==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE, SIGNALING PROTEIN 27-FEB-09 3GG0 . COMPND 2 MOLECULE: KLEBSIELLA PNEUMONIAE BLRP1; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE SUBSP. PNEUMONIA . AUTHOR T.BARENDS,E.HARTMANN,J.GRIESE,T.BEITLICH,N.KIRIENKO,D.RYJENK . 786 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33050.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 572 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 98 12.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 1 0.1 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 . 52 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 221 28.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.5 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 5 2 0 4 0 3 1 2 4 1 2 1 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 4 7 2 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 . 5 2 2 1 0 1 2 0 4 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 . 2 0 0 0 1 1 0 0 2 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 1 A M 0 0 120 0, 0.0 54,-0.7 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 111.8 -33.8 32.7 -16.7 2 2 A L E -A 54 0A 36 80,-0.4 80,-2.4 52,-0.2 2,-0.3 -0.510 360.0-174.0 -79.0 145.3 -31.7 31.6 -19.7 3 3 A T E -AB 53 81A 8 50,-2.0 50,-1.9 78,-0.3 2,-0.5 -0.970 16.9-143.2-142.8 147.4 -30.7 28.0 -20.0 4 4 A T E -AB 52 80A 1 76,-3.3 76,-1.9 -2,-0.3 2,-0.4 -0.970 13.6-174.2-118.2 126.6 -28.5 25.8 -22.2 5 5 A L E -AB 51 79A 0 46,-2.8 46,-2.8 -2,-0.5 2,-0.4 -0.976 4.3-179.9-117.7 131.9 -29.2 22.2 -23.2 6 6 A I E +AB 50 78A 0 72,-2.5 71,-3.1 -2,-0.4 72,-1.6 -0.996 8.1 160.6-130.1 133.5 -26.8 20.0 -25.2 7 7 A Y E -AB 49 76A 7 42,-1.7 42,-2.1 -2,-0.4 2,-0.3 -0.958 24.8-143.6-140.1 163.4 -27.3 16.4 -26.4 8 8 A R E +AB 48 75A 29 67,-2.1 67,-2.9 -2,-0.3 2,-0.3 -0.953 23.1 170.1-123.0 151.4 -26.0 13.9 -28.9 9 9 A S E -A 47 0A 1 38,-1.8 38,-2.8 -2,-0.3 2,-0.3 -0.921 23.3-120.1-147.9 173.9 -28.0 11.3 -30.8 10 10 A Q E -AB 46 72A 8 62,-2.8 62,-2.4 -2,-0.3 36,-0.3 -0.892 18.6-121.8-120.9 151.3 -27.6 8.7 -33.6 11 11 A V - 0 0 27 34,-2.7 60,-0.2 -2,-0.3 59,-0.1 -0.464 35.7-104.8 -75.3 156.8 -29.4 8.2 -36.9 12 12 A H > - 0 0 32 58,-0.5 3,-1.2 4,-0.1 -1,-0.1 -0.821 37.0-159.3 -80.1 110.1 -31.1 4.9 -37.7 13 13 A P T 3 S+ 0 0 64 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.638 83.0 46.5 -77.6 -18.9 -28.4 3.5 -40.1 14 14 A D T 3 S+ 0 0 131 2,-0.1 -2,-0.0 -3,-0.0 -3,-0.0 0.275 100.1 85.7-104.6 8.6 -30.5 0.9 -42.0 15 15 A R S < S- 0 0 136 -3,-1.2 3,-0.1 1,-0.1 -4,-0.0 -0.697 93.9 -79.8-106.0 159.7 -33.5 3.3 -42.6 16 16 A P - 0 0 113 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 -0.270 61.4 -92.3 -55.4 142.7 -34.0 5.9 -45.4 17 17 A P - 0 0 128 0, 0.0 2,-0.3 0, 0.0 -3,-0.0 -0.274 39.4-115.9 -62.0 141.4 -32.1 9.2 -44.8 18 18 A V - 0 0 47 52,-0.1 2,-1.2 -3,-0.1 3,-0.1 -0.624 22.5-119.1 -79.0 132.8 -33.9 12.0 -43.0 19 19 A D > + 0 0 107 -2,-0.3 4,-1.5 1,-0.2 -1,-0.1 -0.622 38.6 176.8 -70.6 97.1 -34.5 15.2 -45.0 20 20 A L H > S+ 0 0 25 -2,-1.2 4,-3.2 2,-0.2 5,-0.3 0.776 70.6 62.9 -82.6 -29.4 -32.5 17.5 -42.7 21 21 A D H > S+ 0 0 130 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.912 109.8 42.9 -58.1 -42.7 -32.9 20.7 -44.8 22 22 A A H > S+ 0 0 49 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.889 114.3 51.5 -68.4 -41.7 -36.6 20.4 -44.1 23 23 A L H X S+ 0 0 37 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.928 113.1 43.7 -59.6 -48.1 -36.0 19.5 -40.4 24 24 A V H X S+ 0 0 15 -4,-3.2 4,-3.0 2,-0.2 5,-0.2 0.890 114.5 47.4 -71.7 -41.1 -33.7 22.4 -39.8 25 25 A H H X S+ 0 0 135 -4,-1.9 4,-2.3 -5,-0.3 -1,-0.2 0.924 114.3 47.1 -65.4 -46.1 -35.8 25.0 -41.6 26 26 A R H X S+ 0 0 198 -4,-2.2 4,-1.4 -5,-0.2 -2,-0.2 0.860 114.8 49.1 -60.8 -36.5 -39.0 23.9 -39.8 27 27 A A H X S+ 0 0 19 -4,-1.9 4,-3.0 -5,-0.2 -2,-0.2 0.923 110.5 48.0 -69.3 -46.5 -37.0 23.9 -36.5 28 28 A S H X S+ 0 0 36 -4,-3.0 4,-1.6 1,-0.2 -2,-0.2 0.882 111.5 51.9 -63.4 -38.0 -35.6 27.4 -37.0 29 29 A S H < S+ 0 0 79 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.851 116.8 39.2 -65.0 -35.4 -39.0 28.6 -37.9 30 30 A K H X S+ 0 0 103 -4,-1.4 4,-0.8 -5,-0.2 -2,-0.2 0.839 113.4 54.3 -84.8 -34.5 -40.5 27.1 -34.7 31 31 A N H <>S+ 0 0 6 -4,-3.0 5,-2.9 1,-0.2 3,-0.3 0.901 99.0 57.9 -68.8 -45.5 -37.6 27.9 -32.3 32 32 A L T ><5S+ 0 0 88 -4,-1.6 3,-1.6 1,-0.2 -1,-0.2 0.869 103.3 48.8 -64.6 -44.6 -37.2 31.7 -32.8 33 33 A P T 345S+ 0 0 110 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.868 112.5 51.9 -60.5 -33.0 -40.8 32.9 -31.8 34 34 A L T 3<5S- 0 0 107 -4,-0.8 -2,-0.2 -3,-0.3 3,-0.1 0.297 122.4-108.8 -85.5 9.2 -40.5 30.7 -28.7 35 35 A G T < 5S+ 0 0 28 -3,-1.6 2,-0.5 1,-0.2 -3,-0.2 0.863 73.4 139.9 64.8 37.0 -37.2 32.3 -27.8 36 36 A I < + 0 0 2 -5,-2.9 2,-0.3 17,-0.1 -1,-0.2 -0.950 21.9 167.4-112.8 131.0 -35.2 29.1 -28.7 37 37 A T B +C 52 0A 5 15,-1.9 15,-2.6 -2,-0.5 2,-0.3 -0.833 14.6 97.8-129.8 172.3 -31.8 29.3 -30.5 38 38 A G - 0 0 0 52,-2.5 2,-0.3 49,-0.4 55,-0.2 -0.886 50.5 -84.7 144.2-168.2 -28.9 27.1 -31.3 39 39 A I - 0 0 0 11,-0.5 11,-2.3 -2,-0.3 2,-0.4 -0.904 17.9-136.8-136.0 159.9 -27.2 24.8 -33.8 40 40 A L E -De 49 94A 5 53,-3.0 55,-2.5 -2,-0.3 2,-0.5 -0.962 13.7-159.2-118.2 136.3 -27.2 21.3 -35.1 41 41 A L E -De 48 95A 0 7,-2.4 7,-1.3 -2,-0.4 2,-0.4 -0.972 9.6-176.1-117.9 125.2 -24.1 19.2 -35.9 42 42 A F E +De 47 96A 19 53,-2.6 55,-2.8 -2,-0.5 56,-0.5 -0.967 16.5 171.3-122.5 134.0 -24.3 16.2 -38.2 43 43 A N - 0 0 37 3,-1.6 4,-0.1 -2,-0.4 -1,-0.1 0.319 65.4 -90.6-120.4 3.8 -21.4 13.9 -39.0 44 44 A G S S+ 0 0 19 2,-0.4 3,-0.1 1,-0.0 -2,-0.0 -0.150 120.8 33.7 113.4 -36.4 -23.2 11.2 -41.0 45 45 A L S S+ 0 0 96 1,-0.2 -34,-2.7 -35,-0.1 2,-0.3 0.600 115.9 44.6-119.7 -25.0 -24.1 8.9 -38.1 46 46 A Q E -A 10 0A 8 -36,-0.3 -3,-1.6 25,-0.1 -2,-0.4 -0.935 59.3-145.0-133.5 146.8 -24.7 11.3 -35.2 47 47 A F E -AD 9 42A 9 -38,-2.8 -38,-1.8 -2,-0.3 2,-0.3 -0.757 9.0-169.9-101.6 156.9 -26.4 14.5 -34.3 48 48 A F E -AD 8 41A 3 -7,-1.3 -7,-2.4 -2,-0.3 2,-0.4 -0.897 13.0-175.1-146.4 114.4 -25.2 17.1 -31.8 49 49 A Q E -AD 7 40A 11 -42,-2.1 -42,-1.7 -2,-0.3 2,-0.4 -0.929 16.0-161.0-122.8 135.2 -27.5 19.9 -30.8 50 50 A V E -A 6 0A 0 -11,-2.3 -11,-0.5 -2,-0.4 2,-0.4 -0.928 14.6-169.7-108.6 134.2 -27.2 23.0 -28.7 51 51 A L E -A 5 0A 0 -46,-2.8 -46,-2.8 -2,-0.4 2,-0.4 -0.990 5.5-171.3-128.8 132.9 -30.4 24.6 -27.4 52 52 A E E +AC 4 37A 0 -15,-2.6 -15,-1.9 -2,-0.4 2,-0.3 -0.974 36.6 84.7-124.5 138.2 -30.8 28.0 -25.7 53 53 A G E S-A 3 0A 0 -50,-1.9 -50,-2.0 -2,-0.4 -17,-0.1 -0.947 76.9 -35.3 161.0-177.0 -33.9 29.3 -24.0 54 54 A T E > -A 2 0A 63 -2,-0.3 4,-2.0 -19,-0.2 5,-0.2 -0.267 58.4-110.4 -66.1 157.6 -35.8 29.3 -20.8 55 55 A E H > S+ 0 0 73 -54,-0.7 4,-1.8 1,-0.2 5,-0.1 0.871 119.2 49.3 -54.2 -38.2 -35.9 26.2 -18.6 56 56 A E H > S+ 0 0 124 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.843 109.7 48.4 -76.4 -36.1 -39.5 25.7 -19.5 57 57 A A H > S+ 0 0 25 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.827 113.9 47.3 -73.2 -32.4 -39.2 26.1 -23.3 58 58 A L H X S+ 0 0 2 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.855 109.1 53.3 -78.7 -36.4 -36.3 23.7 -23.5 59 59 A E H X S+ 0 0 99 -4,-1.8 4,-1.6 -5,-0.2 -2,-0.2 0.953 111.0 46.1 -60.6 -50.3 -38.0 21.0 -21.4 60 60 A S H X S+ 0 0 81 -4,-1.7 4,-1.0 1,-0.2 -1,-0.2 0.815 116.0 46.3 -63.9 -33.1 -41.1 21.0 -23.6 61 61 A L H X S+ 0 0 22 -4,-1.2 4,-2.3 2,-0.2 -1,-0.2 0.879 109.3 53.1 -75.7 -40.1 -38.9 20.9 -26.8 62 62 A F H X S+ 0 0 6 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.776 103.0 58.1 -70.7 -27.6 -36.6 18.2 -25.6 63 63 A S H X S+ 0 0 59 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.916 109.7 44.6 -65.3 -43.9 -39.5 15.9 -24.7 64 64 A E H < S+ 0 0 109 -4,-1.0 4,-0.3 2,-0.2 -2,-0.2 0.912 115.1 48.6 -62.2 -44.0 -40.6 16.2 -28.4 65 65 A I H >< S+ 0 0 22 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.887 108.1 54.4 -66.1 -39.6 -37.0 15.7 -29.5 66 66 A Q H 3< S+ 0 0 87 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.863 111.7 44.3 -59.3 -39.3 -36.5 12.6 -27.2 67 67 A S T 3< S+ 0 0 102 