==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 19-DEC-08 3FLM . COMPND 2 MOLECULE: 2-SUCCINYL-5-ENOLPYRUVYL-6-HYDROXY-3-CYCLOHEXENE- . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K-12; . AUTHOR A.PRIYADARSHI,K.Y.HWANG . 1066 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40120.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 747 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 153 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 92 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 142 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 323 30.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 0.7 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 9 2 6 5 1 5 2 1 3 3 3 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 7 6 8 4 2 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 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 2 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 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 S >> 0 0 67 0, 0.0 4,-1.8 0, 0.0 3,-1.1 0.000 360.0 360.0 360.0 96.2 -10.9 -20.3 35.5 2 3 A V H 3> + 0 0 75 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.842 360.0 55.2 -46.3 -38.2 -10.6 -20.0 31.6 3 4 A S H 3> S+ 0 0 38 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.850 103.9 52.2 -81.4 -22.5 -9.1 -23.4 31.3 4 5 A A H <> S+ 0 0 11 -3,-1.1 4,-1.4 2,-0.2 3,-0.2 0.922 113.4 44.2 -68.6 -37.2 -11.8 -25.3 33.1 5 6 A F H >X S+ 0 0 10 -4,-1.8 4,-2.7 1,-0.2 3,-1.2 0.995 106.7 58.4 -69.8 -48.4 -14.5 -23.8 30.9 6 7 A N H 3X S+ 0 0 5 -4,-2.3 4,-2.1 1,-0.3 -1,-0.2 0.796 106.3 53.9 -49.2 -28.5 -12.5 -24.3 27.6 7 8 A R H 3X S+ 0 0 74 -4,-1.0 4,-2.2 -3,-0.2 -1,-0.3 0.833 109.1 44.2 -77.2 -33.5 -12.5 -28.1 28.6 8 9 A R H < S+ 0 0 0 -4,-1.9 3,-3.6 1,-0.2 4,-0.3 0.930 102.8 57.0 -54.3 -45.6 -22.3 -34.2 20.2 17 18 A L H ><>S+ 0 0 0 -4,-1.7 3,-2.4 1,-0.3 5,-1.4 0.887 98.8 63.9 -53.1 -39.7 -20.3 -35.7 17.3 18 19 A T G ><5S+ 0 0 18 -4,-1.9 3,-0.6 -3,-0.3 -1,-0.3 0.673 93.3 60.7 -51.2 -24.6 -20.9 -39.0 19.0 19 20 A R G < 5S+ 0 0 19 -3,-3.6 -1,-0.3 -4,-0.4 -2,-0.2 0.461 100.0 54.9 -93.0 7.2 -24.6 -38.6 18.4 20 21 A H G < 5S- 0 0 37 -3,-2.4 -1,-0.2 -4,-0.3 -2,-0.2 0.206 127.1 -85.6-123.6 9.1 -24.2 -38.5 14.5 21 22 A G T < 5S+ 0 0 28 -3,-0.6 2,-0.6 1,-0.2 -3,-0.2 0.329 74.0 151.5 109.7 4.2 -22.4 -41.7 14.1 22 23 A V < + 0 0 0 -5,-1.4 -1,-0.2 1,-0.2 50,-0.2 -0.583 6.2 142.0 -80.5 117.6 -18.8 -40.6 14.6 23 24 A R + 0 0 97 48,-0.7 