data_1cos_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1cos _Structure_validation_residue.Date_analyzed 2016-10-12 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 ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.317 . . . . . . . . 25.68 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' GLU . . . . . 0.597 ' N ' ' OE2' ' A' ' 1' ' ' GLU . 1.5 mp0 -62.94 -34.95 78.56 Favored 'General case' 0 C--N 1.365 1.267 0 N-CA-C 116.202 1.927 . . . . 48.92 116.202 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -72.02 -30.55 65.32 Favored 'General case' 0 CA--C 1.501 -0.932 0 N-CA-C 113.98 1.104 . . . . 31.39 113.98 177.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.3 -34.46 63.51 Favored 'General case' 0 CA--C 1.473 -2.009 0 N-CA-C 107.988 -1.116 . . . . 59.31 107.988 171.051 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.78 -40.68 97.25 Favored 'General case' 0 C--N 1.303 -1.425 0 C-N-CA 114.505 -2.878 . . . . 29.15 109.078 -176.501 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 tp -57.64 -42.33 83.22 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 122.121 0.962 . . . . 36.43 112.387 178.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -58.5 -35.43 72.22 Favored 'General case' 0 CA--C 1.503 -0.86 0 CA-C-N 114.172 -1.376 . . . . 60.79 112.968 175.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.5 mttp -82.68 -34.68 27.31 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 124.59 2.138 . . . . 54.69 110.39 -178.393 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.1 tttm -62.81 -35.77 80.98 Favored 'General case' 0 N--CA 1.414 -2.232 0 C-N-CA 116.36 -2.136 . . . . 45.22 108.377 176.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 35.6 mt -63.85 -44.95 91.62 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 115.851 1.797 . . . . 34.51 115.851 176.737 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.79 -41.39 99.25 Favored 'General case' 0 CA--C 1.479 -1.764 0 O-C-N 119.245 -2.159 . . . . 33.48 109.567 179.67 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.4 -33.18 75.14 Favored 'General case' 0 CA--C 1.578 2.039 0 N-CA-C 114.782 1.401 . . . . 25.68 114.782 177.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.2 mt -77.58 -36.79 51.61 Favored 'General case' 0 C--O 1.2 -1.517 0 O-C-N 117.947 -2.971 . . . . 32.64 111.356 175.169 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -53.78 -52.82 59.02 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-O 125.417 2.532 . . . . 57.23 112.966 167.942 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.3 t -58.49 -39.49 80.14 Favored 'General case' 0 CA--C 1.476 -1.88 0 CA-C-N 112.593 -2.094 . . . . 33.33 110.746 -178.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . 0.419 2.8 ttpm? -74.06 -37.99 64.08 Favored 'General case' 0 C--O 1.244 0.787 0 O-C-N 125.778 1.923 . . . . 63.41 114.425 -177.304 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 tt -55.96 -40.71 73.62 Favored 'General case' 0 N--CA 1.436 -1.145 0 CA-C-O 122.983 1.373 . . . . 33.18 109.845 171.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -74.07 -29.1 61.71 Favored 'General case' 0 N--CA 1.425 -1.678 0 CA-C-O 122.349 1.071 . . . . 38.23 112.914 -178.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.88 -33.63 57.82 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 118.335 -1.346 . . . . 35.06 109.395 176.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 76.8 mt -60.57 -33.76 73.18 Favored 'General case' 0 C--N 1.313 -0.998 0 O-C-N 120.59 -1.319 . . . . 39.38 111.493 173.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -71.17 -40.6 71.17 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-O 122.619 1.199 . . . . 40.01 112.439 -174.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.61 -17.81 62.25 Favored 'General case' 0 CA--C 1.577 2.019 0 C-N-CA 119.569 -0.853 . . . . 61.0 110.017 175.556 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.9 tttp -75.29 -51.57 12.93 Favored 'General case' 0 CA--C 1.564 1.485 0 C-N-CA 126.294 1.837 . . . . 42.71 112.451 173.07 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.0 tp -52.28 -55.73 19.45 Favored 'General case' 0 CA--C 1.494 -1.197 0 C-N-CA 125.972 1.709 . . . . 28.68 107.536 173.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -47.67 -29.82 3.29 Favored 'General case' 0 C--O 1.26 1.612 0 N-CA-C 116.708 2.114 . . . . 45.48 116.708 173.4 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.31 -34.79 59.03 Favored 'General case' 0 CA--C 1.485 -1.546 0 O-C-N 120.991 -1.068 . . . . 43.19 108.472 -179.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.09 -39.85 63.13 Favored 'General case' 0 CA--C 1.49 -1.333 0 CA-C-N 112.429 -2.169 . . . . 43.47 111.381 -175.075 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLU . . . . . 0.618 ' O ' ' N ' ' A' ' 29' ' ' GLY . 79.4 mt-10 -74.99 -53.41 8.98 Favored 'General case' 0 N--CA 1.427 -1.598 0 CA-C-O 123.04 1.4 . . . . 47.14 108.533 -178.071 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . 0.254 0.4 OUTLIER -64.96 62.21 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.427 0 CA-C-O 126.05 2.833 . . . . 87.0 111.091 -174.367 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLY . . . . . 0.618 ' N ' ' O ' ' A' ' 27' ' ' GLU . . . 91.62 66.9 1.14 Allowed Glycine 0 C--O 1.266 2.104 0 N-CA-C 105.499 -3.041 . . . . 74.81 105.499 -177.091 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.046 1 O-C-N 130.254 4.149 . . . . 66.15 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.604 . . . . . . . . 47.02 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -65.41 -37.53 87.22 Favored 'General case' 0 N--CA 1.437 -1.12 0 C-N-CA 124.455 1.102 . . . . 66.52 113.51 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' TRP . . . . . . . . . . . . . 84.3 t90 -65.85 -42.59 90.26 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-O 125.305 2.479 . . . . 46.54 111.108 176.449 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.22 -46.33 90.14 Favored 'General case' 0 CA--C 1.502 -0.875 0 CA-C-N 112.692 -2.049 . . . . 59.59 114.416 178.441 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.03 -50.87 65.7 Favored 'General case' 0 C--O 1.205 -1.245 0 O-C-N 124.364 1.04 . . . . 35.74 110.944 171.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 34.9 mt -62.19 -33.44 74.54 Favored 'General case' 0 CA--C 1.509 -0.614 0 O-C-N 120.813 -1.18 . . . . 44.77 109.297 179.005 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 32.2 tp10 -67.39 -47.39 70.46 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 122.251 1.024 . . . . 