==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-JUL-04 1TXO . COMPND 2 MOLECULE: PUTATIVE BACTERIAL ENZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR K.E.PULLEN,H.L.NG,P.Y.SUNG,M.C.GOOD,S.M.SMITH,T.ALBER,TB . 471 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21900.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 319 67.7 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 . 120 25.5 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 . 6 1.3 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 . 20 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 120 25.5 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 3 0 0 3 1 0 0 0 0 1 3 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 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 . 4 2 0 4 6 2 2 0 2 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 2 0 4 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 6 A L 0 0 92 0, 0.0 2,-0.3 0, 0.0 234,-0.2 0.000 360.0 360.0 360.0 141.9 0.4 1.8 20.4 2 7 A V E -A 234 0A 85 232,-2.1 232,-2.2 2,-0.0 2,-0.5 -0.889 360.0-122.4-127.1 162.3 -0.1 3.4 23.8 3 8 A L E -A 233 0A 25 23,-0.3 2,-0.6 -2,-0.3 230,-0.2 -0.907 14.5-169.1-106.7 125.5 -2.2 6.4 25.2 4 9 A R E +A 232 0A 134 228,-2.3 228,-2.8 -2,-0.5 2,-0.3 -0.973 29.4 170.8-109.2 114.1 -0.6 9.3 27.0 5 10 A Y E -A 231 0A 105 -2,-0.6 2,-0.3 226,-0.2 226,-0.2 -0.816 30.6-164.7-126.9 159.5 -3.5 11.2 28.6 6 11 A A E -A 230 0A 14 224,-2.3 224,-2.6 -2,-0.3 2,-0.4 -0.963 11.2-167.5-141.8 128.7 -4.4 14.0 30.9 7 12 A A E +A 229 0A 47 -2,-0.3 2,-0.3 222,-0.2 222,-0.2 -0.935 7.8 176.9-114.8 138.0 -7.9 14.6 32.3 8 13 A R E -A 228 0A 116 220,-2.1 220,-2.6 -2,-0.4 2,-0.4 -0.994 5.2-174.8-141.1 136.2 -9.0 17.7 34.2 9 14 A S E -A 227 0A 46 -2,-0.3 2,-0.3 218,-0.2 218,-0.2 -0.994 4.8-178.2-131.6 137.4 -12.5 18.7 35.6 10 15 A D E -A 226 0A 60 216,-2.6 216,-2.6 -2,-0.4 10,-0.1 -0.990 31.1-137.9-137.7 145.9 -13.5 22.0 37.1 11 16 A R - 0 0 110 -2,-0.3 4,-0.4 214,-0.2 3,-0.3 0.805 47.0-140.0 -66.2 -31.7 -16.7 23.3 38.7 12 17 A G - 0 0 1 1,-0.2 -1,-0.2 213,-0.1 210,-0.1 -0.505 30.1 -72.1 90.9-170.1 -16.4 26.7 37.0 13 18 A L S S+ 0 0 108 209,-1.9 -1,-0.2 208,-0.3 209,-0.1 0.445 121.8 36.6-101.4 -2.8 -17.1 30.1 38.5 14 19 A V S S+ 0 0 99 208,-0.9 -2,-0.1 -3,-0.3 210,-0.1 0.797 89.7 82.9-117.1 -58.1 -21.0 29.9 38.6 15 20 A R - 0 0 108 -4,-0.4 209,-0.1 207,-0.3 3,-0.0 -0.132 66.6-136.2 -61.6 151.3 -22.4 26.4 39.4 16 21 A A S S+ 0 0 100 1,-0.1 2,-0.3 -3,-0.0 -1,-0.1 0.735 83.0 9.3 -77.7 -25.6 -22.7 