -1.132 . . . . 104.03 112.666 178.348 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2043 ' ' VAL . . . . . . . . . . . . . . . -56.19 -49.52 75.72 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 C-N-CA 119.987 -0.685 . . . . 111.85 110.141 179.241 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2044 ' ' TYR . . . . . . . . . . . . . . . -60.44 -50.57 73.05 Favored 'General case' 0 C--O 1.236 0.379 0 O-C-N 121.765 -0.585 . . . . 113.95 111.317 -179.009 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2045 ' ' THR . . . . . 0.572 ' CG2' HG23 ' B' 2028 ' ' THR . 6.6 m -61.81 -34.07 75.26 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 120.408 -0.517 . . . . 118.32 111.974 -174.885 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2046 ' ' THR . . . . . . . . . . . . . 30.5 m -67.81 -43.2 80.2 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.292 -0.563 . . . . 110.93 111.215 -176.291 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2047 ' ' LEU . . . . . . . . . . . . . . . -66.9 -40.37 87.7 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.338 -0.545 . . . . 118.06 110.894 177.15 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2048 ' ' PHE . . . . . . . . . . . . . 83.7 t80 -59.24 -35.53 73.83 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.082 -0.647 . . . . 104.29 111.093 176.039 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2049 ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -65.52 -45.48 83.31 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 119.809 -0.756 . . . . 100.88 110.766 174.555 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2050 ' ' GLN . . . . . 0.414 ' HA ' HG22 ' B' 2053 ' ' ILE . . . -62.37 -40.56 96.84 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 119.732 -0.787 . . . . 101.69 110.843 177.235 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2051 ' ' ILE . . . . . . . . . . . . . 14.3 mt -60.57 -53.46 48.66 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 CA-C-O 121.218 0.532 . . . . 96.83 110.284 177.44 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2052 ' ' VAL . . . . . . . . . . . . . 6.4 t -54.9 -44.68 73.89 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 C-N-CA 120.463 -0.495 . . . . 90.41 110.355 -178.243 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2053 ' ' ILE . . . . . 0.414 HG22 ' HA ' ' B' 2050 ' ' GLN . 6.4 tt -68.54 -33.63 60.98 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 C-N-CA 119.336 -0.946 . . . . 114.78 110.963 -177.622 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2054 ' ' THR . . . . . . . . . . . . . 64.7 m -61.85 -47.97 82.65 Favored 'General case' 0 C--O 1.237 0.41 0 O-C-N 121.873 -0.517 . . . . 95.29 110.666 173.16 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2055 ' ' ILE . . . . . . . . . . . . . 14.9 mt -59.57 -45.3 94.18 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 C-N-CA 120.543 -0.463 . . . . 89.91 110.194 177.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2056 ' ' PHE . . . . . . . . . . . . . 13.4 m-30 -62.61 -34.72 77.6 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 120.098 -0.641 . . . . 96.63 111.406 178.463 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2057 ' ' THR . . . . . 0.412 ' O ' HG13 ' B' 2061 ' ' ILE . 78.7 m -64.5 -48.5 74.94 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 119.854 -0.738 . . . . 91.55 110.87 176.125 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2058 ' ' ILE . . . . . . . . . . . . . 41.6 mm -55.94 -42.68 72.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 CA-C-O 121.148 0.499 . . . . 100.04 110.433 175.163 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2059 ' ' GLU . . . . . 0.522 ' OE1' ' NH2' ' B' 2108 ' ' ARG . 10.5 tt0 -62.04 -52.32 64.43 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 121.934 -0.479 . . . . 110.3 111.05 -178.154 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2060 ' ' ILE . . . . . . . . . . . . . 46.9 mm -54.11 -47.42 66.63 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 CA-C-O 121.117 0.485 . . . . 88.07 110.133 177.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2061 ' ' ILE . . . . . 0.412 HG13 ' O ' ' B' 2057 ' ' THR . 76.2 mt -56.88 -50.41 75.53 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 CA-C-O 121.171 0.51 . . . . 89.33 110.382 178.867 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2062 ' ' LEU . . . . . . . . . . . . . 73.8 mt -58.59 -43.58 89.56 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 119.989 -0.684 . . . . 94.22 111.036 178.528 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2063 ' ' ARG . . . . . 0.429 ' NH2' ' HB3' ' B' 2077 ' ' SER . 76.3 mtp180 -63.85 -31.16 72.25 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.683 -0.407 . . . . 91.25 111.754 -177.471 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2064 ' ' ILE . . . . . . . . . . . . . 95.6 mt -74.71 -41.2 47.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 C-N-CA 120.374 -0.53 . . . . 101.6 110.829 178.716 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2065 ' ' TYR . . . . . . . . . . . . . . . -61.59 -31.73 71.8 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 119.431 -0.908 . . . . 98.92 111.232 175.635 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2066 ' ' VAL . . . . . . . . . . . . . 51.3 t -82.67 -41.77 17.76 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.792 0 C-N-CA 119.673 -0.811 . . . . 97.42 112.673 -179.361 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2067 ' ' HIS . . . . . . . . . . . . . 