24,-2.4 -2,-0.6 -1,-0.2 0.697 53.6 68.7-117.2 -52.4 -16.7 -43.5 16.0 24 25 A H E -a 47 0A 24 47,-0.4 49,-1.5 22,-0.2 2,-0.4 -0.409 62.0-172.2 -72.1 145.8 -13.3 -43.1 14.3 25 26 A I E -ab 48 73A 0 22,-3.1 24,-1.5 47,-0.2 2,-0.7 -0.984 10.8-153.9-139.2 129.4 -11.1 -40.2 15.2 26 27 A C E +ab 49 74A 0 47,-2.7 49,-2.7 -2,-0.4 2,-0.3 -0.912 22.2 167.9-111.1 120.9 -7.9 -39.1 13.6 27 28 A I E -ab 50 75A 9 22,-2.8 24,-0.8 -2,-0.7 49,-0.1 -0.918 19.8-164.1-119.9 146.6 -5.4 -37.1 15.7 28 29 A A - 0 0 2 47,-0.8 49,-0.2 -2,-0.3 24,-0.1 -0.989 41.9 -93.2-120.1 140.8 -1.8 -36.0 15.3 29 30 A P + 0 0 99 0, 0.0 2,-0.2 0, 0.0 48,-0.2 -0.100 58.2 150.9 -31.8 139.5 0.3 -34.8 18.3 30 31 A G > - 0 0 32 46,-0.1 4,-0.6 1,-0.0 -2,-0.0 -0.766 50.3-123.7 178.9 142.7 0.3 -30.8 18.8 31 32 A S T 4 S+ 0 0 114 -2,-0.2 -1,-0.0 1,-0.2 0, 0.0 0.506 105.7 33.7 -79.3 -3.5 0.7 -28.2 21.6 32 33 A R T >4 S+ 0 0 10 46,-0.1 3,-1.0 2,-0.1 -1,-0.2 0.714 103.8 62.5-109.8 -36.0 -2.6 -26.4 20.9 33 34 A S T >> S+ 0 0 1 1,-0.2 3,-3.2 71,-0.1 4,-1.7 0.662 75.4 111.7 -48.9 -17.4 -5.2 -28.9 19.8 34 35 A T H 3X + 0 0 43 -4,-0.6 4,-2.7 1,-0.3 5,-0.3 0.696 66.0 60.0 -40.9 -27.6 -4.5 -30.3 23.2 35 36 A L H <> S+ 0 0 1 -3,-1.0 4,-1.9 2,-0.2 -1,-0.3 0.882 109.8 37.5 -72.1 -33.3 -8.0 -29.3 24.3 36 37 A L H <> S+ 0 0 0 -3,-3.2 4,-1.6 2,-0.2 -1,-0.2 0.837 118.3 51.3 -91.8 -34.1 -9.9 -31.3 21.8 37 38 A T H X S+ 0 0 38 -4,-1.7 4,-2.9 2,-0.2 3,-0.3 0.947 110.7 46.5 -55.5 -61.9 -7.5 -34.2 22.0 38 39 A L H X S+ 0 0 75 -4,-2.7 4,-2.7 -5,-0.2 5,-0.2 0.953 113.2 52.1 -42.0 -59.4 -7.6 -34.3 25.7 39 40 A A H X S+ 0 0 9 -4,-1.9 4,-0.5 -5,-0.3 -2,-0.2 0.784 112.7 43.9 -47.7 -40.1 -11.4 -34.1 25.4 40 41 A A H < S+ 0 0 0 -4,-1.6 6,-0.3 -3,-0.3 -1,-0.2 0.787 108.6 57.1 -80.8 -33.4 -11.4 -37.1 22.8 41 42 A A H < S+ 0 0 69 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.946 109.4 47.1 -62.4 -47.2 -9.0 -39.1 24.9 42 43 A E H < S+ 0 0 143 -4,-2.7 2,-0.7 -5,-0.2 -1,-0.2 0.774 94.3 87.4 -59.5 -25.5 -11.5 -38.9 27.8 43 44 A N >< - 0 0 25 -4,-0.5 3,-1.1 -5,-0.2 -1,-0.0 -0.658 64.4-162.0 -88.5 117.5 -14.4 -39.8 25.5 44 45 A S T 3 S+ 0 0 126 -2,-0.7 -1,-0.2 1,-0.2 -4,-0.1 0.528 76.6 76.3 -77.4 -7.0 -14.6 -43.6 25.6 45 46 A A T 3 S+ 0 0 36 2,-0.0 2,-0.3 -5,-0.0 -1,-0.2 0.436 79.3 87.4 -76.1 -9.1 -16.8 -43.8 22.4 46 47 A F < - 0 0 13 -3,-1.1 2,-0.7 -6,-0.3 -22,-0.2 -0.766 66.5-138.4-103.5 142.1 -14.0 -43.0 19.8 47 48 A I E -a 24 0A 84 -24,-2.4 -22,-3.1 -2,-0.3 2,-0.2 -0.839 32.4-138.8 -85.7 124.0 -11.5 -45.2 17.9 48 49 A H E +a 25 0A 83 -2,-0.7 2,-0.3 -24,-0.2 -22,-0.2 -0.560 26.6 172.8 -83.5 140.8 -8.2 -43.3 18.0 49 50 A H E -a 26 0A 12 -24,-1.5 -22,-2.8 -2,-0.2 2,-0.3 -0.977 8.4-171.3-141.0 148.0 -5.9 -43.1 14.9 50 51 A T E +a 27 0A 77 -2,-0.3 2,-0.3 -24,-0.2 -22,-0.2 -0.965 16.1 162.8-142.3 163.9 -2.7 -40.9 14.6 51 52 A H - 0 0 10 -24,-0.8 6,-0.1 -2,-0.3 397,-0.1 -0.834 31.3-140.0-174.6 139.8 -0.1 -39.8 12.0 52 53 A F S S+ 0 0 35 -2,-0.3 2,-0.7 -24,-0.1 3,-0.1 0.733 87.5 77.6 -88.0 -24.7 2.4 -37.0 12.1 53 54 A D > - 0 0 0 1,-0.2 4,-3.2 394,-0.1 5,-0.2 -0.723 69.6-159.3 -80.3 113.2 2.0 -35.9 8.5 54 55 A E H > S+ 0 0 10 -2,-0.7 4,-2.2 1,-0.2 5,-0.2 0.920 91.1 56.2 -63.3 -37.1 -1.4 -33.9 8.6 55 56 A R H > S+ 0 0 2 2,-0.2 4,-2.0 1,-0.2 3,-0.4 0.965 110.5 46.8 -49.7 -48.9 -1.9 -34.4 4.8 56 57 A G H > S+ 0 0 0 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.951 106.7 56.8 -67.5 -45.1 -1.6 -38.1 5.5 57 58 A L H X S+ 0 0 0 -4,-3.2 4,-2.4 2,-0.2 -1,-0.3 0.859 104.7 53.0 -48.8 -35.8 -4.0 -37.9 8.4 58 59 A G H X S+ 0 0 1 -4,-2.2 4,-2.6 -3,-0.4 -2,-0.2 0.977 111.5 45.4 -69.6 -50.3 -6.7 -36.4 6.2 59 60 A H H X S+ 0 0 3 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.850 109.5 54.6 -52.3 -40.4 -6.3 -39.2 3.7 60 61 A L H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.918 110.1 47.2 -62.3 -46.9 -6.3 -41.8 6.5 61 62 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.2 5,-0.2 0.957 111.4 51.7 -51.5 -50.1 -9.6 -40.3 7.7 62 63 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.874 106.7 54.3 -56.8 -43.3 -10.8 -40.4 4.0 63 64 A G H X S+ 0 0 0 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.968 112.5 43.1 -50.9 -54.2 -9.8 -44.1 3.8 64 65 A L H X S+ 0 0 0 -4,-2.2 4,-3.3 1,-0.2 5,-0.4 0.865 113.9 47.9 -63.6 -47.2 -11.9 -44.9 6.8 65 66 A A H X S+ 0 0 5 -4,-2.8 4,-3.2 1,-0.2 5,-0.3 0.963 108.0 60.6 -61.6 -43.5 -15.0 -42.8 5.9 66 67 A K H < S+ 0 0 12 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.837 117.3 26.1 -45.2 -51.2 -14.7 -44.4 2.5 67 68 A V H < S+ 0 0 21 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.884 123.2 48.1 -85.6 -42.3 -15.2 -47.9 3.6 68 69 A S H < S- 0 0 29 -4,-3.3 -2,-0.2 -5,-0.2 -3,-0.2 0.765 89.3-144.7 -76.1 -22.7 -17.2 -47.5 6.9 69 70 A K < + 0 0 161 -4,-3.2 -4,-0.1 -5,-0.4 -3,-0.1 0.580 63.0 115.9 68.4 13.6 -19.6 -45.1 5.2 70 71 A Q S S- 0 0 62 -6,-0.4 -1,-0.3 -5,-0.3 28,-0.2 -0.726 76.2 -91.7-111.0 158.9 -19.7 -43.3 8.5 71 72 A P - 0 0 12 0, 0.0 -48,-0.7 0, 