==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 12-SEP-07 2VBG . COMPND 2 MOLECULE: BRANCHED-CHAIN ALPHA-KETOACID DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOCOCCUS LACTIS; . AUTHOR C.L.BERTHOLD,D.GOCKE,M.D.WOOD,F.LEEPER,M.POHL,G.SCHNEIDER . 1090 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37913.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 754 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 153 14.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 2.2 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 . 4 0.4 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 0.2 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 . 89 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 118 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 325 29.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 1.7 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 4 6 8 2 0 4 0 8 0 4 0 6 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 5 6 6 8 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 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 -14 A H > 0 0 193 0, 0.0 3,-1.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 147.6 -0.6 16.4 17.3 2 -13 A S T 3 + 0 0 137 1,-0.3 0, 0.0 2,-0.1 0, 0.0 0.878 360.0 59.0 -52.3 -43.0 -3.1 18.8 15.6 3 -12 A S T 3 S- 0 0 99 1,-0.1 -1,-0.3 2,-0.1 0, 0.0 0.629 114.5-117.3 -62.2 -18.4 -5.9 17.2 17.7 4 -11 A G < 0 0 67 -3,-1.7 -2,-0.1 1,-0.3 -1,-0.1 0.516 360.0 360.0 87.4 6.5 -4.1 18.3 20.9 5 -10 A L 0 0 173 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.597 360.0 360.0 -82.0 360.0 -3.6 14.6 22.1 6 ! 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 7 1 A M 0 0 160 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 129.5 16.3 7.2 19.1 8 2 A Y - 0 0 49 171,-0.2 171,-2.2 3,-0.0 2,-0.2 -0.622 360.0-166.6 -75.0 135.2 16.7 10.2 16.8 9 3 A T B > -A 178 0A 12 -2,-0.3 4,-1.9 169,-0.3 169,-0.2 -0.666 38.5-100.7-125.2 171.5 19.3 9.5 14.1 10 4 A V H > S+ 0 0 1 167,-2.2 4,-2.4 164,-0.4 165,-0.2 0.861 122.3 57.5 -59.8 -37.5 21.4 11.1 11.4 11 5 A G H > S+ 0 0 0 164,-2.4 4,-2.3 166,-0.2 -1,-0.2 0.902 106.0 48.4 -59.0 -44.0 18.8 9.9 8.9 12 6 A D H > S+ 0 0 41 163,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.874 110.0 52.9 -61.2 -41.3 16.1 11.8 10.8 13 7 A Y H X S+ 0 0 11 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.931 109.8 47.6 -61.4 -48.9 18.3 14.9 10.9 14 8 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.952 114.1 46.6 -57.3 -50.1 18.9 14.9 7.1 15 9 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.881 110.0 53.5 -64.8 -37.5 15.2 14.4 6.4 16 10 A D H X S+ 0 0 23 