==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 20-APR-07 2YWA . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN TTHA0048; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR Y.KITAMURA,S.YOKOYAMA,S.KURAMITSU,RIKEN STRUCTURAL . 459 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20943.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 383 83.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 10 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 16.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 287 62.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 3 3 4 1 0 4 3 0 0 0 0 0 0 0 0 0 1 0 1 0 1 2 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 2 A A 0 0 110 0, 0.0 2,-0.5 0, 0.0 204,-0.1 0.000 360.0 360.0 360.0 97.3 60.1 -22.2 19.4 2 3 A S > - 0 0 63 202,-0.2 4,-1.4 1,-0.2 5,-0.1 -0.828 360.0-166.4 -98.1 127.4 56.9 -23.2 17.5 3 4 A L H > S+ 0 0 17 -2,-0.5 4,-2.5 2,-0.2 5,-0.2 0.934 90.6 57.6 -74.2 -45.8 53.6 -21.6 18.5 4 5 A A H > S+ 0 0 57 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.826 110.2 45.8 -52.1 -35.4 51.5 -24.2 16.6 5 6 A R H > S+ 0 0 82 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.840 106.7 55.8 -79.6 -35.1 53.1 -26.9 18.7 6 7 A A H X S+ 0 0 2 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.915 109.2 49.3 -63.6 -38.7 52.7 -25.1 22.0 7 8 A V H X S+ 0 0 6 -4,-2.5 4,-3.1 1,-0.2 3,-0.5 0.954 106.3 55.6 -63.2 -47.3 49.0 -24.9 21.3 8 9 A E H X S+ 0 0 111 -4,-1.6 4,-2.0 1,-0.3 -1,-0.2 0.860 108.4 49.1 -51.5 -39.7 49.0 -28.6 20.4 9 10 A R H X S+ 0 0 1 -4,-2.0 4,-1.6 2,-0.2 -1,-0.3 0.821 112.6 46.7 -71.0 -33.9 50.5 -29.4 23.8 10 11 A L H X S+ 0 0 0 -4,-1.7 4,-2.1 -3,-0.5 -2,-0.2 0.953 111.5 49.8 -71.9 -51.7 47.9 -27.2 25.7 11 12 A K H X S+ 0 0 79 -4,-3.1 4,-1.3 1,-0.2 -2,-0.2 0.932 107.5 58.6 -50.1 -48.5 44.9 -28.7 23.7 12 13 A A H >X S+ 0 0 31 -4,-2.0 4,-1.1 -5,-0.3 3,-1.1 0.926 108.1 41.8 -45.9 -60.3 46.3 -32.1 24.6 13 14 A A H 3< S+ 0 0 0 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.829 110.8 58.7 -60.8 -32.5 46.2 -31.6 28.4 14 15 A L H 3< S+ 0 0 24 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.696 102.7 52.3 -72.7 -20.0 42.8 -29.9 28.1 15 16 A E H << S+ 0 0 128 -4,-1.3 -1,-0.2 -3,-1.1 -2,-0.2 0.764 89.6 94.8 -87.2 -26.1 41.2 -32.9 26.5 16 17 A R S < S- 0 0 83 -4,-1.1 2,-0.7 -3,-0.1 343,-0.1 -0.159 94.2 -91.0 -61.0 160.2 42.3 -35.4 29.1 17 18 A P - 0 0 9 0, 0.0 5,-0.2 0, 0.0 -1,-0.1 -0.681 57.2-105.3 -78.7 114.1 39.9 -36.2 32.0 18 19 A K + 0 0 28 -2,-0.7 2,-0.3 -4,-0.1 341,-0.2 0.028 54.2 143.4 -48.8 139.1 40.7 -33.8 34.8 19 20 A