==== 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 3GFZ . 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 . 787 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33356.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 565 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 96 12.2 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 . 2 0.3 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 . 37 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 220 28.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.8 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 4 4 2 2 0 5 1 3 5 0 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 6 6 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 . 2 2 1 0 1 2 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 2 0 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 0 117 0, 0.0 54,-0.9 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 122.6 -33.8 32.8 -16.7 2 2 A L E +A 54 0A 40 80,-0.3 80,-2.1 52,-0.2 2,-0.3 -0.374 360.0 176.1 -72.7 140.4 -31.4 31.9 -19.6 3 3 A T E -AB 53 81A 5 50,-2.4 50,-2.3 78,-0.3 2,-0.4 -0.954 21.4-142.0-142.2 150.9 -30.2 28.3 -19.9 4 4 A T E -AB 52 80A 3 76,-2.8 76,-1.9 -2,-0.3 2,-0.4 -0.960 14.6-169.9-118.2 141.4 -28.0 26.2 -22.3 5 5 A L E -AB 51 79A 1 46,-3.0 46,-3.3 -2,-0.4 2,-0.4 -0.999 3.8-176.9-133.8 129.7 -28.8 22.6 -23.2 6 6 A I E +AB 50 78A 0 72,-2.5 71,-2.8 -2,-0.4 72,-1.5 -0.992 9.1 160.0-129.5 134.3 -26.4 20.3 -25.1 7 7 A Y E -AB 49 76A 9 42,-1.9 42,-2.3 -2,-0.4 2,-0.3 -0.958 24.8-145.4-141.2 162.4 -27.0 16.8 -26.3 8 8 A R E +AB 48 75A 28 67,-2.6 67,-3.1 -2,-0.3 2,-0.2 -0.950 23.7 174.7-121.3 151.0 -25.6 14.3 -28.8 9 9 A S E -A 47 0A 0 38,-2.5 38,-1.9 -2,-0.3 2,-0.3 -0.841 21.6-119.9-143.5 179.2 -27.6 11.7 -30.7 10 10 A Q E -AB 46 72A 8 62,-2.6 62,-2.1 36,-0.3 36,-0.2 -0.965 16.7-127.2-130.0 145.4 -27.4 9.1 -33.4 11 11 A V - 0 0 28 34,-2.5 60,-0.2 -2,-0.3 3,-0.1 -0.355 31.8-108.1 -75.6 164.3 -29.1 8.5 -36.8 12 12 A H > - 0 0 32 58,-0.4 3,-1.2 4,-0.1 -1,-0.1 -0.883 30.3-162.5 -90.1 111.7 -30.8 5.2 -37.7 13 13 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.732 83.9 53.6 -70.9 -21.1 -28.4 3.8 -40.3 14 14 A D T 3 S+ 0 0 114 2,-0.1 -2,-0.0 -3,-0.1 -3,-0.0 0.328 98.6 76.3 -95.0 6.1 -30.9 1.2 -41.8 15 15 A R S < S- 0 0 140 -3,-1.2 3,-0.1 1,-0.1 -3,-0.0 -0.765 96.2 -81.5-116.3 160.3 -33.6 3.8 -42.5 