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.923 110.1 48.0 -60.3 -44.1 14.2 17.2 8.9 17 11 A R H X S+ 0 0 10 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.876 110.0 51.6 -65.7 -38.8 16.6 19.6 7.0 18 12 A L H <>S+ 0 0 0 -4,-2.2 5,-1.9 2,-0.2 4,-0.2 0.898 108.1 52.3 -64.6 -40.0 15.2 18.6 3.6 19 13 A H H ><5S+ 0 0 86 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.906 105.2 55.5 -58.6 -43.3 11.6 19.3 5.0 20 14 A E H 3<5S+ 0 0 80 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.838 101.8 57.8 -57.5 -36.3 12.8 22.7 6.1 21 15 A L T 3<5S- 0 0 27 -4,-1.4 -1,-0.3 -3,-0.1 -2,-0.2 0.499 124.2-105.3 -72.7 -5.6 14.0 23.3 2.5 22 16 A G T < 5S+ 0 0 33 -3,-1.8 2,-0.4 1,-0.3 -3,-0.2 0.470 70.3 148.1 94.2 5.2 10.4 22.7 1.3 23 17 A I < + 0 0 0 -5,-1.9 -1,-0.3 1,-0.1 49,-0.1 -0.610 13.5 163.8 -78.3 123.6 11.0 19.2 -0.2 24 18 A E + 0 0 89 -2,-0.4 24,-2.0 1,-0.2 2,-0.3 0.366 64.0 47.9-117.6 -2.2 7.9 16.9 0.1 25 19 A E E -b 48 0B 34 22,-0.2 48,-0.5 25,-0.0 2,-0.4 -0.996 62.6-158.7-142.8 135.6 9.0 14.2 -2.4 26 20 A I E -b 49 0B 0 22,-2.5 24,-2.9 -2,-0.3 48,-0.2 -0.984 14.2-161.5-118.7 129.5 12.3 12.3 -2.8 27 21 A F E +bc 50 74B 0 46,-1.9 48,-2.4 -2,-0.4 2,-0.3 -0.372 33.4 81.1 -97.9 175.8 13.1 10.7 -6.2 28 22 A G E -bc 51 75B 0 22,-0.6 24,-3.3 46,-0.2 48,-0.2 -0.785 66.9 -69.0 130.3-165.5 15.6 8.0 -7.2 29 23 A V - 0 0 2 46,-1.6 48,-0.1 -2,-0.3 24,-0.1 -0.997 42.7-121.0-134.5 132.6 16.3 4.2 -7.3 30 24 A P + 0 0 13 0, 0.0 2,-0.3 0, 0.0 47,-0.2 -0.292 29.9 172.6 -72.0 159.3 16.9 1.9 -4.4 31 25 A G >> - 0 0 5 45,-0.1 3,-2.7 1,-0.1 4,-0.8 -0.961 48.5 -99.6-155.4 163.2 20.0 -0.2 -3.7 32 26 A D G >4 S+ 0 0 5 1,-0.3 3,-0.7 -2,-0.3 4,-0.4 0.853 120.0 60.6 -56.7 -32.6 21.2 -2.4 -0.9 33 27 A Y G 34 S+ 0 0 2 1,-0.2 -1,-0.3 71,-0.2 72,-0.3 0.482 115.2 32.7 -72.3 -4.0 23.5 0.4 0.4 34 28 A N G <> S+ 0 0 3 -3,-2.7 4,-2.4 70,-0.2 -1,-0.2 0.352 85.6 100.9-130.4 6.3 20.5 2.8 0.9 35 29 A L H S+ 0 0 60 -4,-0.4 4,-1.0 2,-0.2 -1,-0.2 0.890 112.8 45.8 -65.7 -39.2 17.7 1.3 5.7 37 31 A F H > S+ 0 0 7 1,-0.2 4,-1.6 2,-0.2 3,-0.5 0.893 108.0 58.2 -67.5 -39.7 17.7 5.0 5.0 38 32 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.885 98.3 59.9 -55.1 -41.9 14.8 4.4 2.6 39 33 A D H X S+ 0 0 35 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.887 104.1 51.0 -49.9 -42.9 12.8 2.9 5.5 40 34 A Q H X S+ 0 0 36 -4,-1.0 4,-0.9 -3,-0.5 -1,-0.2 0.861 109.0 49.8 -66.3 -37.3 13.2 6.2 7.2 41 35 A I H >< S+ 0 0 0 -4,-1.6 3,-0.8 2,-0.2 -2,-0.2 0.933 110.7 50.2 -64.2 -46.6 11.9 8.0 4.1 42 36 A I H 3< S+ 0 0 53 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.883 107.5 54.4 -58.9 -40.9 8.9 5.6 3.9 43 37 