55.03 113.23 -176.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' LYS . . . . . 0.433 ' NZ ' ' O ' ' B' ' 306' ' ' HOH . 27.8 mttp -55.99 -50.92 69.5 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 114.062 -1.426 . . . . 68.79 111.207 174.14 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.9 -52.97 58.82 Favored 'General case' 0 C--N 1.351 0.636 0 C-N-CA 127.105 2.162 . . . . 66.53 110.798 -178.234 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 12.5 mt -55.89 -46.13 78.44 Favored 'General case' 0 C--O 1.209 -1.056 0 N-CA-C 113.626 0.973 . . . . 32.34 113.626 173.569 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.04 -37.14 81.56 Favored 'General case' 0 C--N 1.308 -1.238 0 O-C-N 121.086 -1.009 . . . . 38.54 112.754 176.261 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.19 -29.94 64.48 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.617 -1.302 . . . . 44.66 112.851 178.437 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 25.2 mt -66.85 -36.34 82.12 Favored 'General case' 0 CA--C 1.495 -1.157 0 O-C-N 124.971 1.419 . . . . 32.9 111.661 173.101 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -63.5 -52.22 62.21 Favored 'General case' 0 C--N 1.36 1.042 0 O-C-N 126.333 2.27 . . . . 52.27 112.138 178.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 67.2 m -53.13 -41.82 65.45 Favored 'General case' 0 C--O 1.205 -1.283 0 N-CA-C 112.905 0.705 . . . . 39.55 112.905 174.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 35.5 mttp -62.72 -53.84 48.25 Favored 'General case' 0 C--O 1.216 -0.687 0 N-CA-C 115.642 1.719 . . . . 48.41 115.642 175.185 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.16 -44.22 61.41 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 114.498 1.295 . . . . 48.21 114.498 172.987 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' GLN . . . . . 0.417 ' NE2' ' O ' ' B' ' 310' ' ' HOH . 27.1 mt-30 -60.88 -37.5 82.36 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-O 122.416 1.103 . . . . 45.05 112.952 -179.808 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.82 -40.7 95.62 Favored 'General case' 0 CA--C 1.487 -1.47 0 CA-C-N 114.409 -1.268 . . . . 31.7 109.128 174.291 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.25 -38.83 75.25 Favored 'General case' 0 C--O 1.192 -1.922 0 CA-C-O 124.029 1.871 . . . . 36.84 108.356 178.354 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -72.47 -21.79 61.17 Favored 'General case' 0 C--N 1.281 -2.383 0 O-C-N 116.873 -3.642 . . . . 31.72 112.649 -179.245 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 9.4 mtmm -70.91 -43.03 69.13 Favored 'General case' 0 C--O 1.271 2.196 0 O-C-N 120.954 -1.091 . . . . 34.93 113.841 174.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -53.46 -57.18 11.56 Favored 'General case' 0 C--O 1.206 -1.216 0 CA-C-N 112.753 -2.021 . . . . 48.0 110.333 172.084 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 90.6 mt -57.55 -45.55 84.97 Favored 'General case' 0 C--N 1.308 -1.226 0 O-C-N 120.09 -1.631 . . . . 33.51 114.6 176.75 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' B' ' 28' ' ' HIS . 19.7 mm-40 -62.36 -43.18 99.42 Favored 'General case' 0 CA--C 1.486 -1.509 0 CA-C-N 119.919 1.236 . . . . 47.65 109.615 -179.43 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.95 -56.7 12.59 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 126.943 2.652 . . . . 43.35 116.357 172.556 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 4.9 mt -64.33 -45.49 87.67 Favored 'General case' 0 C--O 1.21 -0.99 0 O-C-N 119.829 -1.794 . . . . 44.51 108.439 175.526 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -64.94 -29.15 70.07 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 114.845 1.424 . . . . 77.0 114.845 -178.351 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' HIS . . . . . 0.489 ' N ' ' O ' ' B' ' 24' ' ' GLU . 7.0 m80 -129.36 -11.12 4.6 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 120.356 3.465 . . . . 82.74 120.356 -172.163 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 159.84 41.61 0.02 OUTLIER Glycine 0 CA--C 1.502 -0.752 0 CA-C-O 113.576 -3.902 . . . . 65.26 116.637 178.119 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.194 0 CA-C-N 120.657 2.228 . . . . 55.78 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.207 . . . . . . . . 40.62 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . 0.282 0.7 OUTLIER -72.94 -54.76 7.82 Favored 'General case' 0 C--N 1.363 1.193 0 C-N-CA 128.528 2.731 . . . . 37.57 110.647 . . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' TRP . . . . . . . . . . . . . 38.5 m0 -56.9 -41.72 78.6 Favored 'General case' 0 C--O 1.262 1.756 0 C-N-CA 116.638 -2.025 . . . . 57.54 111.978 -179.647 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 53.0 mp0 -61.77 -38.59 88.6 Favored 'General case' 0 CA--C 1.493 -1.235 0 CA-C-N 114.713 -1.13 . . . . 33.33 111.935 -179.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.46 -38.55 91.41 Favored 'General case' 0 C--O 1.203 -1.355 0 C-N-CA 115.31 -2.556 . . . . 31.79 110.498 177.66 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 14.6 mt -68.84 -46.16 69.26 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 124.27 1.028 . . . . 41.64 110.731 -179.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' GLU . . . . . 0.453 ' OE2' ' OE2' ' A' ' 27' ' ' GLU . 89.8 mt-10 -60.44 -35.89 76.9 Favored 'General case' 0 C--O 1.205 -1.281 0 CA-C-O 123.243 1.497 . . . . 37.27 109.36 176.192 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.25 -49.67 60.71 Favored 'General case' 0 C--O 1.2 -1.504 0 O-C-N 120.49 -1.381 . . . . 53.17 111.614 179.391 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -47.61 74.81 Favored 'General case' 0 C--O 1.255 1.372 0 C-N-CA 127.091 2.157 . . . . 56.04 113.515 -176.489 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.68 -48.83 69.12 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-O 117.236 -1.364 . . . . 42.8 108.631 174.023 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.83 -36.15 82.68 Favored 'General case' 0 C--N 1.386 2.194 0 O-C-N 124.666 1.229 . . . . 32.92 113.762 -177.404 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.35 -35.58 73.66 Favored 'General case' 0 C--N 1.31 -1.144 0 O-C-N 120.397 -1.44 . . . . 45.54 114.312 174.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 19.4 mt -67.22 -48.62 67.3 Favored 'General case' 0 C--N 1.363 1.167 0 CA-C-O 123.498 1.618 . . . . 