67.5 m80 -91.38 -12.89 33.56 Favored 'General case' 0 CA--C 1.492 -1.279 0 N-CA-C 114.834 1.42 . . . . 99.61 114.834 -178.111 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2068 ' ' ARG . . . . . . . . . . . . . . . 54.1 -128.77 2.29 Favored 'General case' 0 C--O 1.199 -1.601 0 O-C-N 123.693 0.62 . . . . 103.74 111.977 179.27 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2069 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -39.08 84.13 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.597 0 N-CA-C 113.59 0.959 . . . . 120.92 113.59 -179.618 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2070 ' ' SER . . . . . . . . . . . . . 32.7 m -50.83 -22.71 2.3 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 119.257 -0.401 . . . . 115.99 112.061 179.934 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2071 ' ' PHE . . . . . . . . . . . . . 28.8 t80 -65.31 -45.22 85.22 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 118.278 0.49 . . . . 92.84 111.211 -179.381 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2072 ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -86.49 -1.85 57.95 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 112.752 0.649 . . . . 111.91 112.752 -175.786 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2073 ' ' LYS . . . . . . . . . . . . . . . -100.08 12.19 37.53 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 122.906 0.482 . . . . 98.26 111.926 169.966 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2074 ' ' ASP . . . . . . . . . . . . . 9.5 t70 -118.12 117.82 34.83 Favored Pre-proline 0 C--O 1.245 0.839 0 C-N-CA 124.461 1.105 . . . . 101.92 109.335 -176.089 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2075 ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -64.7 -35.56 45.81 Favored 'Trans proline' 0 C--O 1.238 0.49 0 CA-C-N 119.294 0.783 . . . . 94.04 113.256 -172.782 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2076 ' ' TRP . . . . . 0.488 ' CZ2' ' H18' ' B' 2304 ' ' PX4 . 47.9 m95 -64.71 -40.5 95.45 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.568 -0.453 . . . . 86.31 111.331 -178.675 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2077 ' ' SER . . . . . 0.429 ' HB3' ' NH2' ' B' 2063 ' ' ARG . 33.5 p -79.36 -31.66 43.01 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 119.33 -0.948 . . . . 88.82 111.431 178.877 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2078 ' ' LEU . . . . . . . . . . . . . 70.2 mt -55.46 -44.58 76.52 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 119.95 -0.7 . . . . 89.53 110.783 169.633 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2079 ' ' PHE . . . . . . . . . . . . . 65.2 t80 -63.83 -47.62 80.05 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.416 -0.514 . . . . 82.73 111.035 177.343 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2080 ' ' ASP . . . . . 0.578 ' OD2' HG21 ' B' 2111 ' ' THR . 75.1 m-20 -51.96 -45.3 64.36 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 119.919 -0.713 . . . . 98.39 110.377 174.493 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2081 ' ' PHE . . . . . . . . . . . . . 55.4 t80 -58.33 -60.13 4.25 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 120.892 0.377 . . . . 87.3 110.908 -179.036 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2082 ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -65.13 -33.79 76.85 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 119.456 -0.898 . . . . 116.18 111.699 -174.191 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2083 ' ' VAL . . . . . 0.657 HG11 ' HA ' ' B' 2105 ' ' ARG . 1.0 OUTLIER -68.24 -37.51 78.15 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 C-N-CA 120.042 -0.663 . . . . 93.87 110.679 179.205 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B 2084 ' ' VAL . . . . . . . . . . . . . 76.1 t -75.98 -33.63 25.48 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 C-N-CA 118.651 -1.219 . . . . 91.91 110.46 176.439 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2085 ' ' ALA . . . . . . . . . . . . . . . -63.48 -45.49 90.52 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 122.069 -0.395 . . . . 91.79 111.498 177.811 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2086 ' ' ILE . . . . . . . . . . . . . 72.9 mt -50.22 -52.56 14.35 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 CA-C-O 121.559 0.695 . . . . 95.8 110.02 174.32 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2087 ' ' SER . . . . . 0.405 ' OG ' ' NH2' ' B' 2105 ' ' ARG . 27.8 t -63.17 -5.35 3.13 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 112.435 0.531 . . . . 107.81 112.435 -177.646 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2088 ' ' LEU . . . . . . . . . . . . . . . -94.27 -23.77 17.71 Favored 'General case' 0 C--O 1.211 -0.926 0 C-N-CA 119.953 -0.699 . . . . 107.71 112.566 -178.729 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2089 ' ' VAL . . . . . 0.765 HG13 ' HD2' ' B' 2090 ' ' PRO . 70.9 t -62.15 132.91 94.0 Favored Pre-proline 0 C--O 1.212 -0.88 0 N-CA-C 107.712 -1.218 . . . . 115.74 107.712 179.256 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2090 ' ' PRO . . . . . 0.765 ' HD2' HG13 ' B' 2089 ' ' VAL . 60.8 Cg_endo -64.23 140.58 71.71 Favored 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 122.069 1.846 . . . . 117.33 114.302 -176.899 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2091 ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.321 -0.654 0 CA-C-N 113.535 -1.666 . . . . 