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.355 83.0 121.2 -93.9 5.0 -39.6 10.8 -28.7 68 68 A D X - 0 0 36 -3,-1.0 3,-1.3 -4,-0.3 -3,-0.0 -0.603 54.1-152.6 -73.9 119.8 -38.7 11.7 -32.3 69 69 A P T 3 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -57,-0.1 0.596 83.8 82.4 -67.4 -14.0 -38.3 8.4 -34.2 70 70 A R T 3 S+ 0 0 112 -59,-0.1 -58,-0.5 2,-0.0 2,-0.3 0.615 103.5 22.0 -73.7 -12.7 -35.9 10.0 -36.7 71 71 A H < - 0 0 19 -3,-1.3 2,-0.3 -60,-0.2 -60,-0.2 -0.936 68.0-160.9-141.8 172.6 -33.1 9.5 -34.2 72 72 A R E +B 10 0A 41 -62,-2.4 -62,-2.8 -2,-0.3 -5,-0.0 -0.883 60.7 46.9-142.5 173.8 -32.2 7.2 -31.3 73 73 A D E - 0 0 32 -2,-0.3 2,-0.6 -64,-0.2 -1,-0.1 0.911 65.0-167.2 57.0 49.4 -29.8 7.0 -28.3 74 74 A V E - 0 0 17 -8,-0.2 2,-0.5 -65,-0.1 -65,-0.2 -0.579 6.3-174.4 -71.7 115.5 -30.5 10.6 -27.1 75 75 A V E -B 8 0A 1 -67,-2.9 -67,-2.1 -2,-0.6 2,-0.2 -0.950 17.6-140.0-121.7 114.3 -27.8 11.4 -24.5 76 76 A E E +Bf 7 329A 48 252,-2.4 254,-3.4 -2,-0.5 255,-0.5 -0.510 22.7 173.9 -73.8 134.9 -27.8 14.6 -22.6 77 77 A L E + 0 0 9 -71,-3.1 2,-0.3 1,-0.3 -70,-0.2 0.696 64.5 13.9-111.1 -33.2 -24.4 16.2 -22.1 78 78 A M E +B 6 0A 15 -72,-1.6 -72,-2.5 252,-0.0 -1,-0.3 -0.970 46.9 169.8-152.1 128.2 -25.2 19.5 -20.4 79 79 A R E +B 5 0A 95 -2,-0.3 2,-0.3 -74,-0.2 -74,-0.2 -0.907 34.9 132.8-135.0 112.6 -28.1 21.2 -18.8 80 80 A D E -B 4 0A 25 -76,-1.9 -76,-3.3 -2,-0.3 2,-0.1 -0.989 56.7 -90.8-155.4 158.1 -27.2 24.5 -17.1 81 81 A Y E -B 3 0A 69 -2,-0.3 2,-0.3 -78,-0.2 -78,-0.3 -0.402 45.3-145.7 -69.5 151.3 -28.1 28.1 -16.5 82 82 A S - 0 0 9 -80,-2.4 -80,-0.4 1,-0.1 3,-0.1 -0.917 22.1-151.9-129.6 149.9 -26.5 30.6 -18.9 83 83 A A S S- 0 0 42 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.832 82.0 -3.3 -84.5 -37.0 -25.2 34.1 -18.8 84 84 A Y S S- 0 0 94 30,-0.0 2,-0.4 602,-0.0 -1,-0.3 -0.982 77.6 -91.7-153.5 158.1 -25.8 35.0 -22.5 85 85 A R - 0 0 51 -2,-0.3 3,-0.4 1,-0.1 -81,-0.0 -0.631 25.4-167.2 -73.9 128.5 -27.1 33.5 -25.8 86 86 A R S S+ 0 0 32 -2,-0.4 28,-3.4 1,-0.2 -1,-0.1 0.619 88.3 40.6 -88.6 -16.1 -24.2 32.1 -27.9 87 87 A F S > S+ 0 0 2 26,-0.3 3,-2.1 27,-0.1 -49,-0.4 -0.289 76.8 174.6-129.9 48.7 -26.4 31.8 -31.0 88 88 A H T 3 S+ 0 0 128 -3,-0.4 3,-0.1 1,-0.3 -51,-0.0 -0.359 73.8 17.1 -58.1 123.2 -28.4 35.0 -30.9 89 89 A G T 3 S+ 0 0 59 -2,-0.1 2,-0.6 1,-0.1 -1,-0.3 0.460 100.7 106.2 93.1 3.0 -30.5 35.3 -34.1 90 90 A T < + 0 0 16 -3,-2.1 -52,-2.5 1,-0.2 3,-0.2 -0.809 38.6 175.8-120.9 89.0 -30.2 31.6 -35.0 91 91 A G S S- 0 0 0 -2,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.962 78.1 -25.2 -51.3 -57.3 -33.3 29.6 -34.3 92 92 A M + 0 0 8 -3,-0.1 2,-0.3 -55,-0.1 -1,-0.3 -0.961 65.4 173.9-157.7 149.2 -31.7 26.5 -35.8 93 93 A R - 