16 16 A P - 0 0 117 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 -0.253 62.1 -87.3 -64.2 150.9 -33.9 6.4 -45.3 17 17 A P - 0 0 128 0, 0.0 2,-0.3 0, 0.0 -3,-0.0 -0.274 42.4-114.0 -65.6 140.9 -31.9 9.6 -44.7 18 18 A V - 0 0 54 52,-0.1 2,-1.4 -3,-0.1 3,-0.1 -0.541 22.6-120.6 -74.0 133.3 -33.7 12.3 -42.8 19 19 A D > + 0 0 103 -2,-0.3 4,-1.8 1,-0.2 -1,-0.1 -0.627 36.8 176.5 -72.1 92.3 -34.4 15.6 -44.7 20 20 A L H > S+ 0 0 22 -2,-1.4 4,-3.0 2,-0.2 5,-0.3 0.770 72.3 64.2 -75.0 -29.4 -32.3 17.9 -42.5 21 21 A D H > S+ 0 0 132 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.942 109.2 40.2 -52.5 -52.4 -32.9 20.9 -44.7 22 22 A A H > S+ 0 0 55 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.904 115.9 51.4 -65.5 -44.2 -36.7 20.7 -43.8 23 23 A L H X S+ 0 0 41 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.936 112.8 44.1 -57.8 -52.1 -36.0 19.8 -40.2 24 24 A V H X S+ 0 0 15 -4,-3.0 4,-3.1 2,-0.2 5,-0.2 0.899 112.9 49.6 -66.4 -45.8 -33.7 22.7 -39.6 25 25 A H H X S+ 0 0 138 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.888 115.2 45.2 -60.4 -40.7 -35.8 25.4 -41.4 26 26 A R H X S+ 0 0 202 -4,-2.0 4,-1.6 -5,-0.2 -2,-0.2 0.910 113.8 50.5 -66.3 -44.7 -38.8 24.2 -39.4 27 27 A A H X S+ 0 0 23 -4,-2.7 4,-3.0 -5,-0.2 -2,-0.2 0.937 111.2 47.7 -55.8 -51.5 -36.8 24.1 -36.2 28 28 A S H X S+ 0 0 33 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.897 111.5 49.3 -59.1 -48.8 -35.4 27.7 -36.7 29 29 A S H < S+ 0 0 78 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.791 117.3 41.8 -60.2 -34.6 -38.9 29.2 -37.5 30 30 A K H X S+ 0 0 99 -4,-1.6 4,-0.5 -3,-0.2 -2,-0.2 0.872 114.7 50.8 -81.0 -41.2 -40.4 27.6 -34.4 31 31 A N H ><>S+ 0 0 8 -4,-3.0 5,-2.1 -5,-0.2 3,-1.0 0.886 100.7 58.9 -64.1 -46.9 -37.5 28.3 -32.1 32 32 A L G ><5S+ 0 0 90 -4,-2.1 3,-1.9 1,-0.3 -1,-0.2 0.909 102.3 50.4 -62.2 -48.1 -36.9 32.0 -32.6 33 33 A P G 345S+ 0 0 108 0, 0.0 -1,-0.3 0, 0.0 -2,-0.2 0.735 110.6 54.1 -59.0 -20.7 -40.4 33.3 -31.6 34 34 A L G <<5S- 0 0 108 -3,-1.0 -2,-0.2 -4,-0.5 3,-0.1 0.353 121.6-105.3 -92.4 4.9 -40.0 31.2 -28.4 35 35 A G T < 5S+ 0 0 30 -3,-1.9 2,-0.4 1,-0.3 19,-0.2 0.875 77.0 137.6 69.4 38.3 -36.7 32.8 -27.4 36 36 A I < + 0 0 3 -5,-2.1 2,-0.3 17,-0.1 -1,-0.3 -0.970 23.0 166.9-118.7 133.0 -34.8 29.6 -28.5 37 37 A T E +C 52 0A 5 15,-1.9 15,-2.2 -2,-0.4 2,-0.3 -0.933 14.2 107.8-136.6 159.9 -31.5 29.8 -30.4 38 38 A G E -C 51 0A 0 52,-1.9 2,-0.3 49,-0.3 13,-0.2 -0.994 46.2 -91.3 164.8-165.2 -28.8 27.3 -31.2 39 39 A I E -C 50 0A 0 11,-1.4 11,-2.1 -2,-0.3 2,-0.5 -0.967 14.4-144.9-142.4 155.7 -26.9 25.1 -33.7 40 40 A L E -Cd 49 94A 5 53,-3.3 55,-2.8 -2,-0.3 2,-0.4 -0.991 12.8-165.1-124.0 122.1 -27.0 21.6 -35.0 41 41 A L E -Cd 48 95A 0 7,-3.2 7,-2.0 -2,-0.5 2,-0.3 -0.856 7.8-173.7-102.4 147.2 -23.8 19.7 -36.0 42 42 A F E +Cd 47 96A 21 53,-2.2 55,-2.3 -2,-0.4 56,-0.5 -0.998 19.0 178.7-143.3 132.7 -24.0 16.6 -38.1 43 43 A N - 0 0 42 3,-1.8 4,-0.1 -2,-0.3 53,-0.1 0.242 63.7 -91.8-119.3 10.7 -21.2 14.2 -39.1 44 44 A G S S+ 0 0 18 2,-0.4 3,-0.1 1,-0.0 52,-0.0 -0.147 122.0 36.4 105.8 -36.3 -23.2 11.6 -41.1 45 45 A L S S+ 0 0 108 1,-0.2 -34,-2.5 -36,-0.1 2,-0.3 0.611 115.8 40.8-117.4 -27.7 -23.9 9.3 -38.1 46 46 A Q E -A 10 0A 5 -36,-0.2 -3,-1.8 25,-0.0 -2,-0.4 -0.922 58.9-145.9-132.2 152.8 -24.4 11.6 -35.1 47 47 A F E -AC 9 42A 13 -38,-1.9 -38,-2.5 -2,-0.3 2,-0.4 -0.863 7.6-169.5-110.2 150.9 -26.1 14.9 -34.2 48 48 A F E -AC 8 41A 3 -7,-2.0 -7,-3.2 -2,-0.3 2,-0.4 -0.960 13.7-174.9-139.1 118.0 -24.8 17.4 -31.7 49 49 A Q E -AC 7 40A 11 -42,-2.3 -42,-1.9 -2,-0.4 2,-0.5 -0.962 15.2-163.4-124.6 136.1 -27.2 20.2 -30.7 50 50 A V E -AC 6 39A 0 -11,-2.1 -11,-1.4 -2,-0.4 2,-0.4 -0.973 14.8-172.6-112.0 129.6 -26.8 23.3 -28.6 51 51 A L E -AC 5 38A 0 -46,-3.3 -46,-3.0 -2,-0.5 2,-0.4 -0.955 5.2-169.4-125.7 143.1 -30.0 25.0 -27.4 52 52 A E E +AC 4 37A 0 -15,-2.2 -15,-1.9 -2,-0.4 2,-0.3 -0.997 36.0 84.7-134.3 136.2 -30.4 28.2 -25.5 53 53 A G E S-A 3 0A 0 -50,-2.3 -50,-2.4 -2,-0.4 -17,-0.1 -0.969 76.6 -27.2 163.3-167.3 -33.5 29.7 -23.9 54 54 A T E > -A 2 0A 56 -2,-0.3 4,-2.4 -19,-0.2 5,-0.3 -0.345 57.2-115.7 -71.9 152.8 -35.5 29.6 -20.7 55 55 A E H > S+ 0 0 83 -54,-0.9 4,-1.9 1,-0.2 5,-0.1 0.904 118.3 48.8 -52.4 -44.5 -35.4 26.5 -18.5 56 56 A E H > S+ 0 0 139 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.906 111.0 48.9 -60.9 -47.3 -39.1 26.0 -19.2 57 57 A A H > S+ 0 0 21 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.923 114.7 42.9 -64.4 -46.0 -38.8 26.4 -23.0 58 58 A L H X S+ 0 0 1 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.804 110.5 57.1 -72.3 -32.3 -35.8 24.0 -23.4 59 59 A E H X S+ 0 0 97 -4,-1.9 4,-1.6 -5,-0.3 -1,-0.2 0.942 111.5 43.3 -56.9 -50.2 -37.5 21.5 -21.0 60 60 A S H X S+ 0 0 77 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.926 