31.6 110.488 174.166 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -51.35 -29.38 15.1 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 113.285 -1.779 . . . . 37.79 113.276 176.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' SER . . . . . . . . . . . . . 17.4 m -75.35 -35.4 61.16 Favored 'General case' 0 CA--C 1.475 -1.912 0 CA-C-O 123.082 1.42 . . . . 44.99 110.04 -178.538 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 27.9 mttm -72.4 -39.38 67.99 Favored 'General case' 0 N--CA 1.422 -1.828 0 CA-C-N 111.224 -2.716 . . . . 50.4 114.187 -177.45 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 8.1 mt -64.44 -24.75 67.73 Favored 'General case' 0 C--O 1.209 -1.055 0 O-C-N 125.684 1.865 . . . . 43.12 111.625 173.075 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -74.7 -47.55 30.89 Favored 'General case' 0 C--N 1.346 0.45 0 C-N-CA 128.571 2.749 . . . . 77.26 107.837 179.181 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.91 -69.31 0.11 Allowed 'General case' 0 C--O 1.212 -0.905 0 C-N-CA 126.883 2.073 . . . . 49.52 112.322 176.011 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 6.7 mt -47.17 -44.93 22.47 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 126.526 1.93 . . . . 45.1 113.781 173.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -65.43 -29.86 70.59 Favored 'General case' 0 C--N 1.342 0.25 0 CA-C-O 122.677 1.227 . . . . 60.92 112.614 176.809 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.01 -42.62 84.63 Favored 'General case' 0 N--CA 1.424 -1.772 0 C-N-CA 119.082 -1.047 . . . . 89.92 108.507 175.354 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . 0.307 0.1 OUTLIER -63.49 -46.19 87.29 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 116.731 2.123 . . . . 59.97 116.731 175.746 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 31.5 mt -59.75 -66.96 0.43 Allowed 'General case' 0 CA--C 1.506 -0.737 0 O-C-N 120.407 -1.433 . . . . 40.8 112.228 -176.498 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 24' ' ' GLU . . . . . 0.529 ' OE2' ' NE2' ' C' ' 28' ' ' HIS 0.467 7.6 tt0 -54.0 -7.31 0.12 Allowed 'General case' 0 CA--C 1.555 1.162 0 CA-C-N 114.919 -1.037 . . . . 78.68 113.392 -178.716 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' C' C ' 25' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' C' ' 30' ' ' NH2 . . . -86.87 -35.45 19.0 Favored 'General case' 0 CA--C 1.558 1.284 0 CA-C-O 123.418 1.58 . . . . 61.46 111.141 170.092 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 35.6 mt -68.34 -66.41 0.57 Allowed 'General case' 0 N--CA 1.415 -2.191 0 N-CA-C 106.512 -1.662 . . . . 52.62 106.512 173.779 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -59.73 127.02 29.89 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 106.731 -1.581 . . . . 81.2 106.731 179.053 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 28' ' ' HIS . . . . . 0.529 ' NE2' ' OE2' ' C' ' 24' ' ' GLU 0.34 7.9 p80 53.07 62.8 2.5 Favored 'General case' 0 C--O 1.255 1.343 0 CA-C-O 122.629 1.204 . . . . 89.32 110.103 -175.016 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 155.01 -129.48 2.56 Favored Glycine 0 C--O 1.263 1.928 0 CA-C-N 108.931 -3.759 . . . . 75.37 107.237 -177.873 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 30' ' ' NH2 . . . . . 0.457 ' N ' ' O ' ' C' ' 25' ' ' ALA . . . . . . . . 0 C--N 1.332 -0.191 0 O-C-N 127.241 2.377 . . . . 59.61 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 306' ' ' HOH . . . . . 0.433 ' O ' ' NZ ' ' B' ' 7' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 310' ' ' HOH . . . . . 0.417 ' O ' ' NE2' ' B' ' 17' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.317 . . . . . . . . 25.68 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLU . . . . . 0.45 ' H ' ' CD ' ' A' ' 1' ' ' GLU . 1.5 mp0 -62.94 -34.95 78.56 Favored 'General case' 0 C--N 1.365 1.267 0 N-CA-C 116.202 1.927 . . . . 48.92 116.202 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -72.02 -30.55 65.32 Favored 'General case' 0 CA--C 1.501 -0.932 0 N-CA-C 113.98 1.104 . . . . 31.39 113.98 177.573 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.3 -34.46 63.51 Favored 'General case' 0 CA--C 1.473 -2.009 0 N-CA-C 107.988 -1.116 . . . . 59.31 107.988 171.051 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.78 -40.68 97.25 Favored 'General case' 0 C--N 1.303 -1.425 0 C-N-CA 114.505 -2.878 . . . . 29.15 109.078 -176.501 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LEU . . . . . 0.465 HD23 HD21 ' C' ' 23' ' ' LEU . 1.5 tp -57.64 -42.33 83.22 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 122.121 0.962 . . . . 36.43 112.387 178.624 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -58.5 -35.43 72.22 Favored 'General case' 0 CA--C 1.503 -0.86 0 CA-C-N 114.172 -1.376 . . . . 60.79 112.968 175.474 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.5 mttp -82.68 -34.68 27.31 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 124.59 2.138 . . . . 54.69 110.39 -178.393 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . 0.754 ' HD3' HD13 ' B' ' 9' ' ' LEU . 12.1 tttm -62.81 -35.77 80.98 Favored 'General case' 0 N--CA 1.414 -2.232 0 C-N-CA 116.36 -2.136 . . . . 45.22 108.377 176.483 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LEU . . . . . 0.83 HD12 HD12 ' C' ' 23' ' ' LEU . 35.6 mt -63.85 -44.95 91.62 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 115.851 1.797 . . . . 34.51 115.851 176.737 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.79 -41.39 99.25 Favored 'General case' 0 CA--C 1.479 -1.764 0 O-C-N 119.245 -2.159 . . . . 33.48 109.567 179.67 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.4 -33.18 75.14 Favored 'General case' 0 CA--C 1.578 2.039 0 N-CA-C 114.782 1.401 . . . . 25.68 114.782 177.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.2 mt -77.58 -36.79 51.61 Favored 'General case' 0 C--O 1.2 -1.517 0 O-C-N 117.947 -2.971 . . . . 32.64 111.356 175.169 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -53.78 -52.82 59.02 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-O 125.417 2.532 . . . . 57.23 112.966 167.942 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.3 t -58.49 -39.49 80.14 Favored 'General case' 0 CA--C 1.476 -1.88 0 CA-C-N 112.593 -2.094 . . . . 33.33 110.746 -178.285 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . 0.419 2.8 ttpm? -74.06 -37.99 64.08 Favored 'General case' 0 C--O 1.244 0.787 0 O-C-N 125.778 1.923 . . . . 63.41 114.425 -177.304 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . 0.947 HD12 HD12 ' C' ' 16' ' ' LEU . 1.3 tt -55.96 -40.71 73.62 Favored 'General case' 0 N--CA 1.436 -1.145 0 CA-C-O 122.983 1.373 . . . . 33.18 109.845 171.994 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -74.07 -29.1 61.71 Favored 'General case' 0 N--CA 1.425 -1.678 0 CA-C-O 122.349 1.071 . . . . 38.23 112.914 -178.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.88 -33.63 57.82 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 118.335 -1.346 . . . . 35.06 109.395 176.229 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . 0.443 HD22 HD12 ' B' ' 23' ' ' LEU . 76.8 mt -60.57 -33.76 73.18 Favored 'General case' 0 C--N 1.313 -0.998 0 O-C-N 120.59 -1.319 . . . . 39.38 111.493 173.948 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -71.17 -40.6 71.17 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-O 122.619 1.199 . . . . 40.01 112.439 -174.98 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.61 -17.81 62.25 Favored 'General case' 0 CA--C 1.577 2.019 0 C-N-CA 119.569 -0.853 . . . . 61.0 110.017 175.556 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 19' ' ' LEU . 13.9 tttp -75.29 -51.57 12.93 Favored 'General case' 0 CA--C 1.564 1.485 0 C-N-CA 126.294 1.837 . . . . 42.71 112.451 173.07 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LEU . . . . . 0.499 ' O ' ' HB2' ' A' ' 26' ' ' LEU . 15.0 tp -52.28 -55.73 19.45 Favored 'General case' 0 CA--C 1.494 -1.197 0 C-N-CA 125.972 1.709 . . . . 28.68 107.536 173.497 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLU . . . . . 0.596 ' O ' ' HB3' ' A' ' 28' ' ' HIS . 5.0 mt-10 -47.67 -29.82 3.29 Favored 'General case' 0 C--O 1.26 1.612 0 N-CA-C 116.708 2.114 . . . . 45.48 116.708 173.4 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.31 -34.79 59.03 Favored 'General case' 0 CA--C 1.485 -1.546 0 O-C-N 120.991 -1.068 . . . . 43.19 108.472 -179.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . 0.986 HD11 ' HG2' ' B' ' 27' ' ' GLU . 0.2 OUTLIER -74.09 -39.85 63.13 Favored 'General case' 0 CA--C 1.49 -1.333 0 CA-C-N 112.429 -2.169 . . . . 43.47 111.381 -175.075 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLU . . . . . 0.608 ' O ' ' N ' ' A' ' 29' ' ' GLY . 79.4 mt-10 -74.99 -53.41 8.98 Favored 'General case' 0 N--CA 1.427 -1.598 0 CA-C-O 123.04 1.4 . . . . 47.14 108.533 -178.071 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' HIS . . . . . 0.596 ' HB3' ' O ' ' A' ' 24' ' ' GLU 0.254 0.4 OUTLIER -64.96 62.21 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.427 0 CA-C-O 126.05 2.833 . . . . 87.0 111.091 -174.367 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLY . . . . . 0.608 ' N ' ' O ' ' A' ' 27' ' ' GLU . . . 91.62 66.9 1.14 Allowed Glycine 0 C--O 1.266 2.104 0 N-CA-C 105.499 -3.041 . . . . 74.81 105.499 -177.091 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.046 1 O-C-N 130.254 4.149 . . . . 66.15 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.604 . . . . . . . . 47.02 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -65.41 -37.53 87.22 Favored 'General case' 0 N--CA 1.437 -1.12 0 C-N-CA 124.455 1.102 . . . . 66.52 113.51 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 2' ' ' TRP . . . . . . . . . . . . . 84.3 t90 -65.85 -42.59 90.26 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-O 125.305 2.479 . . . . 46.54 111.108 176.449 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.22 -46.33 90.14 Favored 'General case' 0 CA--C 1.502 -0.875 0 CA-C-N 112.692 -2.049 . . . . 59.59 114.416 178.441 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 4' ' ' ALA . . . . . 0.742 ' O ' ' HD3' ' B' ' 8' ' ' LYS . . . -54.03 -50.87 65.7 Favored 'General case' 0 C--O 1.205 -1.245 0 O-C-N 124.364 1.04 . . . . 35.74 110.944 171.719 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 34.9 mt -62.19 -33.44 74.54 Favored 'General case' 0 CA--C 1.509 -0.614 0 O-C-N 120.813 -1.18 . . . . 44.77 109.297 179.005 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 32.2 tp10 -67.39 -47.39 70.46 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 122.251 1.024 . . . . 55.03 113.23 -176.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' LYS . . . . . 0.433 ' NZ ' ' O ' ' B' ' 306' ' ' HOH . 27.8 mttp -55.99 -50.92 69.5 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 114.062 -1.426 . . . . 68.79 111.207 174.14 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 8' ' ' LYS . . . . . 0.742 ' HD3' ' O ' ' B' ' 4' ' ' ALA . 0.0 OUTLIER -53.9 -52.97 58.82 Favored 'General case' 0 C--N 1.351 0.636 0 C-N-CA 127.105 2.162 . . . . 66.53 110.798 -178.234 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 9' ' ' LEU . . . . . 0.754 HD13 ' HD3' ' A' ' 8' ' ' LYS . 12.5 mt -55.89 -46.13 78.44 Favored 'General case' 0 C--O 1.209 -1.056 0 N-CA-C 113.626 0.973 . . . . 32.34 113.626 173.569 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.04 -37.14 81.56 Favored 'General case' 0 C--N 1.308 -1.238 0 O-C-N 121.086 -1.009 . . . . 38.54 112.754 176.261 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ALA . . . . . 0.448 ' O ' ' HG3' ' B' ' 15' ' ' LYS . . . -72.19 -29.94 64.48 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.617 -1.302 . . . . 44.66 112.851 178.437 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 25.2 mt -66.85 -36.34 82.12 Favored 'General case' 0 CA--C 1.495 -1.157 0 O-C-N 124.971 1.419 . . . . 32.9 111.661 173.101 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' GLU . . . . . 0.496 ' CD ' ' HZ1' ' A' ' 8' ' ' LYS . 13.0 tt0 -63.5 -52.22 62.21 Favored 'General case' 0 C--N 1.36 1.042 0 O-C-N 126.333 2.27 . . . . 52.27 112.138 178.585 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 67.2 m -53.13 -41.82 65.45 Favored 'General case' 0 C--O 1.205 -1.283 0 N-CA-C 112.905 0.705 . . . . 39.55 112.905 174.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' B' ' 11' ' ' ALA . 35.5 mttp -62.72 -53.84 48.25 Favored 'General case' 0 C--O 1.216 -0.687 0 N-CA-C 115.642 1.719 . . . . 48.41 115.642 175.185 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.16 -44.22 61.41 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 114.498 1.295 . . . . 48.21 114.498 172.987 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -60.88 -37.5 82.36 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-O 122.416 1.103 . . . . 45.05 112.952 -179.808 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.82 -40.7 95.62 Favored 'General case' 0 CA--C 1.487 -1.47 0 CA-C-N 114.409 -1.268 . . . . 