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0 0 13 1,-0.1 -4,-2.1 -5,-0.1 -1,-0.2 -0.118 53.8 -73.6 -77.3 173.8 3.9 37.4 3.8 588 198 B S > - 0 0 44 -6,-0.2 4,-2.0 1,-0.1 3,-0.3 -0.061 42.2-102.9 -67.5 160.7 1.8 34.3 2.9 589 199 B P H > S+ 0 0 45 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.843 121.6 59.8 -42.6 -43.6 -2.1 34.1 2.9 590 200 B V H > S+ 0 0 113 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.947 106.3 44.6 -55.6 -52.4 -1.9 32.2 6.2 591 201 B E H > S+ 0 0 108 -3,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.865 113.5 52.9 -60.2 -39.2 -0.2 35.2 7.9 592 202 B M H >X S+ 0 0 7 -4,-2.0 3,-1.2 1,-0.2 4,-0.6 0.978 113.0 40.3 -60.0 -58.2 -2.7 37.6 6.2 593 203 B F H >< S+ 0 0 42 -4,-2.9 3,-0.5 1,-0.3 -2,-0.2 0.780 109.3 62.0 -66.0 -26.3 -5.8 35.7 7.4 594 204 B A H 3< S+ 0 0 67 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.746 101.4 53.1 -68.2 -24.7 -4.2 35.2 10.8 595 205 B A H << S+ 0 0 79 -3,-1.2 2,-0.4 -4,-0.9 -1,-0.2 0.615 98.0 80.2 -84.8 -16.0 -4.1 38.9 11.3 596 206 B I S << S- 0 0 33 -4,-0.6 5,-0.1 -3,-0.5 0, 0.0 -0.770 93.6-105.4 -93.8 136.8 -7.8 39.2 10.5 597 207 B A >> - 0 0 48 -2,-0.4 3,-1.3 1,-0.1 4,-0.6 -0.262 25.8-122.3 -56.6 145.3 -10.3 38.4 13.3 598 208 B A G >4 S+ 0 0 74 1,-0.3 3,-0.7 2,-0.2 4,-0.4 0.854 113.0 54.4 -62.0 -35.9 -12.1 35.0 12.9 599 209 B E G 34 S+ 0 0 166 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.667 114.8 42.1 -68.4 -16.0 -15.5 36.7 12.8 600 210 B D G <> S+ 0 0 46 -3,-1.3 4,-2.4 2,-0.1 -1,-0.2 0.386 84.9 96.4-114.2 -0.1 -14.3 38.9 10.0 601 211 B R H S+ 0 0 109 -4,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.927 114.2 45.5 -58.6 -48.1 -15.1 35.7 5.2 603 213 B R H > S+ 0 0 118 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.917 113.8 49.5 -63.8 -43.3 -15.9 39.3 4.6 604 214 B F H X S+ 0 0 33 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.903 107.1 55.8 -59.7 -43.2 -12.2 40.2 4.4 605 215 B D H < S+ 0 0 7 -4,-2.7 4,-0.4 1,-0.2 -1,-0.2 0.905 114.1 39.2 -58.1 -44.0 -11.7 37.3 1.9 606 216 B L H >< S+ 0 0 0 -4,-1.9 3,-0.9 1,-0.2 -2,-0.2 0.915 117.5 47.8 -71.9 -43.8 -14.4 38.7 -0.4 607 217 B E H >< S+ 0 0 73 -4,-2.7 3,-0.8 1,-0.2 4,-0.3 0.634 99.5 67.5 -78.3 -14.5 -13.5 42.4 0.0 608 218 B S T >X S+ 0 0 2 -4,-1.9 3,-1.6 1,-0.2 4,-0.8 0.777 84.8 74.3 -69.4 -25.9 -9.8 41.8 -0.5 609 219 B K H <> S+ 0 0 5 -3,-0.9 4,-2.5 -4,-0.4 -1,-0.2 0.641 78.3 72.8 -69.7 -16.0 -10.6 40.9 -4.2 610 220 B A H <> S+ 0 0 29 -3,-0.8 4,-2.1 2,-0.2 -1,-0.3 0.857 98.1 49.2 -61.2 -35.6 -11.2 44.6 -5.0 611 221 B Y H <> S+ 0 0 88 -3,-1.6 4,-1.4 -4,-0.3 -1,-0.2 0.799 110.5 49.8 -75.4 -29.7 -7.4 45.1 -4.7 612 222 B A H X S+ 0 0 2 -4,-0.8 4,-2.0 2,-0.2 -2,-0.2 0.878 112.2 48.0 -71.1 -39.9 -6.9 42.1 -7.0 613 223 B F H X S+ 0 0 1 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.868 111.2 50.1 -68.1 -38.8 -9.4 43.5 -9.5 614 224 B A H X S+ 0 0 43 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.843 109.2 53.4 -67.9 -34.4 -7.7 46.9 -9.4 615 225 B L H X S+ 0 0 14 -4,-1.4 4,-0.8 2,-0.2 3,-0.3 0.940 110.1 45.0 -63.9 -49.0 -4.3 45.3 -10.0 616 226 B A H < S+ 0 0 12 -4,-2.0 5,-0.2 1,-0.2 -1,-0.2 0.758 110.4 55.8 -70.2 -25.9 -5.4 43.4 -13.1 617 227 B G H < S+ 0 0 29 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.806 107.4 48.7 -73.4 -31.9 -7.2 46.6 -14.4 618 228 B Q H < S+ 0 0 154 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.635 108.1 72.4 -78.8 -17.0 -3.9 48.5 -14.1 619 229 B L S < S- 0 0 38 -4,-0.8 2,-1.7 -5,-0.1 161,-0.0 -0.584 105.7 -86.0 -96.6 158.2 -2.1 45.6 -15.9 620 230 B P - 0 0 99 0, 0.0 2,-1.6 0, 0.0 -3,-0.1 -0.499 43.1-175.6 -58.6 86.1 -2.3 44.6 -19.6 621 231 B L > + 0 0 61 -2,-1.7 2,-2.4 -5,-0.2 3,-0.5 -0.238 11.3 178.4 -77.5 48.0 -5.4 42.4 -19.3 622 232 B G T 3 S- 0 0 49 -2,-1.6 3,-0.1 1,-0.3 -1,-0.1 -0.257 70.7 -55.9 -63.8 76.7 -4.8 41.5 -23.0 623 233 B K T 3 S+ 0 0 203 -2,-2.4 2,-0.3 1,-0.2 -1,-0.3 0.896 104.3 137.1 48.5 44.9 -7.7 39.1 -23.3 624 234 B H < - 0 0 57 -3,-0.5 2,-0.2 -48,-0.0 -1,-0.2 -0.845 53.2-116.1-112.3 157.8 -6.4 37.0 -20.4 625 235 B Q E -b 576 0H 12 -50,-1.1 -48,-2.3 -2,-0.3 2,-0.6 -0.628 16.8-140.9 -92.4 148.9 -8.4 35.5 -17.6 626 236 B L E -bc 577 659H 10 32,-3.5 34,-2.8 -2,-0.2 2,-0.4 -0.954 13.8-162.0-110.6 119.7 -8.1 36.4 -14.0 627 237 B A E -bc 578 660H 0 -50,-3.8 -48,-3.3 -2,-0.6 2,-0.3 -0.832 10.1-178.4 -97.8 135.1 -8.4 33.7 -11.4 628 238 B I E -bc 579 661H 0 32,-2.3 34,-3.3 -2,-0.4 2,-0.5 -0.982 22.6-125.1-133.0 147.8 -9.1 34.5 -7.7 629 239 B N E + c 0 662H 41 -50,-0.7 2,-0.4 -2,-0.3 34,-0.2 -0.788 30.9 171.9 -97.3 126.9 -9.4 32.2 -4.6 630 240 B L - 0 0 5 32,-2.6 34,-0.3 -2,-0.5 -28,-0.0 -0.993 29.5-128.3-132.6 139.8 -12.4 32.2 -2.4 631 241 B L > - 0 0 62 -2,-0.4 4,-0.9 32,-0.1 3,-0.3 -0.546 28.9-120.1 -70.6 147.1 -13.6 30.1 0.5 632 242 B P H >> S+ 0 0 9 0, 0.0 4,-2.6 0, 0.0 3,-1.1 0.927 115.2 54.9 -50.6 -46.9 -17.2 28.8 0.1 633 243 B G H 3> S+ 0 0 8 1,-0.3 4,-3.0 2,-0.2 5,-0.1 0.821 98.7 61.6 -59.2 -35.1 -18.1 30.7 3.3 634 244 B S H 34 S+ 0 0 2 -3,-0.3 -1,-0.3 1,-0.2 -28,-0.1 0.796 115.2 33.5 -62.1 -30.9 -16.9 34.0 1.9 635 245 B L H X< S+ 0 0 4 -3,-1.1 3,-0.5 -4,-0.9 6,-0.5 0.791 121.9 48.4 -90.3 -34.4 -19.5 33.7 -0.9 636 246 B Y H 3< S+ 0 0 89 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.902 108.7 48.9 -76.0 -43.5 -22.2 31.9 1.2 637 247 B H T 3< S+ 0 0 118 -4,-3.0 -1,-0.2 -5,-0.2 -3,-0.1 0.191 91.7 95.3 -92.1 16.7 -22.2 34.2 4.3 638 248 