0.0 2,-0.4 -0.446 41.1-160.3 -72.5 150.9 -18.6 -39.8 9.5 72 73 A V E - c 0 99A 0 26,-2.3 28,-2.4 -50,-0.2 -47,-0.2 -0.985 6.2-139.9-137.8 124.6 -15.1 -39.5 10.7 73 74 A A E -bc 25 100A 0 -49,-1.5 -47,-2.7 -2,-0.4 2,-0.4 -0.480 10.3-167.6 -82.9 155.3 -13.5 -36.8 12.8 74 75 A V E -bc 26 101A 0 26,-1.9 28,-3.3 -49,-0.2 2,-0.4 -0.993 6.2-162.7-139.1 133.7 -10.1 -35.3 12.4 75 76 A I E +bc 27 102A 0 -49,-2.7 -47,-0.8 -2,-0.4 2,-0.3 -0.958 15.5 168.0-119.4 134.6 -8.5 -33.1 15.0 76 77 A V E - c 0 103A 0 26,-2.0 28,-2.8 -2,-0.4 -46,-0.1 -0.959 33.1-104.8-144.2 160.3 -5.6 -30.8 14.5 77 78 A T - 0 0 7 -2,-0.3 5,-0.4 -48,-0.2 -46,-0.0 -0.260 50.2 -85.6 -76.2 160.9 -3.6 -28.1 15.9 78 79 A S S S+ 0 0 1 3,-0.1 3,-0.4 25,-0.1 2,-0.2 -0.270 88.4 24.8 -63.6 155.2 -3.8 -24.4 14.7 79 80 A G S >> S- 0 0 0 25,-0.2 3,-2.0 1,-0.2 4,-0.7 -0.608 120.7 -4.7 95.3-154.8 -1.8 -23.1 11.8 80 81 A T H 3> S+ 0 0 6 1,-0.3 4,-1.5 872,-0.3 -1,-0.2 0.720 118.6 76.0 -51.5 -23.8 -0.3 -25.0 8.7 81 82 A A H >4 S+ 0 0 6 -3,-0.4 3,-0.5 1,-0.2 4,-0.3 0.962 96.0 50.5 -52.0 -43.8 -1.4 -28.2 10.2 82 83 A V H X4 S+ 0 0 0 -3,-2.0 3,-2.8 -5,-0.4 4,-0.4 0.905 100.9 56.4 -62.9 -49.6 -4.8 -27.2 9.0 83 84 A A H >< S+ 0 0 1 -4,-0.7 3,-2.5 1,-0.3 -1,-0.3 0.878 97.1 68.0 -52.1 -33.6 -4.1 -26.3 5.4 84 85 A N T << S+ 0 0 2 -4,-1.5 4,-0.3 -3,-0.5 -1,-0.3 0.706 85.6 67.9 -62.2 -19.0 -2.7 -29.8 5.0 85 86 A L T <> S+ 0 0 2 -3,-2.8 4,-2.8 -4,-0.3 -1,-0.3 0.613 79.3 94.8 -68.7 -9.1 -6.3 -31.2 5.4 86 87 A Y H <> S+ 0 0 0 -3,-2.5 4,-2.9 -4,-0.4 5,-0.2 0.906 75.9 48.4 -62.8 -46.7 -7.0 -29.6 2.1 87 88 A P H > S+ 0 0 1 0, 0.0 4,-2.3 0, 0.0 5,-0.3 0.974 114.9 43.5 -51.5 -62.0 -6.4 -32.4 -0.3 88 89 A A H > S+ 0 0 2 -4,-0.3 4,-3.1 1,-0.2 5,-0.2 0.907 114.4 54.3 -57.1 -32.0 -8.6 -35.1 1.5 89 90 A L H X S+ 0 0 1 -4,-2.8 4,-1.9 2,-0.2 73,-0.3 0.953 108.7 45.7 -64.6 -50.0 -11.2 -32.4 2.1 90 91 A I H X S+ 0 0 2 -4,-2.9 4,-1.1 -5,-0.2 -2,-0.2 0.951 113.4 49.3 -56.3 -57.5 -11.4 -31.6 -1.6 91 92 A E H >X S+ 0 0 5 -4,-2.3 4,-1.8 1,-0.2 3,-1.6 0.935 111.0 51.5 -44.9 -50.8 -11.5 -35.3 -2.6 92 93 A A H 3X S+ 0 0 0 -4,-3.1 4,-4.0 1,-0.3 -1,-0.2 0.900 103.4 56.9 -58.6 -39.2 -14.3 -35.9 -0.0 93 94 A G H 3< S+ 0 0 39 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.751 111.6 44.7 -70.2 -19.4 -16.4 -33.1 -1.3 94 95 A L H << S+ 0 0 66 -3,-1.6 -1,-0.3 -4,-1.1 -2,-0.2 0.710 125.1 28.8 -95.6 -23.7 -16.3 -34.8 -4.6 95 96 A T H < S- 0 0 22 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.2 0.676 