140.09 110.255 179.677 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2096 ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.057 0 CA-C-O 120.592 0.234 . . . . 142.66 111.165 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2097 ' ' ILE . . . . . . . . . . . . . 10.9 tt -66.11 -24.35 33.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 C-N-CA 119.609 -0.836 . . . . 99.68 110.411 175.52 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2098 ' ' LEU . . . . . . . . . . . . . 45.4 mt -62.25 -32.94 73.7 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 119.769 -0.772 . . . . 102.85 111.071 175.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2099 ' ' ARG . . . . . . . . . . . . . . . -56.68 -34.23 67.2 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 119.271 -0.972 . . . . 85.27 110.85 174.696 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2100 ' ' VAL . . . . . . . . . . . . . 98.6 t -81.21 -35.46 14.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 C-N-CA 120.33 -0.548 . . . . 75.54 110.85 -179.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2101 ' ' LEU . . . . . 0.488 HD22 HD11 ' B' 2104 ' ' LEU . 25.0 mt -65.31 -11.92 46.58 Favored 'General case' 0 C--O 1.233 0.223 0 O-C-N 121.732 -0.605 . . . . 79.12 112.118 177.96 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2102 ' ' ARG . . . . . 0.706 HH21 ' CG ' ' B' 2102 ' ' ARG . 2.1 mtt-85 -60.67 -35.73 76.98 Favored 'General case' 0 N--CA 1.418 -2.06 0 N-CA-C 108.578 -0.897 . . . . 112.79 108.578 179.263 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2103 ' ' VAL . . . . . . . . . . . . . 78.2 t -55.89 -23.24 14.86 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.23 0 O-C-N 121.774 -0.579 . . . . 79.12 111.449 -178.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2104 ' ' LEU . . . . . 0.488 HD11 HD22 ' B' 2101 ' ' LEU . 74.5 mt -60.91 -21.7 63.62 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 120.371 -0.532 . . . . 73.99 112.16 -179.382 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2105 ' ' ARG . . . . . 0.657 ' HA ' HG11 ' B' 2083 ' ' VAL . 7.4 ptp85 -60.62 -11.48 7.35 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 119.921 -0.712 . . . . 103.56 112.729 174.213 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2106 ' ' LEU . . . . . . . . . . . . . 25.0 mt -73.82 -29.02 61.91 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 119.296 -0.962 . . . . 83.32 111.528 174.364 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2107 ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -58.39 -15.51 10.94 Favored 'General case' 0 CA--C 1.515 -0.369 0 C-N-CA 120.261 -0.576 . . . . 75.78 111.445 171.224 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2108 ' ' ARG . . . . . 0.522 ' NH2' ' OE1' ' B' 2059 ' ' GLU . 0.0 OUTLIER -53.84 -25.15 18.2 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.859 -0.336 . . . . 104.76 111.382 171.595 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B 2109 ' ' LEU . . . . . . . . . . . . . 24.8 tp -66.24 -24.54 66.61 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.851 -0.34 . . . . 84.53 111.337 176.082 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2110 ' ' VAL . . . . . . . . . . . . . 77.3 t -75.66 -39.21 39.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 CA-C-O 120.672 0.272 . . . . 85.09 110.579 170.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2111 ' ' THR . . . . . 0.578 HG21 ' OD2' ' B' 2080 ' ' ASP . 22.6 m -62.99 -39.27 94.21 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.459 -0.496 . . . . 106.81 111.317 -179.819 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2112 ' ' ALA . . . . . . . . . . . . . . . -85.97 -23.9 26.72 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 113.71 1.004 . . . . 86.28 113.71 -169.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2113 ' ' VAL . . . . . . . . . . . . . 61.7 t -98.63 113.22 64.08 Favored Pre-proline 0 C--O 1.242 0.658 0 N-CA-C 108.108 -1.071 . . . . 87.27 108.108 -174.571 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2114 ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -58.56 -39.47 82.71 Favored 'Trans proline' 0 N--CA 1.477 0.55 0 CA-C-N 119.044 0.694 . . . . 85.86 113.834 -176.31 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2115 ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.84 -44.44 66.74 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 118.652 0.66 . . . . 133.99 111.27 176.457 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2116 ' ' MET . . . . . . . . . . . . . 12.3 mmt -67.97 -37.97 82.17 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.347 -0.541 . . . . 122.21 111.428 -177.788 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2117 ' ' ARG . . . . . . . . . . . . . 14.4 mtm180 -58.46 -45.16 89.16 Favored 'General case' 0 C--O 1.24 0.568 0 C-N-CA 120.491 -0.483 . . . . 125.39 111.403 176.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2118 ' ' LYS . . . . . . . . . . . . . . . -61.71 -40.98 96.95 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 120.202 -0.599 . . . . 84.34 110.904 -177.825 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2119 ' ' ILE . . . . . . . . . . . . . 1.2 mm -55.77 -53.88 32.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 CA-C-O 121.499 0.666 . . . . 90.24 110.196 173.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2120 ' ' VAL . . . . . 0.422 ' O ' HG12 ' B' 2124 ' ' ILE . 