B H S < S- 0 0 39 -3,-0.5 3,-0.5 1,-0.1 4,-0.1 -0.822 80.6-123.7-102.0 145.6 -22.5 37.5 2.4 639 249 B P S S- 0 0 125 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.955 102.5 -10.6 -46.1 -59.1 -25.8 39.2 1.7 640 250 B D S > S+ 0 0 97 1,-0.1 4,-2.2 -3,-0.1 5,-0.1 -0.602 72.9 167.5-145.9 80.9 -25.1 39.2 -2.1 641 251 B A H > S+ 0 0 3 -6,-0.5 4,-2.9 -3,-0.5 5,-0.2 0.886 79.6 52.8 -62.8 -42.8 -21.5 38.2 -2.8 642 252 B V H > S+ 0 0 12 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.924 110.6 48.0 -60.9 -45.7 -22.0 37.7 -6.5 643 253 B G H > S+ 0 0 16 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.892 111.6 50.3 -59.3 -42.7 -23.5 41.2 -6.8 644 254 B W H X S+ 0 0 74 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.929 112.5 45.8 -63.0 -46.6 -20.6 42.6 -4.8 645 255 B L H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 5,-0.3 0.875 112.1 53.1 -61.6 -39.1 -18.0 40.9 -7.0 646 256 B M H X S+ 0 0 32 -4,-2.5 4,-1.9 -5,-0.2 5,-0.2 0.935 111.2 45.4 -60.7 -47.2 -20.0 42.1 -10.0 647 257 B D H X S+ 0 0 122 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.867 116.0 47.1 -63.7 -37.1 -19.9 45.7 -8.8 648 258 B S H X S+ 0 0 22 -4,-2.2 4,-0.6 2,-0.2 -2,-0.2 0.855 114.1 43.4 -78.3 -37.7 -16.2 45.4 -8.0 649 259 B L H <>S+ 0 0 0 -4,-2.5 5,-1.6 2,-0.2 -2,-0.2 0.819 113.4 51.4 -79.6 -31.8 -15.0 43.8 -11.2 650 260 B L H ><5S+ 0 0 98 -4,-1.9 3,-1.3 -5,-0.3 -2,-0.2 0.887 107.7 53.4 -69.7 -38.3 -17.1 46.1 -13.5 651 261 B A H 3<5S+ 0 0 89 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.753 104.8 56.6 -65.4 -25.0 -15.7 49.2 -11.7 652 262 B A T 3<5S- 0 0 26 -4,-0.6 -1,-0.3 -5,-0.1 -2,-0.2 0.282 123.6 -99.1 -95.0 9.9 -12.2 48.0 -12.4 653 263 B G T < 5S+ 0 0 55 -3,-1.3 2,-0.3 1,-0.3 -3,-0.2 0.883 79.9 131.0 76.7 40.9 -12.6 47.7 -16.2 654 264 B L < - 0 0 10 -5,-1.6 -1,-0.3 -4,-0.1 -2,-0.1 -0.866 53.8-125.8-122.3 155.9 -13.2 44.0 -16.3 655 265 B R > - 0 0 161 -2,-0.3 3,-1.6 1,-0.1 4,-0.5 -0.788 24.3-122.5 -95.0 145.1 -15.7 41.7 -18.0 656 266 B P G > S+ 0 0 23 0, 0.0 3,-1.1 0, 0.0 32,-0.4 0.851 113.7 54.9 -47.7 -40.7 -17.7 39.1 -16.0 657 267 B D G 3 S+ 0 0 62 1,-0.3 29,-0.1 30,-0.2 30,-0.1 0.606 97.4 63.9 -77.1 -11.7 -16.3 36.3 -18.2 658 268 B Q G < S+ 0 0 29 -3,-1.6 -32,-3.5 -33,-0.1 2,-0.5 0.632 91.5 80.7 -81.0 -15.6 -12.7 37.4 -17.5 659 269 B V E < -c 626 0H 0 -3,-1.1 29,-2.7 -4,-0.5 2,-0.4 -0.822 58.1-175.2-102.4 127.0 -13.2 36.5 -13.9 660 270 B L E -cd 627 688H 2 -34,-2.8 -32,-2.3 -2,-0.5 2,-0.5 -0.981 15.3-144.2-120.9 129.4 -12.9 32.9 -12.6 661 271 B I E -cd 628 689H 0 27,-3.1 29,-3.1 -2,-0.4 2,-0.6 -0.803 10.7-152.5 -93.4 126.8 -13.6 31.9 -9.0 662 272 B E E -cd 629 690H 2 -34,-3.3 -32,-2.6 -2,-0.5 2,-0.4 -0.876 14.2-178.9 -99.0 123.9 -11.4 29.1 -7.6 663 273 B V E - d 0 691H 0 27,-2.4 29,-2.8 -2,-0.6 -32,-0.1 -0.983 31.9-111.5-120.5 135.3 -12.9 27.0 -4.8 664 274 B T E > - d 0 692H 28 -2,-0.4 4,-0.5 -34,-0.3 3,-0.3 -0.391 21.9-129.5 -67.8 140.2 -11.0 24.2 -3.1 665 275 B E H >> S+ 0 0 0 27,-2.4 4,-1.4 1,-0.2 3,-1.0 0.862 102.6 49.2 -59.5 -45.8 -12.3 20.7 -3.8 666 276 B T H 3> S+ 0 0 36 1,-0.2 4,-0.9 27,-0.2 -1,-0.2 0.858 109.0 52.3 -64.4 -37.4 -12.5 19.4 -0.1 667 277 B E H 34 S+ 0 0 86 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.512 109.3 50.8 -83.0 -3.7 -14.4 22.5 1.1 668 278 B V H XX S+ 0 0 0 -3,-1.0 4,-1.0 -4,-0.5 3,-1.0 0.803 98.9 60.5 -98.8 -38.0 -17.1 22.2 -1.6 669 279 B I H 3< S+ 0 0 11 -4,-1.4 2,-0.5 1,-0.3 3,-0.4 0.877 108.3 43.3 -64.3 -41.7 -18.1 18.5 -1.3 670 280 B T T 3< S+ 0 0 92 -4,-0.9 -1,-0.3 1,-0.2 -4,-0.0 -0.345 123.3 39.9 -96.2 51.9 -19.3 18.8 2.3 671 281 B C T X> S+ 0 0 18 -3,-1.0 4,-1.3 -2,-0.5 3,-0.7 0.275 81.1 112.5-168.1 -15.9 -21.0 22.1 1.6 672 282 B F H >X S+ 0 0 22 -4,-1.0 4,-1.0 -3,-0.4 3,-0.9 0.820 72.0 48.9 -54.2 -59.2 -22.6 21.6 -1.9 673 283 B D H 34 S+ 0 0 104 1,-0.3 3,-0.4 -4,-0.2 4,-0.3 0.838 118.0 43.4 -55.0 -35.8 -26.4 21.6 -1.4 674 284 B Q H <4 S+ 0 0 81 -3,-0.7 3,-0.3 1,-0.2 -1,-0.3 0.756 114.2 52.3 -74.6 -26.1 -26.2 24.8 0.6 675 285 B F H XX S+ 0 0 0 -4,-1.3 4,-1.6 -3,-0.9 3,-0.8 0.511 83.0 92.4 -91.9 -6.7 -23.7 26.3 -1.8 676 286 B R H 3X S+ 0 0 127 -4,-1.0 4,-2.4 -3,-0.4 -1,-0.2 0.861 78.8 56.8 -59.5 -43.0 -25.8 25.6 -5.0 677 287 B K H 3> S+ 0 0 137 -3,-0.3 4,-1.7 -4,-0.3 -1,-0.2 0.795 108.1 48.8 -63.3 -30.2 -27.6 29.0 -5.0 678 288 B V H <> S+ 0 0 17 -3,-0.8 4,-2.0 2,-0.2 -1,-0.2 0.885 109.8 50.1 -77.0 -41.2 -24.2 30.8 -5.2 679 289 B L H X S+ 0 0 14 -4,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.884 111.4 51.0 -62.7 -39.8 -22.8 28.7 -8.0 680 290 B K H X S+ 0 0 75 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.924 108.9 49.8 -61.5 -46.9 -26.0 29.3 -9.9 681 291 B A H X S+ 0 0 34 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.847 108.1 53.7 -65.2 -35.3 -25.8 33.1 -9.4 682 292 B L H X>S+ 0 0 2 -4,-2.0 4,-1.6 2,-0.2 5,-1.3 0.870 108.0 50.8 -66.0 -39.5 -22.1 33.1 -10.6 683 293 B R H <5S+ 0 0 31 -4,-1.6 3,-0.3 2,-0.2 -2,-0.2 0.967 112.5 44.9 -59.6 -54.2 -23.1 31.3 -13.8 684 294 B V H <5S+ 0 0 56 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.866 110.2 55.6 -59.8 -39.1 -25.9 33.8 -14.6 685 295 B A H <5S- 0 0 30 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.864 117.1-115.4 -61.4 -37.4 -23.6 36.7 -13.7 686 296 B G T <5 + 0 0 9 -4,-1.6 -3,-0.2 1,-0.4 -2,-0.1 0.310 69.0 134.0 117.5 -5.4 -21.1 35.4 -16.3 687 297 B M < - 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