25.1 43.0 17 22 A N S S- 0 0 39 -6,-0.1 2,-0.7 208,-0.0 208,-0.1 -0.913 77.9-101.9-148.6 172.7 -21.4 21.7 42.2 18 23 A N + 0 0 45 -2,-0.3 -7,-0.1 1,-0.1 -6,-0.1 -0.892 30.6 170.1-110.4 108.9 -19.7 19.6 39.5 19 24 A E + 0 0 24 -2,-0.7 15,-2.0 15,-0.2 2,-0.3 0.313 48.9 103.5-100.0 4.6 -22.0 17.2 37.5 20 25 A D E -E 33 0B 9 13,-0.2 2,-0.3 -10,-0.1 13,-0.2 -0.664 51.9-167.9 -76.4 142.9 -19.4 16.3 34.9 21 26 A S E -E 32 0B 27 11,-2.7 11,-2.9 -2,-0.3 2,-0.3 -0.969 4.6-174.2-129.8 152.7 -17.7 12.8 35.2 22 27 A V E -E 31 0B 45 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.991 12.5-167.1-148.6 144.8 -14.7 11.6 33.3 23 28 A Y E +E 30 0B 66 7,-2.8 7,-2.9 -2,-0.3 2,-0.3 -0.998 9.2 174.1-132.4 138.5 -12.7 8.4 32.9 24 29 A A E +E 29 0B 17 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.949 17.0 139.6-145.6 126.8 -9.3 8.0 31.3 25 30 A G - 0 0 7 3,-2.1 -2,-0.0 -2,-0.3 -20,-0.0 -0.566 65.3 -58.6-142.1-155.0 -7.2 4.9 31.2 26 31 A A S S- 0 0 71 -2,-0.2 -23,-0.3 30,-0.2 3,-0.1 0.810 128.5 -1.9 -71.3 -33.0 -5.0 2.7 29.0 27 32 A R S S+ 0 0 51 1,-0.2 74,-2.7 29,-0.1 2,-0.5 0.460 119.1 73.8-135.1 -10.2 -7.6 2.2 26.3 28 33 A L E + F 0 100B 0 72,-0.2 -3,-2.1 28,-0.1 2,-0.4 -0.955 44.9 179.2-116.8 129.7 -10.8 3.9 27.4 29 34 A L E +EF 24 99B 1 70,-2.5 70,-2.6 -2,-0.5 2,-0.3 -0.996 16.4 171.6-119.3 132.6 -11.6 7.7 27.4 30 35 A A E -EF 23 98B 0 -7,-2.9 -7,-2.8 -2,-0.4 2,-0.4 -0.999 14.8-176.2-149.0 138.6 -15.1 8.7 28.6 31 36 A L E -EF 22 97B 0 66,-2.4 66,-2.3 -2,-0.3 2,-0.4 -0.994 1.8-175.6-141.6 130.0 -16.9 11.9 29.5 32 37 A A E -E 21 0B 0 -11,-2.9 -11,-2.7 -2,-0.4 2,-0.8 -0.984 12.8-157.0-133.6 117.9 -20.4 12.4 30.8 33 38 A D E -E 20 0B 17 -2,-0.4 62,-1.9 -13,-0.2 -13,-0.2 -0.855 25.3-156.0 -97.8 103.8 -22.0 15.8 31.3 34 39 A G E -I 94 0C 4 -15,-2.0 2,-0.3 -2,-0.8 60,-0.3 -0.398 12.5-170.1 -84.3 155.8 -24.8 15.2 33.9 35 40 A X E +I 93 0C 63 58,-2.9 58,-2.2 6,-0.2 9,-0.2 -0.993 27.9 104.7-142.9 152.3 -27.9 17.1 34.6 36 41 A G >> - 0 0 23 -2,-0.3 5,-1.6 56,-0.2 4,-0.6 -0.349 60.4 -88.8 142.3 136.2 -30.6 17.1 37.3 37 42 A G T >45S+ 0 0 58 1,-0.2 3,-1.3 2,-0.2 55,-0.1 -0.119 103.2 28.3 -65.8 158.6 -31.6 19.2 40.3 38 43 A H T 345S- 0 0 205 1,-0.3 -1,-0.2 2,-0.1 51,-0.0 0.867 137.5 -59.3 58.8 41.0 -30.3 18.7 43.8 39 44 A A T >>5S+ 0 0 35 -3,-0.4 3,-1.0 1,-0.1 4,-0.8 0.665 99.7 136.0 62.3 22.6 -27.0 17.3 42.4 40 45 A A H S+ 0 0 82 -3,-1.0 4,-1.9 -6,-0.2 -1,-0.2 0.876 106.6 49.5 -64.0 -39.1 -23.7 13.9 39.6 43 48 A V H X S+ 0 0 50 -4,-0.8 4,-2.4 -3,-0.2 -2,-0.2 0.936 110.6 