A S H 3< S+ 0 0 97 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.716 84.8 105.8 -68.4 -22.4 8.1 6.2 7.6 44 38 A R << - 0 0 38 -4,-0.9 3,-0.4 -3,-0.8 -3,-0.0 -0.375 55.3-160.2 -61.9 131.1 7.9 10.0 7.2 45 39 A E S S+ 0 0 185 1,-0.2 -1,-0.1 -2,-0.1 -4,-0.0 0.740 90.6 50.9 -76.5 -23.4 4.4 11.5 7.3 46 40 A D S S+ 0 0 46 1,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.274 109.3 46.1-105.1 8.3 5.5 14.7 5.6 47 41 A M - 0 0 12 -3,-0.4 2,-0.4 -6,-0.2 -22,-0.2 -0.994 63.7-145.1-156.5 147.5 7.4 13.3 2.6 48 42 A K E -b 25 0B 103 -24,-2.0 -22,-2.5 -2,-0.3 2,-0.5 -0.910 14.5-132.5-115.8 133.8 6.9 10.6 -0.1 49 43 A W E -b 26 0B 23 -2,-0.4 2,-0.5 -24,-0.2 -22,-0.2 -0.740 21.1-171.4 -76.2 125.9 9.3 8.3 -1.8 50 44 A I E -b 27 0B 2 -24,-2.9 -22,-0.6 -2,-0.5 2,-0.2 -0.872 14.4-152.1-120.4 94.8 8.7 8.4 -5.6 51 45 A G E -b 28 0B 10 -2,-0.5 -22,-0.2 -24,-0.2 2,-0.2 -0.458 6.6-149.8 -76.2 135.8 10.8 5.6 -7.1 52 46 A N - 0 0 5 -24,-3.3 3,-0.1 -2,-0.2 387,-0.1 -0.526 21.9-122.6 -97.4 165.5 12.1 6.0 -10.7 53 47 A A S S+ 0 0 6 1,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.912 95.6 4.9 -71.8 -44.4 12.8 3.3 -13.3 54 48 A N S > S- 0 0 6 382,-0.1 4,-1.5 928,-0.1 -1,-0.2 -0.905 71.7-116.1-138.6 169.4 16.4 4.6 -13.7 55 49 A E H > S+ 0 0 11 -2,-0.3 4,-2.3 2,-0.2 5,-0.2 0.796 108.9 57.9 -79.5 -34.6 18.8 7.1 -12.0 56 50 A L H > S+ 0 0 12 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.957 111.0 46.2 -57.2 -46.8 19.4 9.5 -15.0 57 51 A N H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.882 109.2 54.2 -63.7 -39.5 15.6 10.0 -15.1 58 52 A A H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.893 108.7 49.4 -57.9 -43.2 15.5 10.5 -11.3 59 53 A S H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.911 112.7 46.7 -65.5 -43.9 18.2 13.3 -11.7 60 54 A Y H X S+ 0 0 1 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.891 112.4 50.9 -59.9 -44.0 16.2 14.9 -14.5 61 55 A M H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.903 108.9 50.1 -62.8 -43.7 13.0 14.6 -12.4 62 56 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.879 108.4 54.3 -61.8 -39.3 14.6 16.2 -9.3 63 57 A D H X S+ 0 0 1 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.947 109.7 46.1 -59.1 -52.2 15.8 19.1 -11.6 64 58 A G H X S+ 0 0 0 -4,-2.1 4,-0.9 2,-0.2 -2,-0.2 0.885 112.0 51.6 -57.5 -42.0 12.3 19.8 -12.8 65 59 A Y H >X S+ 0 0 0 -4,-2.1 4,-3.9 1,-0.2 3,-0.8 0.916 108.8 51.7 -61.1 -45.1 10.9 19.6 -9.3 66 60 A A H 3X S+ 0 0 1 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.854 102.0 59.6 -60.5 -39.6 13.6 22.1 -8.2 67 61 A R H 3< S+ 0 0 24 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.799 121.6 