D > - 0 0 3 340,-0.1 4,-2.6 -3,-0.0 5,-0.1 -0.904 65.9 -85.8-160.3 168.0 42.6 -34.5 38.0 20 21 A E H > S+ 0 0 13 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.839 125.8 50.7 -56.7 -32.6 45.0 -32.4 40.0 21 22 A F H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.959 113.7 40.8 -70.4 -51.5 48.0 -33.5 37.9 22 23 A I H > S+ 0 0 7 2,-0.2 4,-1.6 -5,-0.2 -2,-0.2 0.854 114.1 58.9 -64.2 -32.2 46.5 -32.8 34.4 23 24 A R H >X S+ 0 0 9 -4,-2.6 4,-2.0 2,-0.2 3,-1.3 0.996 109.7 38.7 -57.8 -69.6 45.1 -29.6 35.9 24 25 A D H 3X S+ 0 0 0 -4,-2.2 4,-3.1 1,-0.3 -2,-0.2 0.874 113.8 55.3 -50.2 -44.1 48.5 -28.2 36.9 25 26 A S H 3X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.3 0.848 107.3 51.9 -60.8 -29.7 50.1 -29.4 33.8 26 27 A A H X S+ 0 0 0 -4,-3.1 4,-1.5 1,-0.2 3,-0.6 0.951 111.3 45.3 -51.6 -56.4 51.9 -24.9 33.2 29 30 A R H 3X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.3 -1,-0.2 0.795 105.6 63.3 -61.3 -28.0 51.4 -25.3 29.4 30 31 A F H 3X S+ 0 0 1 -4,-2.2 4,-1.9 2,-0.2 -1,-0.3 0.927 102.7 50.2 -63.2 -42.7 49.1 -22.3 29.5 31 32 A E H < S+ 0 0 2 -4,-3.2 3,-0.7 1,-0.2 5,-0.3 0.924 112.7 51.0 -58.4 -49.0 54.3 -5.8 15.0 46 47 A E H >< S+ 0 0 89 -4,-3.3 3,-1.2 1,-0.2 -1,-0.2 0.868 97.4 70.1 -57.5 -37.3 57.9 -4.9 15.0 47 48 A L H 3< S+ 0 0 139 -4,-2.4 2,-0.8 -5,-0.3 -1,-0.2 0.916 103.9 42.7 -45.5 -49.9 58.1 -6.2 11.4 48 49 A Q T << S- 0 0 85 -4,-1.1 2,-2.6 -3,-0.7 -1,-0.3 -0.466 126.2 -92.5-100.0 62.2 56.0 -3.2 10.4 49 50 A G S < S+ 0 0 70 -3,-1.2 -3,-0.1 -2,-0.8 -4,-0.1 -0.277 90.1 114.7 69.9 -59.5 57.6 -0.4 12.4 50 51 A L - 0 0 69 -2,-2.6 2,-0.4 -5,-0.3 -1,-0.1 0.157 54.7-141.7 -40.3 159.9 55.4 -0.6 15.5 51 52 A E - 0 0 123 -3,-0.1 2,-0.5 6,-0.1 -1,-0.1 -0.996 16.5-170.6-137.5 136.7 57.0 -1.6 18.8 52 53 A A + 0 0 2 -2,-0.4 -6,-0.1 1,-0.1 6,-0.0 -0.982 7.9 174.1-124.8 116.5 55.8 -3.7 21.7 53 54 A R S S+ 0 0 183 -2,-0.5 -1,-0.1 1,-0.1 3,-0.1 0.393 71.1 24.6-102.1 1.6 58.0 -3.6 24.8 54 55 A S S > S- 0 0 53 1,-0.1 4,-1.9 -16,-0.1 3,-0.3 -0.984 84.7-103.0-160.3 155.7 55.6 -5.6 26.9 55 56 A P H > S+ 0 0 34 0, 0.0 4,-2.5 0, 0.0 3,-0.5 0.915 118.5 51.1 -47.3 -56.9 52.8 -8.2 26.5 56 57 A R H > S+ 0 0 110 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.894 111.3 49.9 -51.4 -41.9 49.9 -5.8 27.2 57 58 A A H > S+ 0 0 30 -3,-0.3 4,-2.8 1,-0.2 -1,-0.3 0.846 108.7 51.9 -65.0 -35.6 51.4 -3.5 24.5 58 59 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 -3,-0.5 -1,-0.2 0.863 111.6 47.4 -68.7 -36.3 51.7 -6.4 22.1 59 60 A I H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.987 114.7 45.2 -65.3 -58.3 48.0 -7.1 22.7 60 61 