47.6 -67.4 -47.7 -25.6 10.6 40.0 44 49 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.916 114.6 45.2 -61.6 -44.3 -26.5 10.2 36.4 45 50 A S H X S+ 0 0 0 -4,-1.9 4,-2.1 48,-0.2 5,-0.2 0.897 113.7 50.6 -70.5 -36.9 -22.9 10.9 35.1 46 51 A Q H X S+ 0 0 104 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.913 109.6 50.7 -63.0 -44.2 -21.4 8.7 37.8 47 52 A L H X S+ 0 0 29 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.905 112.4 45.2 -63.6 -43.5 -23.7 5.8 36.9 48 53 A V H X S+ 0 0 0 -4,-1.9 4,-1.1 2,-0.2 -1,-0.2 0.911 113.5 48.5 -70.0 -42.8 -22.9 5.9 33.2 49 54 A I H X S+ 0 0 15 -4,-2.1 4,-1.7 1,-0.2 3,-0.4 0.894 109.9 53.4 -63.3 -40.0 -19.1 6.3 33.6 50 55 A A H < S+ 0 0 54 -4,-2.3 4,-0.5 1,-0.2 -1,-0.2 0.852 106.3 53.1 -63.4 -34.9 -19.1 3.3 36.1 51 56 A A H < S+ 0 0 21 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.773 114.0 42.4 -70.2 -27.6 -20.9 1.2 33.5 52 57 A L H >< S+ 0 0 0 -4,-1.1 3,-1.9 -3,-0.4 4,-0.3 0.712 91.9 85.5 -88.8 -24.1 -18.3 1.9 30.9 53 58 A A G >< S+ 0 0 28 -4,-1.7 3,-1.9 1,-0.3 4,-0.2 0.784 78.9 63.9 -51.7 -36.8 -15.2 1.6 33.2 54 59 A H G > S+ 0 0 106 -4,-0.5 3,-1.9 1,-0.3 4,-0.4 0.770 86.5 73.2 -64.1 -26.6 -14.9 -2.2 32.7 55 60 A L G < S+ 0 0 12 -3,-1.9 -1,-0.3 1,-0.3 3,-0.2 0.649 86.2 67.4 -58.7 -17.7 -14.2 -1.7 29.0 56 61 A D G < S+ 0 0 21 -3,-1.9 -1,-0.3 -4,-0.3 -30,-0.2 0.647 88.6 67.1 -73.6 -17.6 -10.8 -0.4 30.1 57 62 A D S < S+ 0 0 105 -3,-1.9 2,-0.3 -4,-0.2 -1,-0.2 0.830 100.8 31.3 -78.6 -37.3 -9.6 -3.8 31.4 58 63 A D S S- 0 0 121 -4,-0.4 -1,-0.1 -3,-0.2 3,-0.0 -0.873 84.2 -95.7-128.2 155.2 -9.4 -6.0 28.2 59 64 A E - 0 0 110 -2,-0.3 43,-0.1 1,-0.1 -3,-0.1 -0.543 37.5-140.0 -62.1 125.1 -8.6 -5.8 24.5 60 65 A P + 0 0 17 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.867 34.7 174.0 -61.0 -40.8 -12.1 -5.4 22.8 61 66 A G + 0 0 48 1,-0.2 3,-0.5 2,-0.0 -3,-0.0 -0.300 54.5 4.7 63.9-149.4 -11.4 -7.7 19.8 62 67 A G S S+ 0 0 85 1,-0.2 2,-1.0 2,-0.1 3,-0.3 0.764 133.5 32.1 -34.3 -69.2 -14.1 -8.6 17.4 63 68 A D > + 0 0 110 -3,-0.4 4,-1.5 1,-0.2 -1,-0.2 -0.642 63.9 150.4-103.1 76.2 -17.1 -6.6 18.5 64 69 A L H > S+ 0 0 5 -2,-1.0 4,-1.6 -3,-0.5 -1,-0.2 0.901 78.3 47.6 -65.7 -44.3 -15.6 -3.4 19.9 65 70 A L H > S+ 0 0 39 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.862 109.6 51.4 -68.4 -38.6 -18.7 -1.4 18.9 66 71 A A H > S+ 0 0 45 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.883 109.9 51.2 -66.4 -35.9 -21.2 -3.9 20.3 67 72 A K H X S+ 0 0 62 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.848 