118.4 43.2 -62.9 -49.8 -40.5 21.5 -23.3 61 61 A L H >X S+ 0 0 18 -4,-2.4 4,-2.4 2,-0.2 3,-0.8 0.964 111.5 51.8 -63.6 -54.6 -38.5 21.3 -26.6 62 62 A F H 3X S+ 0 0 3 -4,-2.7 4,-3.1 1,-0.3 -1,-0.2 0.837 105.4 58.5 -55.5 -33.0 -36.0 18.7 -25.4 63 63 A S H 3X S+ 0 0 67 -4,-1.6 4,-1.1 -5,-0.3 -1,-0.3 0.906 108.0 45.1 -60.5 -42.2 -38.9 16.5 -24.4 64 64 A E H << S+ 0 0 105 -4,-1.3 3,-0.3 -3,-0.8 -2,-0.2 0.919 114.7 49.3 -65.0 -43.6 -40.2 16.6 -28.0 65 65 A I H >< S+ 0 0 23 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.905 105.6 55.6 -63.7 -45.6 -36.7 16.0 -29.3 66 66 A Q H 3< S+ 0 0 86 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.796 112.0 44.9 -55.1 -33.5 -36.0 13.0 -27.0 67 67 A S T 3< S+ 0 0 101 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.335 84.4 120.2 -93.7 5.5 -39.2 11.3 -28.3 68 68 A D X - 0 0 41 -3,-1.7 3,-1.2 -4,-0.2 -3,-0.0 -0.572 56.8-149.2 -75.1 125.7 -38.5 12.1 -32.0 69 69 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.580 85.0 83.1 -71.0 -6.5 -38.2 8.9 -34.0 70 70 A R T 3 S+ 0 0 122 -59,-0.1 -58,-0.4 2,-0.0 2,-0.3 0.562 102.6 17.8 -71.4 -10.7 -35.7 10.5 -36.4 71 71 A H < - 0 0 18 -3,-1.2 2,-0.3 -6,-0.2 -60,-0.2 -0.921 64.4-163.6-150.8 175.4 -32.8 9.7 -34.0 72 72 A R E +B 10 0A 36 -62,-2.1 -62,-2.6 -2,-0.3 -5,-0.0 -0.904 61.5 52.2-152.4 174.4 -31.9 7.5 -31.0 73 73 A D E - 0 0 28 -2,-0.3 2,-0.6 1,-0.2 -1,-0.1 0.921 66.2-171.6 53.8 49.6 -29.3 7.3 -28.2 74 74 A V E - 0 0 15 -8,-0.2 2,-0.5 -65,-0.1 -65,-0.2 -0.661 2.5-173.1 -77.1 115.6 -29.9 10.8 -27.1 75 75 A V E -B 8 0A 2 -67,-3.1 -67,-2.6 -2,-0.6 2,-0.4 -0.967 16.9-139.6-117.7 122.2 -27.2 11.7 -24.5 76 76 A E E +Be 7 330A 55 253,-2.4 255,-2.6 -2,-0.5 256,-0.5 -0.682 22.0 175.8 -82.5 130.9 -27.4 15.0 -22.6 77 77 A L E + 0 0 12 -71,-2.8 2,-0.3 -2,-0.4 -70,-0.2 0.726 62.0 8.6-105.8 -31.1 -24.0 16.6 -22.1 78 78 A M E +B 6 0A 22 -72,-1.5 -72,-2.5 2,-0.0 -1,-0.3 -0.993 44.1 170.6-156.2 140.2 -24.8 19.9 -20.4 79 79 A R E +B 5 0A 90 -2,-0.3 2,-0.3 -74,-0.2 -74,-0.2 -0.773 33.0 141.1-150.4 107.2 -27.7 21.8 -18.9 80 80 A D E -B 4 0A 22 -76,-1.9 -76,-2.8 -2,-0.2 2,-0.1 -0.966 54.1 -92.9-145.7 159.4 -26.6 25.0 -17.1 81 81 A Y E -B 3 0A 63 -2,-0.3 2,-0.3 -78,-0.2 -78,-0.3 -0.454 45.1-152.6 -70.7 149.8 -27.6 28.5 -16.4 82 82 A S - 0 0 8 -80,-2.1 -80,-0.3 -2,-0.1 3,-0.1 -0.916 22.6-151.7-132.2 148.9 -26.1 31.0 -18.9 83 83 A A S