A R H X S+ 0 0 135 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.856 113.3 52.8 -52.0 -41.1 47.0 -3.5 22.3 61 62 A G H X S+ 0 0 5 -4,-2.8 4,-3.0 1,-0.2 -1,-0.2 0.971 108.8 46.2 -61.7 -55.7 49.2 -3.3 19.2 62 63 A A H < S+ 0 0 0 -4,-2.4 6,-0.3 1,-0.2 -1,-0.2 0.842 109.2 58.6 -56.4 -36.2 47.7 -6.3 17.4 63 64 A F H >< S+ 0 0 22 -4,-2.3 3,-0.7 -5,-0.2 -1,-0.2 0.948 114.8 33.2 -59.4 -51.5 44.3 -5.0 18.3 64 65 A Q H 3< S+ 0 0 153 -4,-1.9 2,-0.5 1,-0.2 -2,-0.2 0.963 113.4 58.0 -71.2 -51.8 44.8 -1.7 16.5 65 66 A V T 3< S- 0 0 44 -4,-3.0 2,-1.4 -5,-0.2 -1,-0.2 0.191 114.9-116.4 -66.0 21.9 47.0 -3.0 13.7 66 67 A G S < S+ 0 0 45 -3,-0.7 -1,-0.2 -2,-0.5 4,-0.0 -0.589 83.1 110.4 85.3 -85.4 44.1 -5.3 12.8 67 68 A L S S+ 0 0 28 -2,-1.4 -4,-0.1 46,-0.1 -1,-0.1 0.336 79.0 38.1 10.3 -88.3 45.5 -8.8 13.4 68 69 A L S S- 0 0 1 -6,-0.3 2,-0.2 -9,-0.2 -2,-0.1 -0.648 90.1-119.3 -85.1 137.7 43.5 -9.9 16.5 69 70 A P - 0 0 53 0, 0.0 2,-0.2 0, 0.0 -6,-0.1 -0.515 47.1 -77.5 -77.3 141.1 39.8 -8.8 16.7 70 71 A E + 0 0 155 -7,-0.2 3,-0.0 -2,-0.2 -7,-0.0 -0.073 66.7 159.3 -38.5 94.7 38.8 -6.6 19.7 71 72 A D > - 0 0 35 -2,-0.2 3,-1.9 1,-0.1 4,-0.5 -0.892 31.5-165.2-129.5 103.0 38.6 -9.1 22.6 72 73 A P T 3> S+ 0 0 107 0, 0.0 4,-0.9 0, 0.0 3,-0.3 0.679 84.0 78.3 -58.8 -13.6 38.7 -7.8 26.1 73 74 A F H 3> S+ 0 0 6 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.807 78.9 66.2 -66.8 -30.7 39.4 -11.4 27.1 74 75 A W H <> S+ 0 0 4 -3,-1.9 4,-2.4 1,-0.3 -1,-0.2 0.927 101.7 48.5 -57.2 -44.0 43.0 -11.3 26.1 75 76 A L H > S+ 0 0 19 -4,-0.5 4,-1.5 -3,-0.3 -1,-0.3 0.817 108.4 56.1 -63.6 -29.5 43.7 -8.8 28.8 76 77 A E H X S+ 0 0 87 -4,-0.9 4,-1.7 2,-0.2 -1,-0.2 0.867 107.0 48.7 -69.5 -37.2 41.8 -11.2 31.1 77 78 A X H X S+ 0 0 1 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.958 105.5 56.8 -66.2 -51.1 44.2 -13.9 30.2 78 79 A L H X S+ 0 0 19 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.878 106.9 51.4 -46.2 -44.1 47.3 -11.8 30.8 79 80 A E H >< S+ 0 0 93 -4,-1.5 3,-1.0 1,-0.2 4,-0.5 0.927 109.7 47.7 -62.5 -47.8 45.9 -11.2 34.3 80 81 A L H >X S+ 0 0 27 -4,-1.7 3,-2.2 1,-0.2 4,-0.9 0.913 103.8 63.1 -58.8 -43.9 45.5 -15.0 35.0 81 82 A R H 3< S+ 0 0 37 -4,-2.9 -1,-0.2 1,-0.3 4,-0.2 0.718 96.6 57.4 -54.6 -26.2 49.0 -15.6 33.6 82 83 A N T << S+ 0 0 87 -3,-1.0 3,-0.3 -4,-0.8 -1,-0.3 0.648 103.8 54.9 -81.0 -14.6 50.5 -13.5 36.4 83 84 A L T X4 S+ 0 0 63 -3,-2.2 3,-4.7 -4,-0.5 4,-0.4 0.714 75.4 94.9 -90.1 -22.5 48.9 -15.8 39.0 84 85 A T G >< S+ 0 0 0 -4,-0.9 3,-1.0 1,-0.3 -1,-0.2 0.776 85.6 54.0 -39.3 -34.5 50.3 -19.1 37.8 85 86 A N G 3 S+ 0 0 28 -3,-0.3 -1,-0.3 1,-0.2 3,-0.2 0.587 103.9 55.3 -82.4 -6.8 53.0 -18.8 40.3 86 87 A H G X S+ 0 0 59 -3,-4.7 3,-1.6 1,-0.2 -1,-0.2 0.296 70.9 111.2-103.9 9.5 50.6 -18.3 43.2 87 88 A T T < + 0 0 0 -3,-1.0 6,-0.2 -4,-0.4 -1,-0.2 0.253 41.4 100.4 -68.5 14.9 48.7 -21.5 42.5 88 89 A Y T 3 S+ 0 0 51 -3,-0.2 2,-0.9 1,-0.1 -1,-0.3 0.706 71.6 80.2 -68.6 -14.6 50.0 -22.9 45.7 89 90 A D S X> S- 0 0 69 -3,-1.6 4,-1.5 1,-0.1 3,-0.7 -0.818 80.2-155.8 -90.6 100.1 46.5 -21.8 46.5 90 91 A E H 3> S+ 0 0 63 -2,-0.9 4,-1.6 1,-0.2 -1,-0.1 0.735 88.7 57.1 -54.6 -27.1 44.4 -24.7 45.1 91 92 A A H 3> S+ 0 0 58 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.922 105.6 50.3 -70.5 -42.6 41.3 -22.7 44.6 92 93 A L H <> S+ 0 0 12 -3,-0.7 4,-1.5 1,-0.2 -2,-0.2 0.832 106.1 58.1 -62.4 -32.4 43.1 -20.2 42.4 93 94 A A H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 3,-0.3 0.934 109.3 43.1 -62.2 -47.1 44.4 -23.2 40.4 94 95 A E H X S+ 0 0 67 -4,-1.6 4,-1.7 1,-0.2 -2,-0.2 0.896 109.5 57.1 -64.2 -42.4 40.8 -24.3 39.7 95 96 A R H < S+ 0 0 145 -4,-2.5 -1,-0.2 1,-0.2 4,-0.2 0.794 112.0 43.6 -59.4 -31.2 39.8 -20.7 39.0 96 97 A I H >X S+ 0 0 0 -4,-1.5 3,-2.0 -3,-0.3 4,-0.9 0.909 108.7 53.8 -81.6 -47.8 42.5 -20.6 36.3 97 98 A Y H 3< S+ 0 0 34 -4,-2.5 3,-0.3 1,-0.3 -2,-0.2 0.771 98.1 69.6 -58.5 -25.3 41.9 -24.0 34.7 98 99 A A T 3< S+ 0 0 60 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.746 104.7 38.5 -65.4 -23.7 38.3 -22.9 34.3 99 100 A E T X> S+ 0 0 59 -3,-2.0 4,-2.3 -4,-0.2 3,-1.0 0.570 89.1 91.1-104.4 -11.0 39.3 -20.3 31.7 100 101 A L H 3X S+ 0 0 0 -4,-0.9 4,-2.5 -3,-0.3 5,-0.2 0.848 80.1 60.8 -53.7 -39.8 41.9 -22.3 29.8 101 102 A P H 3> S+ 0 0 64 0, 0.0 4,-0.9 0, 0.0 -1,-0.3 0.873 110.3 42.0 -57.4 -36.1 39.4 -23.8 27.3 102 103 A K H X> S+ 0 0 83 -3,-1.0 4,-1.7 2,-0.2 3,-0.8 0.927 110.3 55.7 -74.5 -46.6 38.6 -20.2 26.2 103 104 A A H 3X S+ 0 0 2 -4,-2.3 4,-2.1 1,-0.3 -1,-0.2 0.860 104.3 56.6 -52.4 -36.3 42.2 -19.2 26.2 104 105 A L H 3X S+ 0 0 17 -4,-2.5 4,-2.6 1,-0.2 -1,-0.3 0.880 102.4 54.7 -64.1 -37.7 42.8 -22.1 23.8 105 106 A E H < S+ 0 0 150 -4,-1.3 3,-1.8 -5,-0.2 -2,-0.2 0.980 111.2 48.9 -64.4 -59.7 44.7 -18.8 11.9 113 114 A R H 3< S+ 0 0 95 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.771 97.3 68.5 -54.7 -28.9 45.0 -15.1 11.5 114 115 A L T 3< 0 0 59 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.1 0.324 360.0 360.0 -73.1 14.7 48.8 -15.3 11.2 115 116 A E < 0 0 201 -3,-1.8 -1,-0.2 -5,-0.1 -2,-0.0 -0.028 360.0 360.0 62.4 360.0 47.7 -17.0 8.0 116 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 117 2 B A 0 0 107 0, 0.0 2,-0.5 