111.6 46.3 -67.9 -37.8 -19.3 -3.9 23.6 68 73 A L H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.914 112.8 51.0 -66.9 -44.8 -19.4 -0.1 23.8 69 74 A D H X S+ 0 0 37 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.880 110.1 48.8 -60.2 -41.4 -23.1 -0.2 22.9 70 75 A A H X S+ 0 0 59 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.870 110.3 51.1 -68.8 -38.3 -23.9 -2.7 25.6 71 76 A A H X S+ 0 0 2 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.897 110.6 48.4 -65.7 -42.6 -22.0 -0.6 28.2 72 77 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.906 112.3 48.7 -64.4 -43.3 -23.9 2.6 27.3 73 78 A R H X S+ 0 0 108 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.838 109.6 53.2 -65.5 -33.9 -27.2 0.7 27.5 74 79 A A H X S+ 0 0 51 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.836 109.6 48.3 -68.3 -35.8 -26.2 -0.7 30.9 75 80 A G H X S+ 0 0 0 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.897 111.4 49.8 -68.5 -42.1 -25.5 2.8 32.1 76 81 A N H X S+ 0 0 12 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.878 110.8 49.7 -63.4 -39.8 -28.9 4.0 30.8 77 82 A S H X S+ 0 0 78 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.843 106.2 56.5 -68.0 -33.9 -30.6 1.1 32.5 78 83 A A H X S+ 0 0 33 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.847 105.5 51.6 -66.0 -33.9 -28.8 1.9 35.8 79 84 A I H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.943 110.1 48.5 -65.7 -46.8 -30.3 5.4 35.6 80 85 A A H X S+ 0 0 38 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.921 112.7 48.4 -58.7 -43.9 -33.8 4.0 35.1 81 86 A A H X S+ 0 0 41 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.861 110.1 51.3 -66.3 -36.1 -33.2 1.6 38.1 82 87 A Q H X S+ 0 0 60 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.863 108.0 52.0 -68.7 -37.0 -31.9 4.5 40.3 83 88 A V H < S+ 0 0 19 -4,-2.2 6,-0.2 2,-0.2 7,-0.2 0.872 106.4 55.2 -66.4 -37.7 -35.0 6.6 39.4 84 89 A E H < S+ 0 0 158 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.917 109.5 46.4 -55.5 -47.1 -37.2 3.6 40.5 85 90 A X H < S+ 0 0 161 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.830 131.0 20.4 -69.6 -35.4 -35.4 3.5 43.9 86 91 A E >< - 0 0 84 -4,-1.9 3,-2.1 -5,-0.1 -1,-0.3 -0.782 67.9-172.6-136.5 89.3 -35.8 7.3 44.4 87 92 A P G > S+ 0 0 81 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.669 78.9 76.2 -55.3 -22.3 -38.5 8.8 42.1 88 93 A D G 3 S+ 0 0 148 1,-0.3 -5,-0.1 3,-0.0 0, 0.0 0.648 85.8 65.9 -63.2 -15.7 -37.5 12.3 43.1 89 94 A L G X S+ 0 0 33 -3,-2.1 3,-2.4 -6,-0.2 -1,-0.3 0.531 70.5 128.8 -80.2 -9.5 -34.6 11.8 40.7 90 95 A E T < + 0 0 114 -3,-1.8 3,-0.1 1,-0.3 -10,-0.0 -0.214 65.7 39.5 -49.7 134.8 -36.9 11.6 37.7 91 96 A G T 3 S+ 0 0 54 1,-0.4 -1,-0.3 71,-0.3 -2,-0.1 -0.007 85.8 125.8 108.5 -27.6 -35.6 14.1 35.1 92 97 A X < + 0 0 2 -3,-2.4 -1,-0.4 -13,-0.1 2,-0.3 -0.242 28.4 138.3 -66.9 151.7 -31.9 13.4 35.7 93 98 A G E -I 35 0C 0 -58,-2.2 -58,-2.9 -3,-0.1 2,-0.3 -0.967 29.9-141.5-171.6-173.0 -29.7 12.4 32.8 94 99 A T E -IJ 34 161C 0 67,-1.9 67,-2.8 -2,-0.3 -60,-0.2 -0.990 15.7-121.0-163.3 150.1 -26.3 12.8 31.1 95 100 A T - 0 0 2 -62,-1.9 2,-0.3 -2,-0.3 17,-0.2 -0.418 29.1-159.2 -76.3 168.7 -24.5 13.1 27.8 96 101 A L E + G 0 111B 1 15,-2.5 15,-1.9 -64,-0.2 2,-0.4 -0.878 19.1 170.8-153.9 129.4 -21.8 10.5 27.0 97 102 A T E +FG 31 110B 0 -66,-2.3 -66,-2.4 -2,-0.3 2,-0.3 -0.996 19.2 165.5-130.8 126.6 -18.9 10.6 24.6 98 103 A A E -FG 30 109B 0 11,-2.4 11,-2.4 -2,-0.4 2,-0.4 -0.998 23.5-158.5-146.0 144.1 -16.4 7.8 24.8 99 104 A I E -FG 29 108B 0 -70,-2.6 -70,-2.5 -2,-0.3 2,-0.5 -0.994 4.6-165.8-121.3 131.9 -13.6 6.3 22.8 100 105 A L E -FG 28 107B 2 7,-2.4 7,-2.4 -2,-0.4 2,-0.3 -0.980 17.0-148.1-117.8 119.6 -12.3 2.8 23.1 101 106 A F E + G 0 106B 12 -74,-2.7 5,-0.2 -2,-0.5 2,-0.2 -0.635 23.7 170.8 -93.0 141.8 -8.9 2.1 21.4 102 107 A A E > - G 0 105B 18 3,-3.1 3,-1.3 -2,-0.3 2,-0.2 -0.668 61.3 -75.5-147.6 86.2 -7.7 -1.2 19.8 103 108 A G T 3 S- 0 0 40 1,-0.3 -1,-0.2 -102,-0.2 -101,-0.0 -0.398 117.2 -0.8 63.3-121.2 -4.5 -0.7 17.9 104 109 A N T 3 S+ 0 0 91 -2,-0.2 71,-1.9 -3,-0.1 2,-0.3 0.252 130.2 66.0 -85.7 14.4 -5.0 1.1 14.6 105 110 A R E < -GH 102 174B 108 -3,-1.3 -3,-3.1 69,-0.3 2,-0.3 -0.937 56.9-174.9-130.3 153.2 -8.8 1.2 15.3 106 111 A L E -GH 101 173B 0 67,-2.2 67,-2.6 -2,-0.3 2,-0.4 -0.981 18.7-136.7-139.7 155.4 -11.1 2.9 17.8 107 112 A G E -GH 100 172B 0 -7,-2.4 -7,-2.4 -2,-0.3 2,-0.5 -0.929 17.7-161.0-106.0 138.3 -14.8 2.8 18.6 108 113 A L E -GH 99 171B 3 63,-2.7 63,-2.4 -2,-0.4 2,-0.4 -0.984 7.0-174.8-121.4 124.5 -16.6 6.1 19.2 109 114 A V E +GH 98 170B 0 -11,-2.4 -11,-2.4 -2,-0.5 2,-0.3 -0.977 13.7 173.9-120.2 137.3 -19.9 6.2 21.0 110 115 A H E +GH 97 169B 7 59,-2.1 59,-2.4 -2,-0.4 2,-0.3 -0.994 19.2 153.6-152.2 136.3 -21.8 9.5 21.4 111 116 A I E +G 96 0B 2 -15,-1.9 -15,-2.5 -2,-0.3 3,-0.3 -0.909 56.8 19.0-155.6 135.7 -25.0 11.1 22.6 112 117 A G S S- 0 0 0 -2,-0.3 19,-1.6 -17,-0.2 48,-0.1 -0.706 99.1 -56.0 107.5-159.0 -25.6 14.7 23.8 113 118 A D S S+ 0 0 5 -2,-0.3 -1,-0.1 17,-0.2 2,-0.1 0.219 92.1 109.3-117.5 