31.7 109.128 174.291 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.25 -38.83 75.25 Favored 'General case' 0 C--O 1.192 -1.922 0 CA-C-O 124.029 1.871 . . . . 36.84 108.356 178.354 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -72.47 -21.79 61.17 Favored 'General case' 0 C--N 1.281 -2.383 0 O-C-N 116.873 -3.642 . . . . 31.72 112.649 -179.245 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 9.4 mtmm -70.91 -43.03 69.13 Favored 'General case' 0 C--O 1.271 2.196 0 O-C-N 120.954 -1.091 . . . . 34.93 113.841 174.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -53.46 -57.18 11.56 Favored 'General case' 0 C--O 1.206 -1.216 0 CA-C-N 112.753 -2.021 . . . . 48.0 110.333 172.084 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' LEU . . . . . 0.675 ' O ' ' HB2' ' B' ' 27' ' ' GLU . 90.6 mt -57.55 -45.55 84.97 Favored 'General case' 0 C--N 1.308 -1.226 0 O-C-N 120.09 -1.631 . . . . 33.51 114.6 176.75 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 24' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' B' ' 28' ' ' HIS . 19.7 mm-40 -62.36 -43.18 99.42 Favored 'General case' 0 CA--C 1.486 -1.509 0 CA-C-N 119.919 1.236 . . . . 47.65 109.615 -179.43 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.95 -56.7 12.59 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 126.943 2.652 . . . . 43.35 116.357 172.556 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 4.9 mt -64.33 -45.49 87.67 Favored 'General case' 0 C--O 1.21 -0.99 0 O-C-N 119.829 -1.794 . . . . 44.51 108.439 175.526 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' GLU . . . . . 0.986 ' HG2' HD11 ' A' ' 26' ' ' LEU . 1.7 tm-20 -64.94 -29.15 70.07 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 114.845 1.424 . . . . 77.0 114.845 -178.351 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 28' ' ' HIS . . . . . 0.489 ' N ' ' O ' ' B' ' 24' ' ' GLU . 7.0 m80 -129.36 -11.12 4.6 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 120.356 3.465 . . . . 82.74 120.356 -172.163 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 159.84 41.61 0.02 OUTLIER Glycine 0 CA--C 1.502 -0.752 0 CA-C-O 113.576 -3.902 . . . . 65.26 116.637 178.119 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.194 0 CA-C-N 120.657 2.228 . . . . 55.78 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.207 . . . . . . . . 40.62 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . 0.282 0.7 OUTLIER -72.94 -54.76 7.82 Favored 'General case' 0 C--N 1.363 1.193 0 C-N-CA 128.528 2.731 . . . . 37.57 110.647 . . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 2' ' ' TRP . . . . . . . . . . . . . 38.5 m0 -56.9 -41.72 78.6 Favored 'General case' 0 C--O 1.262 1.756 0 C-N-CA 116.638 -2.025 . . . . 57.54 111.978 -179.647 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 53.0 mp0 -61.77 -38.59 88.6 Favored 'General case' 0 CA--C 1.493 -1.235 0 CA-C-N 114.713 -1.13 . . . . 33.33 111.935 -179.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.46 -38.55 91.41 Favored 'General case' 0 C--O 1.203 -1.355 0 C-N-CA 115.31 -2.556 . . . . 31.79 110.498 177.66 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 14.6 mt -68.84 -46.16 69.26 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 124.27 1.028 . . . . 41.64 110.731 -179.256 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 6' ' ' GLU . . . . . 0.453 ' OE2' ' OE2' ' A' ' 27' ' ' GLU . 89.8 mt-10 -60.44 -35.89 76.9 Favored 'General case' 0 C--O 1.205 -1.281 0 CA-C-O 123.243 1.497 . . . . 37.27 109.36 176.192 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.25 -49.67 60.71 Favored 'General case' 0 C--O 1.2 -1.504 0 O-C-N 120.49 -1.381 . . . . 53.17 111.614 179.391 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -47.61 74.81 Favored 'General case' 0 C--O 1.255 1.372 0 C-N-CA 127.091 2.157 . . . . 56.04 113.515 -176.489 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.68 -48.83 69.12 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-O 117.236 -1.364 . . . . 42.8 108.631 174.023 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.83 -36.15 82.68 Favored 'General case' 0 C--N 1.386 2.194 0 O-C-N 124.666 1.229 . . . . 32.92 113.762 -177.404 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.35 -35.58 73.66 Favored 'General case' 0 C--N 1.31 -1.144 0 O-C-N 120.397 -1.44 . . . . 45.54 114.312 174.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 19.4 mt -67.22 -48.62 67.3 Favored 'General case' 0 C--N 1.363 1.167 0 CA-C-O 123.498 1.618 . . . . 31.6 110.488 174.166 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -51.35 -29.38 15.1 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 113.285 -1.779 . . . . 37.79 113.276 176.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 14' ' ' SER . . . . . . . . . . . . . 17.4 m -75.35 -35.4 61.16 Favored 'General case' 0 CA--C 1.475 -1.912 0 CA-C-O 123.082 1.42 . . . . 44.99 110.04 -178.538 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 15' ' ' LYS . . . . . 0.468 ' O ' ' HB3' ' C' ' 18' ' ' ALA . 27.9 mttm -72.4 -39.38 67.99 Favored 'General case' 0 N--CA 1.422 -1.828 0 CA-C-N 111.224 -2.716 . . . . 50.4 114.187 -177.45 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 16' ' ' LEU . . . . . 0.947 HD12 HD12 ' A' ' 16' ' ' LEU . 8.1 mt -64.44 -24.75 67.73 Favored 'General case' 0 C--O 1.209 -1.055 0 O-C-N 125.684 1.865 . . . . 43.12 111.625 173.075 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -74.7 -47.55 30.89 Favored 'General case' 0 C--N 1.346 0.45 0 C-N-CA 128.571 2.749 . . . . 77.26 107.837 179.181 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 18' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' C' ' 15' ' ' LYS . . . -50.91 -69.31 0.11 Allowed 'General case' 0 C--O 1.212 -0.905 0 C-N-CA 126.883 2.073 . . . . 49.52 112.322 176.011 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 6.7 mt -47.17 -44.93 22.47 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 126.526 1.93 . . . . 45.1 113.781 173.505 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -65.43 -29.86 70.59 Favored 'General case' 0 C--N 1.342 0.25 0 CA-C-O 122.677 1.227 . . . . 60.92 112.614 176.809 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 21' ' ' LYS . . . . . 0.413 ' HA ' ' HE3' ' C' ' 21' ' ' LYS . 0.0 OUTLIER -67.01 -42.62 84.63 Favored 'General case' 0 N--CA 1.424 -1.772 0 C-N-CA 119.082 -1.047 . . . . 89.92 108.507 175.354 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . 0.307 0.1 OUTLIER -63.49 -46.19 87.29 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 116.731 2.123 . . . . 