74.5 t -65.02 -45.48 94.42 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 C-N-CA 119.597 -0.841 . . . . 73.48 110.582 -175.076 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2121 ' ' SER . . . . . . . . . . . . . 22.2 m -55.16 -50.99 67.91 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.214 -0.594 . . . . 85.73 110.956 175.694 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2122 ' ' ALA . . . . . . . . . . . . . . . -52.97 -49.46 66.07 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.704 -0.398 . . . . 76.98 111.055 177.68 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2123 ' ' LEU . . . . . . . . . . . . . 15.1 mt -64.01 -40.92 97.42 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 119.848 -0.741 . . . . 86.26 111.228 -176.766 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2124 ' ' ILE . . . . . 0.422 HG12 ' O ' ' B' 2120 ' ' VAL . 14.2 mm -65.07 -23.21 32.89 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 N-CA-C 112.02 0.378 . . . . 92.41 112.02 -179.736 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2125 ' ' SER . . . . . . . . . . . . . 84.1 p -71.87 -18.27 62.06 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 119.58 -0.848 . . . . 79.12 112.974 -167.155 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2126 ' ' VAL . . . . . 0.408 HG12 H16A ' B' 2307 ' ' CPS . 28.9 m -73.19 -19.96 18.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 C-N-CA 119.029 -1.069 . . . . 73.31 111.793 173.885 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2127 ' ' ILE . . . . . . . . . . . . . 29.1 mt -70.26 -46.61 20.73 Favored Pre-proline 0 C--O 1.239 0.543 0 O-C-N 121.809 -0.557 . . . . 74.52 111.077 -163.685 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2128 ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -50.95 -46.5 30.34 Favored 'Trans proline' 0 N--CA 1.476 0.493 0 CA-C-N 120.415 1.184 . . . . 84.19 113.471 -177.923 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2129 ' ' GLY . . . . . . . . . . . . . . . -68.97 -5.99 50.1 Favored Glycine 0 CA--C 1.519 0.343 0 CA-C-O 118.8 -1.0 . . . . 82.97 115.296 175.325 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2130 ' ' MET . . . . . 0.471 ' HE2' HD11 ' B' 2134 ' ' ILE . 30.2 mtp -99.76 -8.84 23.72 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 118.851 1.325 . . . . 82.61 113.365 179.008 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2131 ' ' LEU . . . . . . . . . . . . . 85.0 mt -58.69 -41.7 86.86 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 118.343 0.52 . . . . 89.46 112.076 -170.587 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2132 ' ' SER . . . . . . . . . . . . . 56.7 p -65.51 -41.87 92.69 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 119.018 -1.073 . . . . 84.62 111.011 -178.977 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2133 ' ' VAL . . . . . . . . . . . . . 84.0 t -61.39 -45.33 98.85 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 C-N-CA 119.956 -0.698 . . . . 68.81 110.542 173.472 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2134 ' ' ILE . . . . . 0.471 HD11 ' HE2' ' B' 2130 ' ' MET . 74.1 mt -58.4 -44.32 88.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 O-C-N 121.674 -0.642 . . . . 77.43 110.313 177.742 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2135 ' ' ALA . . . . . . . . . . . . . . . -59.03 -49.05 79.37 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.024 0.44 . . . . 66.61 111.045 176.61 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2136 ' ' LEU . . . . . . . . . . . . . 32.1 tp -55.71 -42.84 75.86 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.863 0.364 . . . . 68.14 111.284 176.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2137 ' ' MET . . . . . 0.815 ' HE1' ' HA ' ' B' 2205 ' ' VAL . 5.3 tpt -67.92 -39.07 83.59 Favored 'General case' 0 C--O 1.242 0.686 0 O-C-N 122.086 -0.384 . . . . 111.1 110.871 -179.19 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2138 ' ' THR . . . . . . . . . . . . . 92.1 m -66.24 -40.94 90.58 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 120.573 0.225 . . . . 70.1 111.124 178.885 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2139 ' ' LEU . . . . . . . . . . . . . 48.1 tp -58.72 -44.45 90.44 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.211 -0.596 . . . . 67.27 110.604 171.536 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2140 ' ' PHE . . . . . . . . . . . . . 59.3 t80 -56.64 -52.9 63.11 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 120.892 0.377 . . . . 65.02 111.153 177.281 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2141 ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -54.52 -44.01 72.39 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 120.069 -0.652 . . . . 65.47 111.03 176.208 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2142 ' ' TYR . . . . . . . . . . . . . 65.5 t80 -61.19 -48.47 81.4 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 120.855 0.36 . . . . 71.21 111.138 -175.484 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2143 ' ' ILE . . . . . . . . . . . . . 81.2 mt -61.43 -45.65 98.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-O 121.225 0.536 . . . . 65.07 110.597 -179.731 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2144 ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -72.29 -27.59 62.56 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 119.29 -0.964 . . . . 67.2 111.826 -178.023 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2145 ' ' ALA . . . . . . . . . . . . . . . -68.5 -42.91 77.94 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 119.721 -0.792 . . . . 