12.2 -23.7 17.9 23.4 114 119 A S - 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0 0 138 -2,-0.3 3,-0.1 2,-0.0 -2,-0.0 -0.734 24.1-172.2-134.6 85.0 42.5 -10.0 46.5 405 173 B P - 0 0 14 0, 0.0 2,-0.3 0, 0.0 -57,-0.2 -0.296 35.7 -91.4 -73.9 160.1 42.2 -8.8 50.1 406 174 B T E -S 347 0F 63 -59,-2.5 -59,-1.8 -40,-0.1 2,-0.4 -0.579 44.6-175.6 -66.4 129.5 45.0 -8.7 52.6 407 175 B L E +S 346 0F 55 -2,-0.3 2,-0.3 -61,-0.2 -61,-0.2 -0.984 18.2 144.9-130.9 120.3 45.2 -11.9 54.6 408 176 B T E -S 345 0F 38 -63,-2.1 -63,-2.9 -2,-0.4 2,-0.3 -0.997 35.3-133.7-159.5 152.5 47.7 -12.1 57.4 409 177 B X E -S 344 0F 72 -2,-0.3 2,-0.3 -65,-0.2 -65,-0.2 -0.807 18.4-179.2-113.3 149.3 48.4 -13.5 60.8 410 178 B R E -S 343 0F 110 -67,-1.8 -67,-2.2 -2,-0.3 2,-0.3 -0.926 35.1-101.0-135.5 161.0 49.8 -12.0 64.0 411 179 B E E -S 342 0F 40 -2,-0.3 2,-0.5 -69,-0.2 -69,-0.3 -0.677 35.2-150.1 -77.0 139.1 50.6 -13.2 67.5 412 180 B A - 0 0 2 -71,-1.9 2,-0.3 -2,-0.3 -73,-0.0 -0.981 17.2-171.5-116.5 123.6 47.8 -12.1 69.9 413 181 B R > - 0 0 140 -2,-0.5 3,-1.5 1,-0.1 57,-0.2 -0.731 31.5 -94.1-114.4 159.2 48.9 -11.4 73.6 414 182 B A T 3 S+ 0 0 35 -2,-0.3 57,-0.2 1,-0.2 3,-0.1 -0.466 113.1 36.3 -65.6 142.4 47.2 -10.7 76.9 415 183 B G T 3 S+ 0 0 66 55,-2.6 -1,-0.2 1,-0.3 56,-0.1 0.062 87.0 134.9 94.8 -23.3 46.9 -7.0 77.4 416 184 B D < - 0 0 1 -3,-1.5 54,-2.0 -59,-0.1 2,-0.4 -0.272 38.3-161.6 -58.0 141.4 46.3 -6.3 73.7 417 185 B R E -MO 356 469E 16 -61,-1.9 -61,-3.2 52,-0.2 2,-0.3 -0.999 6.7-161.8-123.5 132.9 43.5 -3.9 72.8 418 186 B Y E -MO 355 468E 3 50,-3.0 50,-2.2 -2,-0.4 2,-0.4 -0.881 4.7-165.9-114.8 144.1 42.1 -4.0 69.2 419 187 B L E -MO 354 467E 2 -65,-2.0 -65,-2.6 -2,-0.3 2,-0.4 -0.999 5.7-176.0-128.6 127.2 40.1 -1.3 67.4 420 188 B L E +MO 353 466E 0 46,-2.2 46,-2.4 -2,-0.4 2,-0.3 -0.968 20.4 166.3-110.0 138.8 38.2 -1.7 64.2 421 189 B C E -MO 352 465E 0 -69,-2.1 -69,-2.8 -2,-0.4 44,-0.2 -0.995 34.0-124.2-148.9 151.7 36.6 1.5 62.8 422 190 B S >> - 0 0 0 42,-1.9 3,-2.1 -2,-0.3 4,-1.1 -0.444 44.9 -99.3 -81.6 167.5 35.0 2.8 59.7 423 191 B D H 3> S+ 0 0 10 1,-0.3 4,-2.2 2,-0.2 40,-0.1 0.602 115.1 83.4 -67.8 -9.8 36.4 5.9 58.1 424 192 B G H 34 S+ 0 0 2 38,-0.3 -1,-0.3 2,-0.2 37,-0.3 0.670 101.2 35.4 -62.9 -19.4 33.6 7.8 59.9 425 193 B L H <> S+ 0 0 0 -3,-2.1 4,-1.8 39,-0.2 -2,-0.2 0.844 121.4 42.2 -91.5 -55.3 35.9 7.8 62.9 426 194 B S H < S+ 0 0 13 -4,-1.1 -2,-0.2 2,-0.2 -3,-0.2 0.685 105.9 62.0 -77.2 -19.9 39.4 8.2 61.3 427 195 B D T < S+ 0 0 37 -4,-2.2 -1,-0.2 -5,-0.2 -3,-0.1 0.990 120.1 