59.97 116.731 175.746 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 23' ' ' LEU . . . . . 0.83 HD12 HD12 ' A' ' 9' ' ' LEU . 31.5 mt -59.75 -66.96 0.43 Allowed 'General case' 0 CA--C 1.506 -0.737 0 O-C-N 120.407 -1.433 . . . . 40.8 112.228 -176.498 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 24' ' ' GLU . . . . . 0.524 ' OE2' ' NE2' ' C' ' 28' ' ' HIS 0.467 7.6 tt0 -54.0 -7.31 0.12 Allowed 'General case' 0 CA--C 1.555 1.162 0 CA-C-N 114.919 -1.037 . . . . 78.68 113.392 -178.716 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 25' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' C' ' 30' ' ' NH2 . . . -86.87 -35.45 19.0 Favored 'General case' 0 CA--C 1.558 1.284 0 CA-C-O 123.418 1.58 . . . . 61.46 111.141 170.092 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 35.6 mt -68.34 -66.41 0.57 Allowed 'General case' 0 N--CA 1.415 -2.191 0 N-CA-C 106.512 -1.662 . . . . 52.62 106.512 173.779 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -59.73 127.02 29.89 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 106.731 -1.581 . . . . 81.2 106.731 179.053 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 28' ' ' HIS . . . . . 0.728 ' HB3' ' O ' ' C' ' 330' ' ' HOH 0.34 7.9 p80 53.07 62.8 2.5 Favored 'General case' 0 C--O 1.255 1.343 0 CA-C-O 122.629 1.204 . . . . 89.32 110.103 -175.016 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 155.01 -129.48 2.56 Favored Glycine 0 C--O 1.263 1.928 0 CA-C-N 108.931 -3.759 . . . . 75.37 107.237 -177.873 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 30' ' ' NH2 . . . . . 0.457 ' N ' ' O ' ' C' ' 25' ' ' ALA . . . . . . . . 0 C--N 1.332 -0.191 0 O-C-N 127.241 2.377 . . . . 59.61 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 306' ' ' HOH . . . . . 0.433 ' O ' ' NZ ' ' B' ' 7' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 330' ' ' HOH . . . . . 0.728 ' O ' ' HB3' ' C' ' 28' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.317 . . . . . . . . 25.68 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.45 ' H ' ' CD ' ' A' ' 1' ' ' GLU . 1.5 mp0 -62.94 -34.95 78.56 Favored 'General case' 0 C--N 1.365 1.267 0 N-CA-C 116.202 1.927 . . . . 48.92 116.202 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -72.02 -30.55 65.32 Favored 'General case' 0 CA--C 1.501 -0.932 0 N-CA-C 113.98 1.104 . . . . 31.39 113.98 177.573 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.3 -34.46 63.51 Favored 'General case' 0 CA--C 1.473 -2.009 0 N-CA-C 107.988 -1.116 . . . . 59.31 107.988 171.051 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.78 -40.68 97.25 Favored 'General case' 0 C--N 1.303 -1.425 0 C-N-CA 114.505 -2.878 . . . . 29.15 109.078 -176.501 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.465 HD23 HD21 ' C' ' 23' ' ' LEU . 1.5 tp -57.64 -42.33 83.22 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 122.121 0.962 . . . . 36.43 112.387 178.624 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -58.5 -35.43 72.22 Favored 'General case' 0 CA--C 1.503 -0.86 0 CA-C-N 114.172 -1.376 . . . . 60.79 112.968 175.474 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.5 mttp -82.68 -34.68 27.31 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 124.59 2.138 . . . . 54.69 110.39 -178.393 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.754 ' HD3' HD13 ' B' ' 9' ' ' LEU . 12.1 tttm -62.81 -35.77 80.98 Favored 'General case' 0 N--CA 1.414 -2.232 0 C-N-CA 116.36 -2.136 . . . . 45.22 108.377 176.483 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.83 HD12 HD12 ' C' ' 23' ' ' LEU . 35.6 mt -63.85 -44.95 91.62 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 115.851 1.797 . . . . 34.51 115.851 176.737 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.79 -41.39 99.25 Favored 'General case' 0 CA--C 1.479 -1.764 0 O-C-N 119.245 -2.159 . . . . 33.48 109.567 179.67 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.4 -33.18 75.14 Favored 'General case' 0 CA--C 1.578 2.039 0 N-CA-C 114.782 1.401 . . . . 25.68 114.782 177.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.2 mt -77.58 -36.79 51.61 Favored 'General case' 0 C--O 1.2 -1.517 0 O-C-N 117.947 -2.971 . . . . 32.64 111.356 175.169 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -53.78 -52.82 59.02 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-O 125.417 2.532 . . . . 57.23 112.966 167.942 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.3 t -58.49 -39.49 80.14 Favored 'General case' 0 CA--C 1.476 -1.88 0 CA-C-N 112.593 -2.094 . . . . 33.33 110.746 -178.285 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . 0.419 2.8 ttpm? -74.06 -37.99 64.08 Favored 'General case' 0 C--O 1.244 0.787 0 O-C-N 125.778 1.923 . . . . 63.41 114.425 -177.304 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.947 HD12 HD12 ' C' ' 16' ' ' LEU . 1.3 tt -55.96 -40.71 73.62 Favored 'General case' 0 N--CA 1.436 -1.145 0 CA-C-O 122.983 1.373 . . . . 33.18 109.845 171.994 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -74.07 -29.1 61.71 Favored 'General case' 0 N--CA 1.425 -1.678 0 CA-C-O 122.349 1.071 . . . . 38.23 112.914 -178.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.88 -33.63 57.82 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 118.335 -1.346 . . . . 35.06 109.395 176.229 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.443 HD22 HD12 ' B' ' 23' ' ' LEU . 76.8 mt -60.57 -33.76 73.18 Favored 'General case' 0 C--N 1.313 -0.998 0 O-C-N 120.59 -1.319 . . . . 39.38 111.493 173.948 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -71.17 -40.6 71.17 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-O 122.619 1.199 . . . . 40.01 112.439 -174.98 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.61 -17.81 62.25 Favored 'General case' 0 CA--C 1.577 2.019 0 C-N-CA 119.569 -0.853 . . . . 61.0 110.017 175.556 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 19' ' ' LEU . 13.9 tttp -75.29 -51.57 12.93 Favored 'General case' 0 CA--C 1.564 1.485 0 C-N-CA 126.294 1.837 . . . . 42.71 112.451 173.07 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.499 ' O ' ' HB2' ' A' ' 26' ' ' LEU . 15.0 tp -52.28 -55.73 19.45 Favored 'General case' 0 CA--C 1.494 -1.197 0 C-N-CA 125.972 1.709 . . . . 28.68 107.536 173.497 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.596 ' O ' ' HB3' ' A' ' 28' ' ' HIS . 5.0 mt-10 -47.67 -29.82 3.29 Favored 'General case' 0 C--O 1.26 1.612 0 N-CA-C 116.708 2.114 . . . . 45.48 116.708 173.4 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.31 -34.79 59.03 Favored 'General case' 0 CA--C 1.485 -1.546 0 O-C-N 120.991 -1.068 . . . . 