61.2 110.447 175.51 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2146 ' ' ILE . . . . . . . . . . . . . 54.2 mt -57.98 -49.39 81.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 C-N-CA 120.48 -0.488 . . . . 65.61 110.247 173.737 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2147 ' ' MET . . . . . . . . . . . . . 93.5 mtp -61.8 -42.43 99.0 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 119.161 -1.016 . . . . 78.83 111.391 -178.342 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2148 ' ' ALA . . . . . . . . . . . . . . . -69.97 -37.53 75.8 Favored 'General case' 0 C--O 1.242 0.697 0 C-N-CA 119.407 -0.917 . . . . 60.14 110.755 -176.357 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2149 ' ' THR . . . . . . . . . . . . . 64.2 m -55.38 -44.19 75.84 Favored 'General case' 0 CA--C 1.513 -0.459 0 C-N-CA 119.134 -1.026 . . . . 64.28 110.564 178.112 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2150 ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -87.01 -23.16 25.1 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 118.784 -1.166 . . . . 101.02 113.079 -174.433 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2151 ' ' LEU . . . . . . . . . . . . . 83.4 mt -73.67 -42.45 61.31 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 118.754 -1.179 . . . . 62.03 111.975 171.356 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2152 ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -119.94 -6.66 10.02 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 114.807 1.41 . . . . 61.23 114.807 -166.594 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2153 ' ' GLY . . . . . . . . . . . . . . . -67.46 -38.28 90.75 Favored Glycine 0 C--N 1.336 0.566 0 C-N-CA 120.207 -0.997 . . . . 73.52 114.361 -169.251 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2154 ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -61.27 -45.38 94.75 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-N 117.699 0.75 . . . . 127.03 111.276 -179.063 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2155 ' ' ARG . . . . . 0.438 ' CG ' HH11 ' B' 2155 ' ' ARG . 0.0 OUTLIER -89.09 -19.72 25.21 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 123.32 0.648 . . . . 110.98 112.586 -173.698 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B 2156 ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -134.14 66.48 71.61 Favored Pre-proline 0 C--O 1.234 0.251 0 N-CA-C 108.709 -0.849 . . . . 67.83 108.709 179.544 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2157 ' ' PRO . . . . . . . . . . . . . 10.6 Cg_exo -57.06 -45.16 37.82 Favored 'Trans proline' 0 N--CA 1.476 0.467 0 N-CA-C 113.905 0.694 . . . . 65.07 113.905 -175.81 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2158 ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -58.29 -38.1 76.35 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 118.867 -1.133 . . . . 88.59 111.868 -175.185 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2159 ' ' TRP . . . . . . . . . . . . . 37.6 m0 -91.85 -25.07 19.14 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 114.136 1.162 . . . . 60.04 114.136 -175.923 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2160 ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -146.04 8.54 1.09 Allowed 'General case' 0 C--O 1.242 0.68 0 N-CA-C 113.153 0.797 . . . . 50.56 113.153 -171.194 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2161 ' ' GLY . . . . . . . . . . . . . . . -64.73 -15.56 60.03 Favored Glycine 0 CA--C 1.507 -0.407 0 C-N-CA 119.23 -1.462 . . . . 69.89 114.265 -174.317 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2162 ' ' THR . . . . . 0.975 HG22 ' H ' ' B' 2165 ' ' GLU . 0.5 OUTLIER -143.89 150.17 38.01 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.998 -1.112 . . . . 63.19 107.998 -170.442 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B 2163 ' ' LEU . . . . . . . . . . . . . 28.7 tp -53.24 -47.53 68.94 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.807 -0.633 . . . . 69.13 110.804 177.049 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2164 ' ' GLY . . . . . 0.412 ' H ' HG23 ' B' 2162 ' ' THR . . . -57.11 -43.59 93.31 Favored Glycine 0 C--N 1.333 0.365 0 C-N-CA 120.098 -1.049 . . . . 61.64 112.963 176.379 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2165 ' ' GLU . . . . . 0.975 ' H ' HG22 ' B' 2162 ' ' THR . 27.2 mt-10 -68.26 -39.35 82.23 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 118.752 -1.179 . . . . 91.69 111.135 -178.067 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2166 ' ' SER . . . . . . . . . . . . . 54.0 m -64.18 -39.54 94.21 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.745 -0.382 . . . . 59.41 111.142 177.431 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2167 ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -55.61 -51.29 67.67 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-O 121.289 0.566 . . . . 71.14 110.446 173.376 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2168 ' ' TYR . . . . . . . . . . . . . 64.0 t80 -55.4 -51.02 68.23 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-N 115.992 -0.549 . . . . 54.81 110.832 178.281 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2169 ' ' THR . . . . . . . . . . . . . 91.3 m -63.12 -42.96 99.63 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 119.648 -0.821 . . . . 50.65 110.719 -177.303 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2170 ' ' LEU . . . . . 