0, 0.0 -28,-0.1 0.000 360.0 360.0 360.0 135.8 49.4 -20.8 52.3 118 3 B S > - 0 0 65 -30,-0.2 4,-1.9 1,-0.2 5,-0.1 -0.862 360.0-162.6-103.8 131.2 51.5 -23.7 53.8 119 4 B L H > S+ 0 0 13 -2,-0.5 4,-3.0 2,-0.2 5,-0.3 0.961 96.3 56.3 -70.8 -51.2 55.0 -24.4 52.6 120 5 B A H > S+ 0 0 53 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.853 110.3 46.3 -46.4 -40.2 54.8 -27.9 54.2 121 6 B R H > S+ 0 0 48 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.906 110.9 50.4 -71.7 -41.8 51.7 -28.5 52.1 122 7 B A H X S+ 0 0 2 -4,-1.9 4,-1.2 1,-0.2 -2,-0.2 0.857 109.2 52.5 -65.1 -34.7 53.2 -27.2 48.8 123 8 B V H >X S+ 0 0 7 -4,-3.0 4,-2.6 1,-0.2 3,-0.6 0.939 106.6 53.4 -65.0 -44.3 56.2 -29.4 49.3 124 9 B E H 3X S+ 0 0 52 -4,-1.7 4,-2.1 -5,-0.3 -1,-0.2 0.823 105.1 55.3 -57.7 -34.0 53.9 -32.4 49.8 125 10 B R H 3X S+ 0 0 1 -4,-1.5 4,-1.7 2,-0.2 -1,-0.3 0.828 109.1 46.8 -69.5 -31.4 52.3 -31.5 46.5 126 11 B L H X S+ 0 0 1 -4,-2.1 4,-1.8 1,-0.3 3,-0.9 0.960 108.7 45.9 -54.0 -58.1 53.4 -36.4 45.2 129 14 B A H 3< S+ 0 0 0 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.831 112.9 54.1 -57.6 -27.7 53.9 -35.5 41.6 130 15 B L H 3< S+ 0 0 28 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.793 105.4 51.3 -77.5 -26.9 57.4 -36.8 41.9 131 16 B E H << S+ 0 0 82 -4,-1.8 -2,-0.2 -3,-0.9 -1,-0.2 0.893 90.1 92.2 -76.6 -39.3 56.4 -40.2 43.2 132 17 B R S < S- 0 0 21 -4,-1.8 0, 0.0 -5,-0.2 0, 0.0 -0.199 95.3 -91.8 -56.2 142.2 53.9 -41.0 40.4 133 18 B P - 0 0 75 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 -0.301 56.6-102.4 -56.7 136.7 55.3 -42.8 37.4 134 19 B K + 0 0 94 -3,-0.1 2,-0.3 -4,-0.1 3,-0.1 -0.160 54.9 134.5 -70.9 155.0 56.5 -40.3 34.8 135 20 B D > - 0 0 58 1,-0.1 4,-3.1 0, 0.0 5,-0.2 -0.904 67.2 -77.7-176.7 174.7 55.0 -39.1 31.5 136 21 B E H > S+ 0 0 83 -2,-0.3 4,-3.2 1,-0.2 5,-0.3 0.960 126.2 47.2 -56.1 -56.2 54.5 -35.7 29.9 137 22 B F H > 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0.899 98.0 63.2 -49.6 -46.8 39.9 -37.9 55.1 329 99 C A T 3< S+ 0 0 65 -4,-2.2 -1,-0.3 1,-0.3 4,-0.2 0.733 104.5 48.5 -51.9 -24.9 40.7 -35.3 57.7 330 100 C E T X> S+ 0 0 48 -3,-2.0 4,-2.3 -4,-0.3 3,-1.1 0.674 87.3 86.4 -91.8 -19.3 39.3 -37.7 60.3 331 101 C L H S+ 0 0 68 0, 0.0 4,-1.3 0, 0.0 -1,-0.3 0.865 111.7 46.6 -56.2 -30.5 44.3 -40.3 61.2 333 103 C K H X> S+ 0 0 82 -3,-1.1 4,-1.6 2,-0.2 3,-0.6 0.966 111.4 49.5 -70.0 -56.4 42.0 -40.1 64.3 334 104 C A H 3X S+ 0 0 2 -4,-2.3 4,-1.8 1,-0.3 -1,-0.2 0.839 105.6 60.1 -51.0 -37.7 40.0 -43.2 63.3 335 105 C L H 3X S+ 0 0 12 -4,-3.3 4,-2.5 1,-0.2 5,-0.3 0.922 100.5 52.3 -60.8 -44.1 43.3 -45.0 