S+ 0 0 39 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.709 81.2 3.4 -91.3 -26.6 -25.1 34.7 -18.8 84 84 A Y S S- 0 0 89 603,-0.0 2,-0.5 -82,-0.0 -1,-0.3 -0.986 77.7 -95.5-157.2 163.1 -25.6 35.4 -22.5 85 85 A R - 0 0 60 -2,-0.3 3,-0.5 1,-0.1 -47,-0.0 -0.708 23.9-169.4 -84.7 123.7 -26.8 33.9 -25.7 86 86 A R S S+ 0 0 33 -2,-0.5 28,-3.3 28,-0.2 -1,-0.1 0.703 88.9 42.8 -81.2 -24.2 -23.9 32.5 -27.9 87 87 A F S > S+ 0 0 2 26,-0.2 3,-1.6 27,-0.1 -49,-0.3 -0.360 79.2 172.4-120.5 52.5 -26.1 32.1 -30.9 88 88 A H T 3 + 0 0 124 -3,-0.5 3,-0.1 1,-0.3 -51,-0.0 -0.363 68.8 18.5 -60.4 133.5 -28.0 35.3 -30.8 89 89 A G T 3 S+ 0 0 58 1,-0.1 2,-0.4 -57,-0.1 -1,-0.3 0.610 98.9 103.6 79.8 12.2 -30.2 35.6 -34.0 90 90 A T < - 0 0 18 -3,-1.6 -52,-1.9 1,-0.2 3,-0.2 -0.917 44.0-174.5-127.0 107.2 -30.1 32.0 -35.1 91 91 A G S S- 0 0 1 -2,-0.4 2,-0.3 1,-0.3 -1,-0.2 0.964 77.6 -32.6 -58.9 -55.0 -33.2 29.9 -34.4 92 92 A M - 0 0 6 -55,-0.1 2,-0.3 -41,-0.1 -1,-0.3 -0.927 65.3-179.9-162.3 153.5 -31.5 26.9 -35.6 93 93 A R - 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0 0 8 32,-2.2 34,-0.3 -2,-0.4 -28,-0.1 -0.999 34.0-121.8-142.8 142.4 -17.9 -4.9 7.0 236 241 A L >> - 0 0 59 -2,-0.3 3,-1.3 1,-0.1 4,-1.1 -0.646 28.5-125.9 -72.6 134.4 -17.8 -1.6 8.8 237 242 A P H >> S+ 0 0 4 0, 0.0 4,-1.0 0, 0.0 3,-0.7 0.880 112.4 57.4 -46.2 -40.8 -14.2 -0.4 9.3 238 243 A G H 3> S+ 0 0 12 1,-0.2 4,-1.5 2,-0.2 -31,-0.1 0.756 96.4 60.6 -64.2 -28.2 -15.0 -0.1 13.0 239 244 A S H <4 S+ 0 0 0 -3,-1.3 4,-0.5 1,-0.2 -1,-0.2 0.824 105.3 50.5 -66.8 -29.4 -15.9 -3.8 13.2 240 245 A L H << S+ 0 0 6 -4,-1.1 6,-0.4 -3,-0.7 7,-0.3 0.780 113.1 44.1 -75.8 -28.6 -12.3 -4.5 12.1 241 246 A Y H < S+ 0 0 55 -4,-1.0 -2,-0.2 1,-0.1 -1,-0.2 0.715 92.1 85.5 -84.0 -23.8 -10.8 -2.2 14.8 242 247 A H S < S+ 0 0 88 -4,-1.5 -1,-0.1 -5,-0.1 -2,-0.1 0.867 92.6 36.6 -50.2 -50.0 -13.0 -3.4 17.6 243 248 A H S > S- 0 0 70 -4,-0.5 3,-0.8 -3,-0.1 4,-0.2 -0.650 81.7-119.9-103.7 158.7 -10.9 -6.5 18.6 244 249 A P T 3 S+ 0 0 132 0, 0.0 3,-0.2 0, 0.0 4,-0.1 0.898 112.3 25.2 -59.6 -42.6 -7.1 -7.0 18.7 245 250 A D T 3> S+ 0 0 96 1,-0.2 4,-3.2 2,-0.1 5,-0.2 -0.380 71.9 139.9-123.6 52.7 -7.2 -9.9 16.2 246 251 A A H <> S+ 0 0 3 -3,-0.8 4,-2.5 -6,-0.4 -1,-0.2 0.937 82.3 45.6 -58.5 -46.6 -10.3 -9.3 14.2 247 252 A V H > S+ 0 0 15 -7,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.914 112.3 51.0 -62.6 -46.4 -8.4 -10.3 11.0 248 253 A G H > S+ 0 0 28 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.890 110.7 49.7 -56.7 -41.9 -7.0 -13.3 12.9 249 254 A W H X S+ 0 0 66 -4,-3.2 4,-2.3 2,-0.2 -2,-0.2 0.910 108.9 51.1 -62.3 -45.5 -10.5 -14.2 13.9 250 255 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.931 108.6 53.3 -58.0 -46.7 -11.8 -13.9 10.3 251 256 A M H X S+ 0 0 26 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.939 110.1 46.8 -49.0 -55.2 -8.9 -16.2 9.2 252 257 A D H X S+ 0 0 110 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.897 113.3 48.8 -56.5 -44.5 -9.9 -18.9 11.7 253 258 A S H X S+ 0 0 21 -4,-2.3 4,-1.1 2,-0.2 -1,-0.2 0.887 113.5 44.0 -68.8 -42.1 -13.6 -18.7 10.9 254 259 A L H <>S+ 0 0 0 -4,-2.5 5,-2.7 2,-0.2 -1,-0.2 0.894 114.2 50.2 -71.3 -39.0 -13.2 -18.9 7.1 255 260 A L H ><5S+ 0 0 77 -4,-2.4 3,-1.6 -5,-0.3 -2,-0.2 0.880 108.4 52.9 -65.3 -38.0 -10.6 -21.7 7.3 256 261 A A H 3<5S+ 0 0 92 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.779 106.7 53.4 -67.5 -27.2 -12.9 -23.7 9.7 257 262 A A T 3<5S- 0 0 25 -4,-1.1 -1,-0.3 -5,-0.1 -2,-0.2 0.316 124.2-108.3 -86.8 6.5 -15.6 -23.3 7.0 258 263 A G T < 5S+ 0 0 64 -3,-1.6 -3,-0.2 1,-0.2 2,-0.2 0.674 75.3 131.2 77.8 19.8 -13.2 -24.8 4.5 259 264 A L < - 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0 0 6 -5,-2.7 -1,-0.3 -6,-0.1 3,-0.0 -0.474 55.5-124.2 -96.4 172.7 -12.7 44.0 -16.3 656 265 B R >> - 0 0 143 -2,-0.2 3,-1.6 1,-0.1 4,-0.5 -0.918 21.8-116.9-116.9 147.1 -15.5 41.8 -17.7 657 266 B P G >4 S+ 0 0 14 0, 0.0 3,-1.8 0, 0.0 32,-0.4 0.886 115.4 52.7 -45.2 -51.0 -17.4 39.0 -15.8 658 267 B D G 34 S+ 0 0 75 1,-0.3 29,-0.1 30,-0.2 31,-0.1 0.692 100.3 63.3 -62.9 -20.3 -16.2 36.3 -18.1 659 268 B Q G <4 S+ 0 0 33 -3,-1.6 -32,-3.0 -33,-0.1 2,-0.5 0.625 92.2 77.9 -77.0 -15.7 -12.6 37.4 -17.5 660 269 B V E << -z 627 0F 0 -3,-1.8 29,-2.5 -4,-0.5 2,-0.4 -0.876 60.5-171.7-105.8 122.2 -12.9 36.6 -13.8 661 270 B L E -za 628 689F 0 -34,-2.5 -32,-2.5 -2,-0.5 2,-0.5 -0.935 14.8-143.6-109.5 133.9 -12.6 33.0 -12.6 662 271 B I E -za 629 690F 0 27,-2.6 29,-2.9 -2,-0.4 2,-0.6 -0.874 12.6-152.5 -98.8 123.9 -13.3 32.1 -9.0 663 272 B E E +za 630 691F 2 -34,-3.7 -32,-2.0 -2,-0.5 2,-0.3 -0.867 19.7 169.7-100.7 121.2 -11.1 29.3 -7.5 664 273 B V E - a 0 692F 0 27,-2.5 29,-3.1 -2,-0.6 2,-0.2 -0.951 32.5-120.0-123.6 147.5 -12.5 27.1 -4.7 665 274 B T E > - a 0 693F 21 -2,-0.3 4,-2.0 27,-0.2 3,-0.5 -0.625 17.7-128.5 -83.3 146.6 -11.0 23.9 -3.3 666 275 B E H > S+ 0 0 1 27,-1.3 4,-3.8 -2,-0.2 5,-0.3 0.875 107.9 62.5 -63.2 -35.8 -13.0 20.7 -3.5 667 276 B T H > S+ 0 0 58 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.869 110.7 39.0 -55.7 -38.9 -12.4 20.1 0.2 668 277 B E H 4 S+ 0 0 63 -3,-0.5 -1,-0.2 2,-0.2 -2,-0.2 0.794 118.9 48.1 -81.8 -32.0 -14.3 23.3 0.9 669 278 B V H >< S+ 0 0 0 -4,-2.0 3,-2.5 2,-0.1 -2,-0.2 0.982 109.5 51.4 -65.5 -60.6 -16.9 22.6 -1.9 670 279 B I H >< S+ 0 0 29 -4,-3.8 3,-0.6 1,-0.3 -2,-0.2 0.833 103.1 59.0 -47.2 -43.5 -17.6 19.0 -0.9 671 280 B T T 3< S+ 0 0 113 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.1 0.477 118.0 29.7 -73.0 -1.4 -18.3 19.8 2.8 672 281 B C T <> + 0 0 18 -3,-2.5 4,-0.9 -4,-0.1 -1,-0.3 -0.369 59.6 150.8-156.3 74.4 -21.2 22.2 1.8 673 282 B F H X> S+ 0 0 40 -3,-0.6 4,-1.9 1,-0.2 3,-0.6 0.938 72.3 65.9 -62.2 -50.8 -23.0 21.4 -1.5 674 283 B D H 34 S+ 0 0 111 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.812 110.2 31.6 -36.7 -52.8 -26.3 23.0 -0.2 675 284 B Q H 3> S+ 0 0 40 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.618 113.1 62.4 -92.8 -17.6 -25.0 26.6 -0.1 676 285 B F H S+ 0 0 153 -4,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.808 116.5 50.0 -79.1 -30.4 -27.0 29.0 -5.3 679 288 B V H X S+ 0 0 15 -4,-0.9 4,-2.7 2,-0.2 -2,-0.2 0.941 112.9 46.3 -67.2 -49.7 -23.7 30.8 -5.2 680 289 B L H X S+ 0 0 14 -4,-3.4 4,-2.6 1,-0.2 -2,-0.2 0.904 112.0 52.8 -57.9 -43.3 -22.5 28.8 -8.3 681 290 B K H X S+ 0 0 59 -4,-1.8 4,-2.4 -5,-0.2 -1,-0.2 0.918 110.5 46.2 -56.9 -48.7 -25.9 29.6 -9.9 682 291 B A H X S+ 0 0 38 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.906 113.1 49.7 -62.9 -43.0 -25.5 33.3 -9.2 683 292 B L H X>S+ 0 0 1 -4,-2.7 5,-1.5 2,-0.2 4,-1.0 0.878 111.4 50.2 -62.2 -40.0 -21.9 33.3 -10.5 684 293 B R H ><5S+ 0 0 22 -4,-2.6 3,-0.5 2,-0.2 -2,-0.2 0.932 110.8 46.7 -62.8 -50.9 -23.0 31.4 -13.6 685 294 B V H 3<5S+ 0 0 57 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.864 110.7 53.4 -63.6 -36.7 -25.8 33.8 -14.5 686 295 B A H 3<5S- 0 0 32 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.731 117.4-115.9 -70.1 -24.6 -23.5 36.8 -13.9 687 296 B G T <<5 + 0 0 11 -4,-1.0 -3,-0.2 -3,-0.5 -2,-0.1 0.389 67.5 134.9 107.1 0.2 -21.0 35.3 -16.3 688 297 B M < - 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