0.45 HD23 ' HA ' ' B' 2170 ' ' LEU . 27.2 mt -58.4 -41.44 84.92 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 119.658 -0.817 . . . . 59.07 111.104 177.829 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2171 ' ' PHE . . . . . . . . . . . . . 77.0 t80 -60.71 -39.9 90.26 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 118.43 -1.308 . . . . 61.68 111.062 175.241 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2172 ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -61.48 -40.71 95.54 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 120.252 -0.579 . . . . 56.98 110.837 177.962 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2173 ' ' VAL . . . . . . . . . . . . . 82.2 t -65.39 -36.43 77.66 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 C-N-CA 120.368 -0.533 . . . . 57.31 110.003 178.745 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2174 ' ' MET . . . . . 0.659 ' HG3' HG11 ' B' 2205 ' ' VAL . 53.4 ttp -61.63 -41.96 98.22 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 120.026 -0.67 . . . . 70.64 111.372 177.542 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2175 ' ' THR . . . . . . . . . . . . . 33.0 p -72.62 -2.49 20.19 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 117.989 -1.484 . . . . 54.91 112.146 176.159 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2176 ' ' LEU . . . . . . . . . . . . . 24.5 mt 66.17 15.32 10.04 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 124.33 1.052 . . . . 52.12 112.924 -178.409 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2177 ' ' GLU . . . . . 0.484 ' OE1' ' OG ' ' B' 2178 ' ' SER . 1.6 tm-20 -76.91 111.79 12.82 Favored 'General case' 0 C--O 1.236 0.392 0 O-C-N 121.713 -0.617 . . . . 71.47 109.676 -177.186 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2178 ' ' SER . . . . . 0.484 ' OG ' ' OE1' ' B' 2177 ' ' GLU . 13.8 m 53.07 27.71 6.03 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.296 0.48 . . . . 57.35 112.296 177.098 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2179 ' ' TRP . . . . . . . . . . . . . 45.0 p-90 -61.52 -35.64 78.28 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 119.017 -1.073 . . . . 52.45 111.741 -173.025 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2180 ' ' SER . . . . . . . . . . . . . 30.6 t -94.65 -57.6 2.42 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 113.254 0.835 . . . . 47.2 113.254 -175.631 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2181 ' ' MET . . . . . . . . . . . . . 90.5 mmm -64.51 -33.36 75.7 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 118.855 -1.138 . . . . 58.76 110.937 179.234 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2182 ' ' GLY . . . . . 0.505 ' C ' HD12 ' B' 2183 ' ' ILE . . . -91.77 -28.72 13.27 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.353 -0.927 . . . . 59.42 115.217 -172.403 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2183 ' ' ILE . . . . . 0.505 HD12 ' C ' ' B' 2182 ' ' GLY . 1.7 mp -121.92 -58.64 2.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-N 118.103 0.952 . . . . 58.4 111.329 -175.266 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2184 ' ' VAL . . . . . . . . . . . . . 98.9 t -78.12 -40.11 25.69 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 C-N-CA 119.53 -0.868 . . . . 55.91 111.19 -163.304 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2185 ' ' ARG . . . . . 0.442 ' HB2' ' HD3' ' B' 2186 ' ' PRO . 68.1 mtt-85 -59.97 -50.58 85.74 Favored Pre-proline 0 C--O 1.247 0.932 0 C-N-CA 118.585 -1.246 . . . . 57.29 111.185 172.844 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2186 ' ' PRO . . . . . 0.442 ' HD3' ' HB2' ' B' 2185 ' ' ARG . 67.7 Cg_exo -53.48 -42.84 62.56 Favored 'Trans proline' 0 N--CA 1.478 0.587 0 CA-C-N 121.01 1.397 . . . . 53.9 112.938 172.797 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2187 ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.79 -39.0 90.17 Favored 'General case' 0 C--O 1.235 0.296 0 O-C-N 122.079 -0.388 . . . . 58.88 111.21 177.959 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2188 ' ' MET . . . . . 0.465 ' HA ' ' O ' ' B' 2191 ' ' TYR . 71.8 mtm -71.86 -16.01 62.14 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 112.788 0.662 . . . . 65.76 112.788 -174.149 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2189 ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -69.0 -26.52 65.05 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 119.998 -0.681 . . . . 109.46 111.036 175.896 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2190 ' ' VAL . . . . . . . . . . . . . 74.3 t -99.73 -40.79 8.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 122.585 0.354 . . . . 62.12 111.491 172.129 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2191 ' ' TYR . . . . . 0.465 ' O ' ' HA ' ' B' 2188 ' ' MET . 69.9 m-85 -120.75 88.75 44.28 Favored Pre-proline 0 C--O 1.242 0.668 0 N-CA-C 108.26 -1.015 . . . . 66.77 108.26 -175.926 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2192 ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -62.7 -14.52 40.75 Favored 'Trans proline' 0 C--O 1.237 0.47 0 N-CA-C 114.045 0.748 . . . . 62.16 114.045 -173.583 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2193 ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -98.79 7.7 45.77 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 119.024 0.829 . . . . 