25.3 -59.2 -28.7 12.6 24.5 -10.9 68 62 A T H << S+ 0 0 22 -4,-0.9 -2,-0.2 -3,-0.8 -1,-0.2 0.821 130.0 38.5-103.6 -44.6 9.1 24.7 -9.5 69 63 A K H < S- 0 0 55 -4,-3.9 -3,-0.2 -5,-0.2 -2,-0.2 0.678 98.9-130.4 -82.1 -21.0 9.5 23.8 -5.8 70 64 A K S < S+ 0 0 47 -4,-1.8 2,-0.3 -5,-0.5 -4,-0.2 0.470 84.3 48.1 78.5 7.4 12.8 25.7 -5.5 71 65 A A + 0 0 4 -6,-0.3 2,-0.3 -49,-0.1 28,-0.2 -0.920 65.2 176.3-161.7 155.0 14.5 22.8 -3.8 72 66 A A E - d 0 99B 0 26,-1.6 28,-2.7 -2,-0.3 2,-0.3 -0.988 10.4-162.5-156.5 160.2 14.8 19.1 -4.6 73 67 A A E - d 0 100B 0 -48,-0.5 -46,-1.9 -2,-0.3 2,-0.3 -0.996 5.0-178.7-146.4 143.8 16.4 15.8 -3.6 74 68 A F E -cd 27 101B 1 26,-2.4 28,-2.8 -2,-0.3 2,-0.4 -0.973 16.4-140.0-139.4 158.2 17.1 12.3 -5.0 75 69 A L E +cd 28 102B 1 -48,-2.4 -46,-1.6 -2,-0.3 2,-0.3 -0.953 22.5 169.1-121.1 131.1 18.7 9.1 -3.7 76 70 A T E - d 0 103B 0 26,-2.7 28,-2.6 -2,-0.4 2,-0.3 -0.836 32.5-106.3-129.5 170.9 21.0 6.7 -5.5 77 71 A T E >> - d 0 104B 5 -2,-0.3 5,-1.8 26,-0.2 4,-1.0 -0.720 51.9 -77.7 -95.9 151.7 23.2 3.8 -4.6 78 72 A F T 45S- 0 0 1 26,-2.1 2,-1.9 -2,-0.3 3,-0.4 -0.092 98.5 -17.8 -44.7 135.4 27.0 3.9 -4.6 79 73 A G T >5S+ 0 0 0 1,-0.2 4,-2.4 2,-0.1 5,-0.3 -0.435 136.0 47.1 71.6 -80.0 28.9 3.8 -7.9 80 74 A V H >5S+ 0 0 8 -2,-1.9 4,-0.9 870,-0.2 -1,-0.2 0.848 118.2 40.3 -69.8 -36.5 26.3 2.5 -10.3 81 75 A G H X5S+ 0 0 0 -4,-1.0 4,-1.4 -3,-0.4 -3,-0.2 0.958 118.4 44.3 -74.0 -55.5 23.4 4.8 -9.2 82 76 A E H >X S+ 0 0 0 -4,-1.4 4,-1.9 -3,-0.4 3,-0.9 0.534 85.0 96.3 -89.5 -9.9 22.7 10.2 -12.5 86 80 A I H 3X S+ 0 0 0 -4,-0.8 4,-2.4 -3,-0.4 -1,-0.2 0.786 79.0 56.3 -64.9 -31.6 25.8 12.5 -13.0 87 81 A N H 3> S+ 0 0 0 545,-0.4 4,-1.8 -4,-0.3 -1,-0.3 0.864 108.6 49.3 -63.4 -36.9 24.6 14.0 -16.4 88 82 A G H <> S+ 0 0 1 -3,-0.9 4,-1.9 2,-0.2 -2,-0.2 0.928 111.8 47.6 -65.6 -43.6 21.4 15.1 -14.7 89 83 A L H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.878 108.2 55.9 -66.5 -36.5 23.4 16.7 -11.8 90 84 A A H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.900 107.3 49.4 -59.7 -43.7 25.7 18.3 -14.4 91 85 A G H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.886 108.9 52.3 -60.4 -41.9 22.6 20.0 -16.0 92 86 A S H <>S+ 0 0 0 -4,-1.9 5,-2.9 2,-0.2 4,-0.3 0.813 112.0 46.8 -63.0 -34.4 21.4 21.2 -12.6 93 87 A Y H ><5S+ 0 0 56 -4,-1.8 3,-0.6 3,-0.2 -2,-0.2 0.936 112.0 50.1 -71.3 -47.7 24.9 22.7 -12.1 94 88 A A H 3<5S+ 0 0 2 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.927 121.1 33.2 -55.7 -49.4 25.0 24.3 -15.5 95 89 A E T 3<5S- 0 0 4 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.341 113.3-117.6 -98.5 7.2 21.5 25.9 -15.1 96 90 A N T < 5 + 0 0 2 -3,-0.6 -3,-0.2 -4,-0.3 -4,-0.1 0.949 49.7 164.5 66.5 59.7 21.9 26.5 -11.4 97 91 A L < - 0 0 5 -5,-2.9 2,-1.9 2,-0.1 -1,-0.2 -0.903 42.6-120.4-111.2 134.3 19.1 24.4 -9.8 98 92 A P + 0 0 0 0, 0.0 -26,-1.6 0, 0.0 2,-0.5 -0.499 51.2 156.2 -77.9 80.2 19.2 23.5 -6.0 99 93 A V E -d 72 0B 0 -2,-1.9 67,-1.9 -28,-0.2 2,-0.6 -0.909 30.3-153.2-108.9 130.2 19.2 19.7 -6.2 100 94 A V E -de 73 166B 0 -28,-2.7 -26,-2.4 -2,-0.5 2,-0.6 -0.885 7.1-161.3 -97.4 121.7 20.6 17.5 -3.4 101 95 A E E -de 74 167B 0 65,-2.6 67,-2.8 -2,-0.6 2,-0.5 -0.926 3.4-163.9 -99.2 126.1 21.9 14.1 -4.4 102 96 A I E -de 75 168B 0 -28,-2.8 -26,-2.7 -2,-0.6 2,-0.5 -0.937 3.6-163.8-105.5 126.8 22.2 11.5 -1.5 103 97 A V E -de 76 169B 0 65,-2.9 67,-3.2 -2,-0.5 2,-0.4 -0.955 11.2-144.0-114.2 114.9 24.3 8.5 -2.3 104 98 A G E -de 77 170B 2 -28,-2.6 -26,-2.1 -2,-0.5 -70,-0.2 -0.639 27.8-176.4 -74.5 130.2 24.0 5.4 -0.0 105 99 A S E - e 0 171B 0 65,-1.6 67,-1.9 -2,-0.4 3,-0.1 -0.787 30.3 -77.5-126.9 165.9 27.4 3.8 0.4 106 100 A P - 0 0 1 0, 0.0 -1,-0.1 0, 0.0 989,-0.1 -0.120 65.6 -74.8 -59.8 162.0 28.8 0.7 2.1 107 101 A T > - 0 0 6 987,-0.3 4,-2.3 64,-0.2 5,-0.2 -0.155 43.0-110.5 -54.5 153.0 29.3 0.6 5.9 108 102 A S H > S+ 0 0 48 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.864 119.3 52.7 -51.0 -41.9 32.2 2.5 7.4 109 103 A K H > S+ 0 0 141 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.912 107.6 49.5 -65.2 -44.4 33.9 -0.8 8.3 110 104 A V H >>S+ 0 0 13 2,-0.2 5,-1.6 1,-0.2 4,-0.6 0.918 114.1 46.9 -59.6 -42.7 33.6 -2.2 4.7 111 105 A Q H ><5S+ 0 0 24 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.934 113.7 46.9 -64.5 -46.5 35.1 1.1 3.4 112 106 A N H 3<5S+ 0 0 140 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.799 109.4 54.8 -67.1 -30.9 37.9 1.1 5.9 113 107 A D H 3<5S- 0 0 79 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.576 105.3-131.0 -76.0 -11.8 38.7 -2.5 5.2 114 108 A G T <<5 - 0 0 22 -3,-1.0 -3,-0.2 -4,-0.6 11,-0.1 0.796 38.5-176.0 65.9 32.8 39.1 -1.8 1.5 115 109 A K < - 0 0 71 -5,-1.6 2,-1.8 9,-0.1 9,-0.2 -0.294 33.9-122.5 -69.8 144.0 36.8 -4.7 0.5 116 110 A F + 0 0 66 717,-0.3 719,-1.9 6,-0.1 2,-0.2 -0.558 54.7 160.0 -83.2 73.7 36.2 -5.6 -3.1 117 111 A V > - 0 0 0 -2,-1.8 3,-0.6 717,-0.2 5,-0.3 -0.494 46.4 -73.9 -96.8 166.5 32.4 -5.2 -2.9 118 112 A H T 3 S+ 0 0 13 1,-0.2 832,-0.2 -2,-0.2 -1,-0.2 -0.227 114.3 32.6 -59.9 146.7 29.8 -4.7 -5.6 119 113 A H T 3 S+ 0 0 16 830,-2.4 2,-0.3 1,-0.3 -1,-0.2 0.742 102.1 100.6 73.3 27.8 29.6 -1.2 -7.3 120 114 A T S < S- 0 0 1 -3,-0.6 -1,-0.3 829,-0.6 6,-0.1 -0.812 82.8-117.1-128.1 174.1 33.4 -0.7 -6.9 121 115 A L - 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