43.19 108.472 -179.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.986 HD11 ' HG2' ' B' ' 27' ' ' GLU . 0.2 OUTLIER -74.09 -39.85 63.13 Favored 'General case' 0 CA--C 1.49 -1.333 0 CA-C-N 112.429 -2.169 . . . . 43.47 111.381 -175.075 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.608 ' O ' ' N ' ' A' ' 29' ' ' GLY . 79.4 mt-10 -74.99 -53.41 8.98 Favored 'General case' 0 N--CA 1.427 -1.598 0 CA-C-O 123.04 1.4 . . . . 47.14 108.533 -178.071 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.596 ' HB3' ' O ' ' A' ' 24' ' ' GLU 0.254 0.4 OUTLIER -64.96 62.21 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.427 0 CA-C-O 126.05 2.833 . . . . 87.0 111.091 -174.367 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.608 ' N ' ' O ' ' A' ' 27' ' ' GLU . . . 91.62 66.9 1.14 Allowed Glycine 0 C--O 1.266 2.104 0 N-CA-C 105.499 -3.041 . . . . 74.81 105.499 -177.091 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.046 1 O-C-N 130.254 4.149 . . . . 66.15 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.604 . . . . . . . . 47.02 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -65.41 -37.53 87.22 Favored 'General case' 0 N--CA 1.437 -1.12 0 C-N-CA 124.455 1.102 . . . . 66.52 113.51 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' TRP . . . . . . . . . . . . . 84.3 t90 -65.85 -42.59 90.26 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-O 125.305 2.479 . . . . 46.54 111.108 176.449 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.22 -46.33 90.14 Favored 'General case' 0 CA--C 1.502 -0.875 0 CA-C-N 112.692 -2.049 . . . . 59.59 114.416 178.441 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.742 ' O ' ' HD3' ' B' ' 8' ' ' LYS . . . -54.03 -50.87 65.7 Favored 'General case' 0 C--O 1.205 -1.245 0 O-C-N 124.364 1.04 . . . . 35.74 110.944 171.719 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 34.9 mt -62.19 -33.44 74.54 Favored 'General case' 0 CA--C 1.509 -0.614 0 O-C-N 120.813 -1.18 . . . . 44.77 109.297 179.005 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 32.2 tp10 -67.39 -47.39 70.46 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 122.251 1.024 . . . . 55.03 113.23 -176.554 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.433 ' NZ ' ' O ' ' B' ' 306' ' ' HOH . 27.8 mttp -55.99 -50.92 69.5 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 114.062 -1.426 . . . . 68.79 111.207 174.14 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' LYS . . . . . 0.742 ' HD3' ' O ' ' B' ' 4' ' ' ALA . 0.0 OUTLIER -53.9 -52.97 58.82 Favored 'General case' 0 C--N 1.351 0.636 0 C-N-CA 127.105 2.162 . . . . 66.53 110.798 -178.234 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.754 HD13 ' HD3' ' A' ' 8' ' ' LYS . 12.5 mt -55.89 -46.13 78.44 Favored 'General case' 0 C--O 1.209 -1.056 0 N-CA-C 113.626 0.973 . . . . 32.34 113.626 173.569 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.04 -37.14 81.56 Favored 'General case' 0 C--N 1.308 -1.238 0 O-C-N 121.086 -1.009 . . . . 38.54 112.754 176.261 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.448 ' O ' ' HG3' ' B' ' 15' ' ' LYS . . . -72.19 -29.94 64.48 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.617 -1.302 . . . . 44.66 112.851 178.437 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 25.2 mt -66.85 -36.34 82.12 Favored 'General case' 0 CA--C 1.495 -1.157 0 O-C-N 124.971 1.419 . . . . 32.9 111.661 173.101 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.496 ' CD ' ' HZ1' ' A' ' 8' ' ' LYS . 13.0 tt0 -63.5 -52.22 62.21 Favored 'General case' 0 C--N 1.36 1.042 0 O-C-N 126.333 2.27 . . . . 52.27 112.138 178.585 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 67.2 m -53.13 -41.82 65.45 Favored 'General case' 0 C--O 1.205 -1.283 0 N-CA-C 112.905 0.705 . . . . 39.55 112.905 174.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' B' ' 11' ' ' ALA . 35.5 mttp -62.72 -53.84 48.25 Favored 'General case' 0 C--O 1.216 -0.687 0 N-CA-C 115.642 1.719 . . . . 48.41 115.642 175.185 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.16 -44.22 61.41 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 114.498 1.295 . . . . 48.21 114.498 172.987 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' GLN . . . . . 0.417 ' NE2' ' O ' ' B' ' 310' ' ' HOH . 27.1 mt-30 -60.88 -37.5 82.36 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-O 122.416 1.103 . . . . 45.05 112.952 -179.808 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.82 -40.7 95.62 Favored 'General case' 0 CA--C 1.487 -1.47 0 CA-C-N 114.409 -1.268 . . . . 31.7 109.128 174.291 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.25 -38.83 75.25 Favored 'General case' 0 C--O 1.192 -1.922 0 CA-C-O 124.029 1.871 . . . . 36.84 108.356 178.354 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -72.47 -21.79 61.17 Favored 'General case' 0 C--N 1.281 -2.383 0 O-C-N 116.873 -3.642 . . . . 31.72 112.649 -179.245 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 9.4 mtmm -70.91 -43.03 69.13 Favored 'General case' 0 C--O 1.271 2.196 0 O-C-N 120.954 -1.091 . . . . 34.93 113.841 174.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -53.46 -57.18 11.56 Favored 'General case' 0 C--O 1.206 -1.216 0 CA-C-N 112.753 -2.021 . . . . 48.0 110.333 172.084 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.675 ' O ' ' HB2' ' B' ' 27' ' ' GLU . 90.6 mt -57.55 -45.55 84.97 Favored 'General case' 0 C--N 1.308 -1.226 0 O-C-N 120.09 -1.631 . . . . 33.51 114.6 176.75 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' B' ' 28' ' ' HIS . 19.7 mm-40 -62.36 -43.18 99.42 Favored 'General case' 0 CA--C 1.486 -1.509 0 CA-C-N 119.919 1.236 . . . . 47.65 109.615 -179.43 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.95 -56.7 12.59 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 126.943 2.652 . . . . 43.35 116.357 172.556 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 4.9 mt -64.33 -45.49 87.67 Favored 'General case' 0 C--O 1.21 -0.99 0 O-C-N 119.829 -1.794 . . . . 44.51 108.439 175.526 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.986 ' HG2' HD11 ' A' ' 26' ' ' LEU . 1.7 tm-20 -64.94 -29.15 70.07 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 114.845 1.424 . . . . 77.0 114.845 -178.351 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' HIS . . . . . 0.489 ' N ' ' O ' ' B' ' 24' ' ' GLU . 7.0 m80 -129.36 -11.12 4.6 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 120.356 3.465 . . . . 