83.3 112.859 177.326 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2194 ' ' ALA . . . . . . . . . . . . . . . -50.44 -31.91 16.39 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 120.339 -0.544 . . . . 62.43 111.58 176.887 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2195 ' ' TRP . . . . . 0.441 ' O ' HG12 ' B' 2199 ' ' ILE . 60.5 p-90 -61.7 -26.01 67.78 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.699 -0.4 . . . . 62.75 111.677 -179.735 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2196 ' ' VAL . . . . . . . . . . . . . 94.7 t -69.31 -16.88 21.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 O-C-N 122.201 -0.312 . . . . 67.64 111.184 178.627 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2197 ' ' PHE . . . . . . . . . . . . . 56.0 t80 -91.89 -52.6 4.65 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 124.811 1.244 . . . . 64.19 111.201 178.162 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2198 ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -81.98 -31.78 30.96 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 113.799 1.037 . . . . 64.42 113.799 -171.068 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2199 ' ' ILE . . . . . 0.717 ' HB ' ' HD3' ' B' 2200 ' ' PRO . 48.8 mm -61.97 -60.38 10.39 Favored Pre-proline 0 C--O 1.243 0.754 0 N-CA-C 108.087 -1.079 . . . . 73.06 108.087 179.509 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2200 ' ' PRO . . . . . 0.717 ' HD3' ' HB ' ' B' 2199 ' ' ILE . 51.0 Cg_exo -53.09 -41.27 73.07 Favored 'Trans proline' 0 C--O 1.237 0.45 0 CA-C-N 118.871 0.632 . . . . 63.55 112.289 177.928 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2201 ' ' PHE . . . . . . . . . . . . . 81.5 t80 -53.76 -44.72 70.23 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.08 -0.648 . . . . 57.99 111.429 173.709 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2202 ' ' ILE . . . . . . . . . . . . . 69.7 mt -67.03 -37.55 79.57 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 C-N-CA 120.606 -0.438 . . . . 60.71 110.595 -179.73 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2203 ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -62.91 -51.02 68.57 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.039 -0.664 . . . . 81.65 110.289 -179.192 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2204 ' ' VAL . . . . . . . . . . . . . 69.3 t -58.4 -51.06 76.01 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-O 121.829 0.823 . . . . 64.67 110.406 -178.407 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2205 ' ' VAL . . . . . 0.815 ' HA ' ' HE1' ' B' 2137 ' ' MET . 0.9 OUTLIER -66.72 -34.36 69.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 O-C-N 121.919 -0.488 . . . . 66.85 110.808 -170.718 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B 2206 ' ' VAL . . . . . . . . . . . . . 46.6 t -79.76 -39.8 20.4 Favored 'Isoleucine or valine' 0 C--O 1.238 0.474 0 C-N-CA 119.87 -0.732 . . . . 63.32 110.388 179.275 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2207 ' ' PHE . . . . . . . . . . . . . 47.1 t80 -59.83 -41.28 91.0 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 121.861 -0.525 . . . . 69.28 110.965 176.802 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2208 ' ' VAL . . . . . . . . . . . . . 38.9 t -68.26 -41.79 84.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 C-N-CA 120.011 -0.676 . . . . 70.45 110.987 -178.033 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2209 ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -62.61 -48.54 78.94 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 119.065 -1.054 . . . . 114.96 111.059 179.766 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2210 ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.79 -46.78 95.78 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 C-N-CA 120.433 -0.507 . . . . 64.83 110.162 -177.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2211 ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -66.69 -25.92 66.78 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.393 -0.523 . . . . 81.59 111.798 -178.014 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2212 ' ' LEU . . . . . . . . . . . . . 11.6 tp -66.57 -43.36 85.18 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.199 -0.6 . . . . 86.33 110.942 173.619 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2213 ' ' VAL . . . . . . . . . . . . . 85.6 t -64.38 -42.91 96.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-O 120.908 0.385 . . . . 65.34 110.448 176.811 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2214 ' ' VAL . . . . . . . . . . . . . 38.5 t -61.26 -38.7 80.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 121.146 0.498 . . . . 67.32 110.105 -179.595 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2215 ' ' ALA . . . . . . . . . . . . . . . -73.14 -35.68 66.54 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 120.633 -0.427 . . . . 72.07 111.073 -175.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2216 ' ' ILE . . . . . . . . . . . . . 95.2 mt -64.06 -47.34 90.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 C-N-CA 119.998 -0.681 . . . . 72.86 110.205 177.86 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2217 ' ' ILE . . . . . 1.069 HG22 ' HE2' ' B' 2221 ' ' MET . 77.4 mt -64.58 -50.66 74.8 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 C-N-CA 120.137 -0.625 . . . . 68.01 110.327 -178.561 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2218 ' ' VAL . . . . . 1.057 ' HA ' ' HE3' ' B' 2221 ' ' MET . 