24.1 -65.3 -59.7 38.5 10.8 58.8 428 196 B P T 4 S+ 0 0 38 0, 0.0 2,-0.5 0, 0.0 -2,-0.2 0.663 120.6 63.1 -77.4 -15.0 37.4 13.4 61.4 429 197 B V S < S- 0 0 10 -4,-1.8 25,-0.1 4,-0.0 -4,-0.0 -0.952 74.8-136.7-124.7 123.0 39.5 12.1 64.4 430 198 B S > - 0 0 62 -2,-0.5 4,-2.4 1,-0.1 3,-0.2 -0.226 26.7-111.3 -71.3 159.4 43.4 11.8 64.5 431 199 B D H > S+ 0 0 65 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.766 117.1 59.6 -60.6 -26.7 45.3 8.8 65.9 432 200 B E H > S+ 0 0 166 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.937 109.0 41.3 -68.1 -47.6 46.4 10.9 68.8 433 201 B T H > S+ 0 0 45 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.899 113.7 53.9 -64.4 -42.2 42.8 11.5 70.0 434 202 B I H X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.910 105.1 54.6 -59.0 -43.0 41.9 7.9 69.2 435 203 B L H < S+ 0 0 46 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.886 105.9 52.1 -59.4 -42.1 44.8 6.7 71.4 436 204 B E H >< S+ 0 0 85 -4,-1.5 3,-1.3 1,-0.2 4,-0.3 0.899 109.0 49.2 -61.1 -44.0 43.5 8.7 74.4 437 205 B A H >< S+ 0 0 4 -4,-1.8 3,-0.9 1,-0.3 -1,-0.2 0.793 105.1 59.5 -67.7 -26.2 40.0 7.3 74.1 438 206 B L T 3< S+ 0 0 4 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.478 91.1 70.1 -81.0 -4.0 41.6 3.8 73.9 439 207 B Q T < S+ 0 0 111 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.2 0.637 70.7 109.9 -79.6 -19.0 43.1 4.4 77.4 440 208 B I S < S- 0 0 51 -3,-0.9 6,-0.2 -4,-0.3 5,-0.0 -0.450 72.5-136.2 -62.0 119.9 39.6 4.2 78.9 441 209 B P S S+ 0 0 109 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.808 82.4 65.6 -51.4 -43.8 39.6 0.9 80.9 442 210 B E S > S- 0 0 141 1,-0.1 4,-2.2 2,-0.0 3,-0.4 -0.721 74.7-142.2 -92.5 128.1 36.2 -0.5 79.9 443 211 B V H > S+ 0 0 19 -2,-0.5 4,-2.5 1,-0.2 5,-0.2 0.847 99.5 53.3 -55.1 -38.2 35.8 -1.4 76.2 444 212 B A H > S+ 0 0 34 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.861 111.0 44.2 -69.1 -38.9 32.2 -0.2 76.1 445 213 B E H > S+ 0 0 47 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.851 113.1 53.2 -71.1 -35.5 33.0 3.3 77.5 446 214 B S H X S+ 0 0 0 -4,-2.2 4,-2.1 -6,-0.2 -2,-0.2 0.940 111.3 45.4 -61.9 -48.0 36.0 3.5 75.2 447 215 B A H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.923 111.8 51.8 -62.1 -45.3 33.8 2.7 72.2 448 216 B H H X S+ 0 0 125 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.885 109.5 51.0 -58.2 -40.1 31.1 5.1 73.3 449 217 B R H X S+ 0 0 104 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.877 105.9 54.0 -66.7 -40.5 33.8 7.8 73.6 450 218 B L