62.8 336 106 C E H < S+ 0 0 51 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.953 108.3 57.1 -56.6 -49.7 43.6 -54.4 68.3 343 113 C R H 3< S+ 0 0 156 -4,-2.3 3,-0.4 1,-0.3 -1,-0.2 0.835 110.1 46.3 -50.4 -34.7 45.8 -53.5 71.2 344 114 C R H 3< S+ 0 0 83 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.642 91.0 75.8 -86.3 -17.1 42.8 -54.4 73.5 345 115 C L << 0 0 58 -3,-1.2 -1,-0.2 -4,-1.2 -2,-0.1 0.094 360.0 360.0 -82.6 27.8 41.8 -57.7 71.9 346 116 C E 0 0 210 -3,-0.4 -2,-0.2 0, 0.0 -3,-0.2 0.838 360.0 360.0 69.7 360.0 44.8 -59.1 73.7 347 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 348 2 D A 0 0 105 0, 0.0 2,-0.7 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 113.6 26.0 -33.2 42.1 349 3 D S > - 0 0 75 1,-0.2 4,-1.8 -30,-0.1 5,-0.1 -0.760 360.0-165.7 -91.2 118.2 27.2 -33.7 38.5 350 4 D L H > S+ 0 0 13 -2,-0.7 4,-2.6 1,-0.2 3,-0.3 0.960 92.5 56.5 -59.6 -52.1 27.0 -37.2 37.3 351 5 D A H > S+ 0 0 48 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.894 104.6 52.2 -46.3 -48.9 29.3 -36.3 34.3 352 6 D R H > S+ 0 0 48 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.921 109.0 49.6 -57.5 -44.1 31.9 -35.0 36.7 353 7 D A H X S+ 0 0 3 -4,-1.8 4,-2.5 -3,-0.3 5,-0.3 0.901 107.0 54.4 -62.4 -40.5 31.9 -38.3 38.7 354 8 D V H X S+ 0 0 7 -4,-2.6 4,-3.1 1,-0.2 -1,-0.2 0.930 109.8 49.4 -58.2 -40.1 32.2 -40.2 35.4 355 9 D E H X S+ 0 0 63 -4,-2.2 4,-3.0 -5,-0.2 -2,-0.2 0.924 107.8 52.5 -61.8 -48.8 35.3 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39.2 390 44 D T H 3< S+ 0 0 80 -4,-1.2 4,-0.2 1,-0.3 -2,-0.2 0.899 111.4 52.5 -45.1 -49.2 14.5 -38.7 38.8 391 45 D F H >< S+ 0 0 63 -4,-2.8 3,-0.8 1,-0.2 4,-0.3 0.876 111.3 46.4 -56.3 -40.6 14.2 -39.2 35.0 392 46 D L H X<>S+ 0 0 1 -4,-1.3 5,-1.9 -3,-0.8 3,-1.3 0.820 102.8 61.1 -73.4 -32.8 11.8 -42.1 35.6 393 47 D E T 3<5S+ 0 0 95 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.443 96.3 67.1 -74.4 4.0 9.7 -40.2 38.1 394 48 D L T < 5S+ 0 0 129 -3,-0.8 -1,-0.3 -5,-0.3 -2,-0.2 0.660 96.9 49.1 -94.4 -22.5 9.1 -37.8 35.2 395 49 D Q T < 5S- 0 0 87 -3,-1.3 -2,-0.2 -4,-0.3 -1,-0.2 0.285 124.4-103.8 -95.9 8.4 7.1 -40.3 33.2 396 50 D G T 5S+ 0 0 70 1,-0.2 -3,-0.2 -4,-0.1 2,-0.1 0.715 81.1 136.3 76.9 18.9 5.0 -41.0 36.2 397 51 D L < - 0 0 65 -5,-1.9 2,-0.4 -8,-0.1 -1,-0.2 -0.385 47.4-130.6 -90.1 173.0 6.9 -44.2 36.8 398 52 D E + 0 0 132 -2,-0.1 2,-0.2 -3,-0.1 -5,-0.0 -0.963 27.6 166.1-129.4 146.7 8.2 -45.5 40.0 399 53 D A + 0 0 1 -2,-0.4 -6,-0.1 9,-0.0 6,-0.1 -0.649 2.4 170.0-159.5 92.1 11.6 -46.9 41.0 400 54 D 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