71.3 t -67.37 -38.82 81.51 Favored 'Isoleucine or valine' 0 C--O 1.239 0.514 0 O-C-N 121.973 -0.454 . . . . 82.28 110.992 -173.624 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2219 ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -71.41 -34.98 70.82 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 119.554 -0.858 . . . . 80.67 111.546 178.172 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2220 ' ' ALA . . . . . . . . . . . . . . . -56.34 -45.46 80.37 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 119.534 -0.866 . . . . 80.56 110.622 173.381 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2221 ' ' MET . . . . . 1.069 ' HE2' HG22 ' B' 2217 ' ' ILE . 29.4 mtm -73.54 -30.75 63.27 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.046 -0.662 . . . . 114.21 111.872 -177.03 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2222 ' ' ALA . . . . . . . . . . . . . . . -55.41 -46.02 76.65 Favored 'General case' 0 C--O 1.241 0.627 0 C-N-CA 119.736 -0.786 . . . . 85.15 110.797 171.774 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2223 ' ' ILE . . . . . . . . . . . . . 57.8 mt -67.48 -44.23 86.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 C-N-CA 119.843 -0.743 . . . . 94.43 110.437 177.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2224 ' ' LEU . . . . . . . . . . . . . 77.2 mt -52.06 -41.7 62.54 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 119.911 -0.716 . . . . 88.33 111.034 174.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2225 ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -69.94 -40.93 75.18 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 120.992 -0.283 . . . . 99.96 111.239 -179.329 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2226 ' ' GLN . . . . . . . . . . . . . . . -59.43 -39.9 85.03 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 120.21 -0.596 . . . . 100.43 110.88 177.454 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2227 ' ' LYS . . . . . . . . . . . . . . . -67.82 -46.2 72.55 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 120.951 -0.299 . . . . 105.54 111.486 -175.993 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2228 ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -74.37 -27.43 60.66 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 119.412 -0.915 . . . . 125.39 111.49 -178.862 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2229 ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -61.01 -48.35 82.24 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 120.891 0.376 . . . . 122.88 111.015 173.923 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2230 ' ' GLN . . . . . . . . . . . . . . . -60.72 -42.04 96.47 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 119.955 -0.698 . . . . 116.96 111.209 177.252 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2231 ' ' HIS . . . . . . . . . . . . . 54.9 m170 -62.16 -46.27 89.73 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.286 -0.565 . . . . 137.66 111.203 -179.835 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2232 ' ' ILE . . . . . . . . . . . . . 96.5 mt -65.14 -46.24 91.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-O 121.177 0.513 . . . . 133.36 110.378 179.786 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2233 ' ' ILE . . . . . . . . . . . . . 21.7 mt -62.39 -42.9 97.32 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 O-C-N 121.924 -0.485 . . . . 135.76 110.724 -177.993 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2234 ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -56.06 -44.3 78.74 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 121.831 -0.543 . . . . 154.63 111.078 177.41 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2235 ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -59.21 -50.22 74.86 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 120.507 -0.477 . . . . 156.98 110.899 175.753 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2236 ' ' VAL . . . . . . . . . . . . . . . -54.92 -47.49 75.93 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 CA-C-O 121.317 0.579 . . . . 150.43 110.17 175.347 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2237 ' ' GLN . . . . . . . . . . . . . . . -61.88 -34.02 75.27 Favored 'General case' 0 C--O 1.238 0.489 0 O-C-N 121.972 -0.455 . . . . 151.7 111.301 178.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2238 ' ' SER . . . . . . . . . . . . . . . -84.28 -35.65 23.2 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 112.021 0.378 . . . . 165.34 112.021 -176.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2239 ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 O-C-N 121.917 -0.489 . . . . 176.14 110.977 178.713 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2301 ' ' PX4 . . . . . 0.489 ' H6 ' ' O3 ' ' B' 2301 ' ' PX4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2302 ' ' PX4 . . . . . 0.446 ' H63' ' H38' ' B' 2302 ' ' PX4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2303 ' ' PX4 . . . . . 0.523 ' H26' ' H56' ' B' 2303 ' ' PX4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2304 ' ' PX4 . . . . . 0.488 ' H18' ' CZ2' ' B' 2076 ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2305 ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2306 ' ' CPS . . . . . 0.679 ' C21' H10A ' B' 2306 ' ' CPS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2307 ' ' CPS . . . . . 0.697 H10B ' C22' ' B' 2307 ' ' CPS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2401 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 stop_ save_