108.1-105.7-114.0 -13.1 -17.0 -38.3 -3.5 96 97 A G < + 0 0 20 -4,-4.0 65,-1.4 1,-0.3 -3,-0.1 0.306 55.4 155.6 125.0 -7.4 -19.1 -38.0 -0.4 97 98 A E - 0 0 17 63,-0.2 2,-1.8 -5,-0.2 -1,-0.3 -0.255 42.6-131.6 -63.8 130.7 -16.9 -38.8 2.5 98 99 A K + 0 0 66 -28,-0.2 -26,-2.3 62,-0.1 2,-0.7 -0.563 34.6 173.3 -79.5 81.4 -18.1 -37.4 5.7 99 100 A L E -c 72 0A 0 -2,-1.8 64,-2.2 -28,-0.2 2,-1.0 -0.744 15.3-162.7 -85.9 114.1 -15.0 -35.9 7.1 100 101 A I E -cd 73 163A 0 -28,-2.4 -26,-1.9 -2,-0.7 2,-0.7 -0.694 11.4-164.1 -94.1 105.1 -15.6 -33.8 10.2 101 102 A L E -cd 74 164A 2 62,-2.3 64,-2.9 -2,-1.0 2,-0.8 -0.721 10.6-167.3 -95.7 121.0 -12.6 -31.6 10.7 102 103 A L E -cd 75 165A 0 -28,-3.3 -26,-2.0 -2,-0.7 2,-0.8 -0.852 8.7-168.6-100.7 109.2 -12.1 -29.9 14.0 103 104 A T E -cd 76 166A 0 62,-1.8 64,-2.7 -2,-0.8 -26,-0.2 -0.730 17.1-138.4 -97.5 108.2 -9.4 -27.3 13.6 104 105 A A E - d 0 167A 0 -28,-2.8 2,-0.3 -2,-0.8 -25,-0.2 -0.451 28.9-163.2 -64.7 138.5 -8.2 -25.9 16.9 105 106 A D E - d 0 168A 5 62,-2.4 64,-1.5 -27,-0.1 13,-0.1 -0.903 24.2-112.2-115.2 153.4 -7.8 -22.1 16.4 106 107 A R - 0 0 35 -2,-0.3 64,-0.1 13,-0.2 -27,-0.1 -0.446 54.4 -93.4 -62.1 156.3 -6.0 -19.4 18.2 107 108 A P > - 0 0 0 0, 0.0 3,-2.6 0, 0.0 -1,-0.1 -0.421 36.6-107.4 -72.8 164.4 -8.6 -17.0 19.8 108 109 A P G > S+ 0 0 83 0, 0.0 3,-1.2 0, 0.0 -2,-0.1 0.745 115.3 70.1 -80.2 -10.5 -9.5 -14.1 17.8 109 110 A E G 3 S+ 0 0 70 1,-0.2 61,-0.0 3,-0.0 -3,-0.0 0.845 101.9 52.2 -53.0 -30.8 -7.7 -11.6 20.0 110 111 A L G < S+ 0 0 28 -3,-2.6 2,-0.4 4,-0.0 3,-0.3 -0.082 83.8 108.1-107.1 33.0 -4.6 -13.3 18.6 111 112 A I S < S+ 0 0 28 -3,-1.2 8,-0.1 1,-0.2 9,-0.0 -0.916 82.8 3.1-116.1 139.5 -5.1 -13.1 14.9 112 113 A D S S+ 0 0 74 -2,-0.4 740,-0.6 6,-0.1 -1,-0.2 0.818 102.5 98.4 65.6 38.7 -3.2 -10.9 12.5 113 114 A C S S- 0 0 1 -3,-0.3 744,-0.2 740,-0.1 740,-0.1 0.133 102.6 -88.9-146.6 22.4 -1.0 -9.5 15.1 114 115 A G S S+ 0 0 36 738,-0.2 711,-0.3 1,-0.2 739,-0.1 0.526 73.0 147.7 87.8 6.3 2.2 -11.5 14.9 115 116 A A > - 0 0 15 -5,-0.2 3,-0.6 1,-0.1 -1,-0.2 -0.253 50.4 -94.9 -68.2 160.7 1.5 -14.4 17.2 116 117 A N T 3 S+ 0 0 46 1,-0.2 836,-0.1 -37,-0.0 -1,-0.1 -0.413 98.6 4.9 -77.3 150.0 2.9 -17.9 16.7 117 118 A Q T 3 S+ 0 0 54 834,-0.4 2,-0.5 1,-0.2 -1,-0.2 0.891 99.2 135.3 53.2 39.7 1.2 -20.7 14.9 118 119 A A < + 0 0 7 -3,-0.6 2,-0.3 833,-0.3 -1,-0.2 -0.973 21.1 149.9-130.0 120.5 -1.5 -18.3 14.1 119 120 A I - 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0 0 18 1,-0.1 