82.74 120.356 -172.163 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 159.84 41.61 0.02 OUTLIER Glycine 0 CA--C 1.502 -0.752 0 CA-C-O 113.576 -3.902 . . . . 65.26 116.637 178.119 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.194 0 CA-C-N 120.657 2.228 . . . . 55.78 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.207 . . . . . . . . 40.62 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . 0.282 0.7 OUTLIER -72.94 -54.76 7.82 Favored 'General case' 0 C--N 1.363 1.193 0 C-N-CA 128.528 2.731 . . . . 37.57 110.647 . . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' TRP . . . . . . . . . . . . . 38.5 m0 -56.9 -41.72 78.6 Favored 'General case' 0 C--O 1.262 1.756 0 C-N-CA 116.638 -2.025 . . . . 57.54 111.978 -179.647 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 53.0 mp0 -61.77 -38.59 88.6 Favored 'General case' 0 CA--C 1.493 -1.235 0 CA-C-N 114.713 -1.13 . . . . 33.33 111.935 -179.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.46 -38.55 91.41 Favored 'General case' 0 C--O 1.203 -1.355 0 C-N-CA 115.31 -2.556 . . . . 31.79 110.498 177.66 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 14.6 mt -68.84 -46.16 69.26 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 124.27 1.028 . . . . 41.64 110.731 -179.256 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' GLU . . . . . 0.453 ' OE2' ' OE2' ' A' ' 27' ' ' GLU . 89.8 mt-10 -60.44 -35.89 76.9 Favored 'General case' 0 C--O 1.205 -1.281 0 CA-C-O 123.243 1.497 . . . . 37.27 109.36 176.192 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.25 -49.67 60.71 Favored 'General case' 0 C--O 1.2 -1.504 0 O-C-N 120.49 -1.381 . . . . 53.17 111.614 179.391 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -47.61 74.81 Favored 'General case' 0 C--O 1.255 1.372 0 C-N-CA 127.091 2.157 . . . . 56.04 113.515 -176.489 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.68 -48.83 69.12 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-O 117.236 -1.364 . . . . 42.8 108.631 174.023 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.83 -36.15 82.68 Favored 'General case' 0 C--N 1.386 2.194 0 O-C-N 124.666 1.229 . . . . 32.92 113.762 -177.404 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.35 -35.58 73.66 Favored 'General case' 0 C--N 1.31 -1.144 0 O-C-N 120.397 -1.44 . . . . 45.54 114.312 174.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 19.4 mt -67.22 -48.62 67.3 Favored 'General case' 0 C--N 1.363 1.167 0 CA-C-O 123.498 1.618 . . . . 31.6 110.488 174.166 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -51.35 -29.38 15.1 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 113.285 -1.779 . . . . 37.79 113.276 176.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' SER . . . . . . . . . . . . . 17.4 m -75.35 -35.4 61.16 Favored 'General case' 0 CA--C 1.475 -1.912 0 CA-C-O 123.082 1.42 . . . . 44.99 110.04 -178.538 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' LYS . . . . . 0.468 ' O ' ' HB3' ' C' ' 18' ' ' ALA . 27.9 mttm -72.4 -39.38 67.99 Favored 'General case' 0 N--CA 1.422 -1.828 0 CA-C-N 111.224 -2.716 . . . . 50.4 114.187 -177.45 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' LEU . . . . . 0.947 HD12 HD12 ' A' ' 16' ' ' LEU . 8.1 mt -64.44 -24.75 67.73 Favored 'General case' 0 C--O 1.209 -1.055 0 O-C-N 125.684 1.865 . . . . 43.12 111.625 173.075 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -74.7 -47.55 30.89 Favored 'General case' 0 C--N 1.346 0.45 0 C-N-CA 128.571 2.749 . . . . 77.26 107.837 179.181 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 18' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' C' ' 15' ' ' LYS . . . -50.91 -69.31 0.11 Allowed 'General case' 0 C--O 1.212 -0.905 0 C-N-CA 126.883 2.073 . . . . 49.52 112.322 176.011 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 6.7 mt -47.17 -44.93 22.47 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 126.526 1.93 . . . . 45.1 113.781 173.505 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -65.43 -29.86 70.59 Favored 'General case' 0 C--N 1.342 0.25 0 CA-C-O 122.677 1.227 . . . . 60.92 112.614 176.809 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 21' ' ' LYS . . . . . 0.413 ' HA ' ' HE3' ' C' ' 21' ' ' LYS . 0.0 OUTLIER -67.01 -42.62 84.63 Favored 'General case' 0 N--CA 1.424 -1.772 0 C-N-CA 119.082 -1.047 . . . . 89.92 108.507 175.354 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . 0.307 0.1 OUTLIER -63.49 -46.19 87.29 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 116.731 2.123 . . . . 59.97 116.731 175.746 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.83 HD12 HD12 ' A' ' 9' ' ' LEU . 31.5 mt -59.75 -66.96 0.43 Allowed 'General case' 0 CA--C 1.506 -0.737 0 O-C-N 120.407 -1.433 . . . . 40.8 112.228 -176.498 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 24' ' ' GLU . . . . . 0.524 ' OE2' ' NE2' ' C' ' 28' ' ' HIS 0.467 7.6 tt0 -54.0 -7.31 0.12 Allowed 'General case' 0 CA--C 1.555 1.162 0 CA-C-N 114.919 -1.037 . . . . 78.68 113.392 -178.716 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 25' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' C' ' 30' ' ' NH2 . . . -86.87 -35.45 19.0 Favored 'General case' 0 CA--C 1.558 1.284 0 CA-C-O 123.418 1.58 . . . . 61.46 111.141 170.092 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 35.6 mt -68.34 -66.41 0.57 Allowed 'General case' 0 N--CA 1.415 -2.191 0 N-CA-C 106.512 -1.662 . . . . 52.62 106.512 173.779 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -59.73 127.02 29.89 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 106.731 -1.581 . . . . 81.2 106.731 179.053 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 28' ' ' HIS . . . . . 0.728 ' HB3' ' O ' ' C' ' 330' ' ' HOH 0.34 7.9 p80 53.07 62.8 2.5 Favored 'General case' 0 C--O 1.255 1.343 0 CA-C-O 122.629 1.204 . . . . 89.32 110.103 -175.016 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 155.01 -129.48 2.56 Favored Glycine 0 C--O 1.263 1.928 0 CA-C-N 108.931 -3.759 . . . . 75.37 107.237 -177.873 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 30' ' ' NH2 . . . . . 0.457 ' N ' ' O ' ' C' ' 25' ' ' ALA . . . . . . . . 0 C--N 1.332 -0.191 0 O-C-N 127.241 2.377 . . . . 59.61 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 306' ' ' HOH . . . . . 0.433 ' O ' ' NZ ' ' B' ' 7' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 310' ' ' HOH . . . . . 0.417 ' O ' ' NE2' ' B' ' 17' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 330' ' ' HOH . . . . . 0.728 ' O ' ' HB3' ' C' ' 28' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_