H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.914 109.2 48.7 -61.3 -42.6 35.1 7.2 70.1 451 219 B I H X S+ 0 0 14 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.890 110.5 52.0 -60.6 -41.2 31.6 7.7 68.7 452 220 B E H X S+ 0 0 32 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.865 107.6 51.5 -66.3 -36.3 31.3 10.9 70.7 453 221 B L H X S+ 0 0 6 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.850 107.3 53.2 -70.2 -35.0 34.6 12.2 69.3 454 222 B A H <>S+ 0 0 0 -4,-1.7 5,-2.0 2,-0.2 3,-0.3 0.939 111.9 44.3 -62.4 -48.1 33.5 11.6 65.8 455 223 B L H ><5S+ 0 0 48 -4,-1.9 3,-1.2 1,-0.2 -2,-0.2 0.802 108.5 58.3 -68.4 -30.8 30.2 13.6 66.3 456 224 B R H 3<5S+ 0 0 174 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.831 103.5 54.2 -64.5 -33.8 32.2 16.3 68.1 457 225 B G T 3<5S- 0 0 48 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.251 139.1 -77.8 -86.9 11.2 34.3 16.7 64.9 458 226 B G T < 5 - 0 0 39 -3,-1.2 -3,-0.2 1,-0.1 -208,-0.2 -0.009 46.4-123.3 122.0 -27.5 31.2 17.2 62.8 459 227 B G < + 0 0 1 -5,-2.0 -209,-0.9 -6,-0.2 -208,-0.9 0.914 46.3 166.3 52.3 50.1 29.8 13.7 62.4 460 228 B P + 0 0 57 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.659 58.3 23.8 -71.2 -14.0 30.0 13.9 58.6 461 229 B D S S- 0 0 12 -37,-0.3 -211,-0.2 -210,-0.1 2,-0.1 -0.869 97.0 -75.0-141.7 164.0 29.6 10.2 58.0 462 230 B N - 0 0 4 -2,-0.3 2,-0.4 -208,-0.1 -38,-0.3 -0.485 52.4-155.9 -54.0 138.4 28.2 7.0 59.5 463 231 B V E +L 247 0E 0 -216,-2.4 -216,-2.5 -39,-0.1 2,-0.3 -0.991 17.6 172.8-129.4 134.7 30.7 5.9 62.3 464 232 B T E +L 246 0E 0 -2,-0.4 -42,-1.9 -218,-0.2 2,-0.3 -0.997 3.0 178.3-141.6 140.8 31.2 2.4 63.6 465 233 B V E -LO 245 421E 0 -220,-2.8 -220,-2.4 -2,-0.3 2,-0.4 -0.983 17.1-162.7-142.4 150.8 33.8 1.0 66.0 466 234 B V E -LO 244 420E 0 -46,-2.4 -46,-2.2 -2,-0.3 2,-0.4 -0.986 12.0-172.8-128.8 124.2 34.7 -2.2 67.8 467 235 B V E +LO 243 419E 0 -224,-2.3 -224,-1.8 -2,-0.4 2,-0.3 -0.983 12.8 172.2-114.4 132.6 37.0 -2.1 70.8 468 236 B A E -LO 242 418E 0 -50,-2.2 -50,-3.0 -2,-0.4 2,-0.3 -0.995 16.9-158.2-143.7 144.1 38.2 -5.4 72.2 469 237 B D E -LO 241 417E 22 -228,-2.7 -228,-2.3 -2,-0.3 2,-0.5 -0.930 13.1-140.5-118.9 146.1 40.7 -6.7 74.8 470 238 B L E -L 240 0E 8 -54,-2.0 -55,-2.6 -2,-0.3 2,-0.3 -0.925 27.7-176.5-100.1 129.9 42.5 -10.0 75.3 471 239 B E E L 239 0E 92 -232,-2.2 -232,-2.1 -2,-0.5 -57,-0.0 -0.898 360.0 360.0-126.0 154.2 42.7 -11.0 79.0 472 240 B H 0 0 181 -2,-0.3 -234,-0.1 -234,-0.2 -1,-0.1 -0.088 360.0 360.0 -69.9 360.0 44.4 -14.0 80.8