3,-1.9 4,-0.1 -740,-0.2 -0.764 53.5-168.5-102.8 97.8 2.8 -6.9 18.6 855 318 B P T 3 S+ 0 0 35 0, 0.0 -1,-0.1 0, 0.0 -741,-0.1 0.617 86.8 57.9 -68.0 -4.4 0.6 -9.7 19.8 856 319 B A T 3 S- 0 0 35 -743,-0.1 -2,-0.0 -21,-0.1 -746,-0.0 0.591 102.0-134.5 -91.0 -17.2 0.4 -7.8 23.3 857 320 B H < - 0 0 97 -3,-1.9 2,-0.2 -744,-0.2 3,-0.0 0.952 31.5-175.9 71.4 54.4 -1.1 -4.6 21.6 858 321 B H - 0 0 40 1,-0.1 2,-0.2 -4,-0.1 -1,-0.2 -0.534 37.3 -99.0 -79.5 152.1 1.0 -1.9 23.3 859 322 B R S S+ 0 0 201 -2,-0.2 -16,-1.3 -19,-0.2 2,-0.3 -0.555 86.1 86.3 -58.1 136.2 0.4 1.7 22.7 860 323 B G E S-x 843 0F 36 -18,-0.2 2,-0.3 -2,-0.2 -16,-0.2 -0.945 73.9 -62.9 161.6-146.1 3.1 2.5 20.2 861 324 B R E -x 844 0F 50 -18,-2.2 -16,-1.9 -2,-0.3 2,-0.5 -0.974 17.4-151.6-145.5 156.6 3.7 2.5 16.5 862 325 B R E -x 845 0F 54 -2,-0.3 2,-0.5 -18,-0.2 -16,-0.2 -0.981 23.4-168.7-130.6 106.6 4.0 0.1 13.7 863 326 B L E -x 846 0F 9 -18,-3.5 -16,-2.1 -2,-0.5 2,-0.8 -0.894 11.9-148.4-108.4 130.8 6.3 1.4 11.1 864 327 B I E +x 847 0F 24 -2,-0.5 -119,-2.5 -18,-0.2 2,-0.3 -0.832 46.0 116.8 -99.8 112.5 6.7 -0.2 7.6 865 328 B A S S- 0 0 2 -18,-1.5 2,-0.4 -2,-0.8 -16,-0.1 -0.966 70.9 -89.7-165.3 151.5 10.1 0.1 6.3 866 329 B N > - 0 0 50 -2,-0.3 4,-3.3 1,-0.1 5,-0.2 -0.567 43.0-135.6 -53.6 125.4 13.2 -1.6 5.1 867 330 B I H > S+ 0 0 3 -2,-0.4 4,-3.0 1,-0.3 5,-0.3 0.915 101.8 52.5 -63.0 -47.0 15.3 -1.8 8.3 868 331 B A H > S+ 0 0 15 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.936 114.5 44.4 -45.8 -51.4 18.5 -0.7 6.8 869 332 B D H > S+ 0 0 67 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.947 109.5 55.8 -66.6 -43.3 16.7 2.3 5.4 870 333 B W H X S+ 0 0 9 -4,-3.3 4,-1.2 1,-0.3 3,-0.3 0.925 105.0 51.5 -53.5 -51.6 14.9 3.0 8.6 871 334 B L H >< S+ 0 0 12 -4,-3.0 3,-0.7 1,-0.2 -1,-0.3 0.901 109.5 51.1 -54.3 -41.5 18.1 3.1 10.6 872 335 B E H 3< S+ 0 0 143 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.884 110.1 48.2 -62.1 -37.1 19.5 5.6 8.1 873 336 B L H 3< S+ 0 0 74 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.588 124.1 33.1 -79.9 -8.8 16.4 7.8 8.4 874 337 B H S << S- 0 0 1 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.1 -0.476 87.2-179.1-139.0 59.5 16.6 7.6 12.3 875 338 B P - 0 0 58 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.063 25.9-109.2 -68.0 164.3 20.4 7.4 13.0 876 339 B A - 0 0 26 3,-0.0 2,-0.4 -5,-0.0 -95,-0.1 -0.607 15.3-143.5 -97.1 159.3 21.8 7.2 16.5 877 340 B E - 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