==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-JUL-05 2A7M . COMPND 2 MOLECULE: N-ACYL HOMOSERINE LACTONE HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THURINGIENSIS SEROVAR KURSTAK . AUTHOR D.LIU,B.W.LEPORE,G.A.PETSKO,P.W.THOMAS,E.M.STONE,W.FAST,D.RI . 250 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11042.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 16.4 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 . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 23 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 39 15.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 2 1 0 1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 1 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 PARALLEL BRIDGES PER LADDER . 0 0 1 1 3 0 0 0 0 0 1 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 1 1 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 1 A M 0 0 129 0, 0.0 2,-0.3 0, 0.0 178,-0.1 0.000 360.0 360.0 360.0 145.3 38.8 17.7 36.0 2 2 A T - 0 0 50 158,-0.1 41,-0.3 176,-0.1 2,-0.3 -0.798 360.0 -95.4-118.9 160.8 36.0 19.7 37.6 3 3 A V B -a 180 0A 1 176,-3.3 178,-2.8 -2,-0.3 179,-0.3 -0.600 29.4-143.6 -71.1 137.1 34.8 23.4 37.3 4 4 A K S S+ 0 0 85 37,-1.9 2,-0.3 1,-0.3 178,-0.3 0.933 77.0 2.1 -71.4 -46.8 36.4 25.4 40.2 5 5 A K E -F 41 0B 69 36,-1.3 36,-2.7 176,-0.1 2,-0.5 -0.998 54.9-160.0-144.9 137.1 33.3 27.7 40.8 6 6 A L E -F 40 0B 0 244,-1.9 244,-2.5 -2,-0.3 2,-0.4 -0.983 19.6-165.7-116.4 116.4 29.9 28.0 39.3 7 7 A Y E -F 39 0B 24 32,-2.9 32,-1.9 -2,-0.5 2,-0.6 -0.882 14.7-149.6-105.5 133.8 28.3 31.4 40.0 8 8 A F E -F 38 0B 3 -2,-0.4 238,-2.6 240,-0.4 30,-0.2 -0.907 22.3-169.0 -96.2 118.1 24.6 32.3 39.5 9 9 A I E -F 37 0B 8 28,-2.9 28,-2.1 -2,-0.6 2,-0.1 -0.925 19.1-133.5-119.0 108.7 24.4 35.9 38.5 10 10 A P E -F 36 0B 62 0, 0.0 26,-0.2 0, 0.0 3,-0.1 -0.372 21.1-174.1 -55.2 132.0 21.2 37.9 38.5 11 11 A A E - 0 0 0 24,-3.1 42,-0.5 1,-0.6 2,-0.2 -0.268 52.3 -73.8-126.8 45.1 21.0 39.8 35.2 12 12 A G E - 0 0 9 23,-0.2 23,-2.1 40,-0.1 -1,-0.6 -0.491 58.6 -95.3 88.6-168.4 17.9 41.9 35.6 13 13 A R E -FG 34 76B 67 63,-2.4 63,-3.0 21,-0.2 2,-0.3 -0.842 21.0-147.9-142.8 171.3 14.3 40.6 35.5 14 14 A C E -FG 33 75B 1 19,-2.4 19,-2.4 61,-0.3 2,-0.4 -0.947 13.3-135.3-152.1 130.1 11.4 40.2 33.0 15 15 A M E +FG 32 74B 40 59,-3.3 59,-2.3 -2,-0.3 2,-0.3 -0.733 30.8 169.4 -81.5 130.1 7.7 40.3 33.4 16 16 A L E -FG 31 73B 18 15,-1.7 15,-3.2 -2,-0.4 57,-0.2 -0.944 42.9 -94.3-131.1 154.0 5.8 37.5 31.5 17 17 A D E > -F 30 0B 20 55,-0.9 3,-2.6 -2,-0.3 4,-0.3 -0.416 39.0-115.3 -61.5 144.6 2.1 36.5 31.8 18 18 A H G >> S+ 0 0 35 11,-3.1 3,-1.1 1,-0.3 4,-0.8 0.688 112.3 73.7 -61.2 -16.0 1.7 33.7 34.3 19 19 A S G 34 S+ 0 0 30 1,-0.2 -1,-0.3 10,-0.2 6,-0.1 0.606 82.3 73.2 -69.2 -11.0 0.5 31.4 31.4 20 20 A S G <4 S+ 0 0 22 -3,-2.6 186,-2.4 1,-0.2 -1,-0.2 0.779 103.7 36.0 -71.8 -28.9 4.2 31.4 30.4 21 21 A V T <4 S+ 0 0 20 -3,-1.1 2,-0.2 1,-0.3 -1,-0.2 0.547 135.4 24.0 -98.2 -13.8 5.1 29.1 33.3 22 22 A N >< - 0 0 47 -4,-0.8 3,-2.6 3,-0.1 -1,-0.3 -0.703 66.3-161.4-154.3 97.4 1.8 27.1 33.1 23 23 A S T 3 S+ 0 0 64 181,-1.8 182,-0.1 1,-0.3 -4,-0.1 0.613 90.0 64.2 -57.9 -15.7 0.0 27.1 29.7 24 24 A A T 3 S+ 0 0 82 180,-0.3 -1,-0.3 2,-0.1 -5,-0.1 0.648 81.2 100.9 -83.0 -16.6 -3.2 26.0 31.5 25 25 A L S < S- 0 0 66 -3,-2.6 -3,-0.1 -7,-0.2 -6,-0.0 -0.384 82.1-111.3 -70.8 146.7 -3.4 29.3 33.5 26 26 A T - 0 0 119 1,-0.1 3,-0.2 -2,-0.1 -8,-0.1 -0.703 38.2-112.5 -80.4 121.4 -5.8 32.0 32.3 27 27 A P S S+ 0 0 91 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.217 82.0 88.4 -55.0 140.8 -3.9 35.1 31.0 28 28 A G + 0 0 61 1,-0.2 2,-0.4 0, 0.0 -11,-0.0 0.363 66.1 79.7 148.7 -1.9 -4.2 38.3 33.0 29 29 A K - 0 0 144 -3,-0.2 -11,-3.1 2,-0.0 -1,-0.2 -0.981 63.2-144.9-134.2 121.1 -1.5 38.3 35.7 30 30 A L E -F 17 0B 74 -2,-0.4 2,-0.4 -13,-0.3 -13,-0.3 -0.575 8.9-149.6 -82.7 148.8 2.1 39.2 35.1 31 31 A L E -F 16 0B 40 -15,-3.2 -15,-1.7 -2,-0.2 2,-1.2 -0.977 13.3-135.1-117.9 129.9 5.0 37.5 36.9 32 32 A N E -F 15 0B 61 -2,-0.4 -17,-0.2 -17,-0.2 -15,-0.0 -0.708 37.0-169.9 -85.4 95.0 8.3 39.2 37.7 33 33 A L E -F 14 0B 2 -19,-2.4 -19,-2.4 -2,-1.2 2,-0.1 -0.629 20.9-110.9 -94.6 145.3 10.7 36.5 36.6 34 34 A P E -F 13 0B 3 0, 0.0 2,-0.5 0, 0.0 -21,-0.2 -0.424 20.1-150.9 -71.7 141.1 14.5 36.3 37.2 35 35 A V E - 0 0 0 -23,-2.1 -24,-3.1 -2,-0.1 2,-0.4 -0.964 23.5-164.6-106.9 132.3 16.9 36.6 34.3 36 36 A W E -F 10 0B 15 -2,-0.5 16,-0.4 -26,-0.2 2,-0.3 -0.889 24.0-178.5-117.5 147.7 20.2 34.7 34.9 37 37 A C E -F 9 0B 0 -28,-2.1 -28,-2.9 -2,-0.4 2,-0.4 -0.910 20.9-146.7-125.0 165.2 23.6 34.4 33.6 38 38 A Y E -FH 8 49B 3 11,-2.0 11,-3.2 -2,-0.3 2,-0.5 -0.985 2.7-153.4-131.7 142.7 26.2 32.0 35.0 39 39 A L E -FH 7 48B 0 -32,-1.9 -32,-2.9 -2,-0.4 2,-0.6 -0.971 7.5-163.7-119.7 125.9 29.9 32.3 35.3 40 40 A L E -FH 6 47B 0 7,-3.0 7,-2.6 -2,-0.5 2,-0.7 -0.943 6.8-155.7-110.3 120.0 32.1 29.2 35.3 41 41 A E E +FH 5 46B 25 -36,-2.7 -37,-1.9 -2,-0.6 -36,-1.3 -0.884 29.1 170.2 -92.8 116.1 35.6 29.5 36.6 42 42 A T E > - H 0 45B 6 3,-0.9 3,-1.0 -2,-0.7 -39,-0.1 -0.816 50.5-105.3-124.0 164.3 37.6 26.7 35.0 43 43 A E T 3 S+ 0 0 131 -41,-0.3 -1,-0.1 -2,-0.3 -40,-0.1 0.837 122.5 49.8 -55.0 -32.7 41.2 25.6 34.7 44 44 A E T 3 S- 0 0 93 1,-0.3 -1,-0.2 -3,-0.0 -3,-0.0 0.603 127.0 -78.0 -85.6 -14.9 41.1 26.9 31.0 45 45 A G E < -H 42 0B 17 -3,-1.0 -3,-0.9 2,-0.0 -1,-0.3 -0.761 63.6 -44.8 136.8 173.7 39.6 30.3 31.8 46 46 A P E -H 41 0B 15 0, 0.0 52,-3.0 0, 0.0 53,-0.8 -0.570 47.4-161.5 -80.3 141.6 36.3 31.9 32.7 47 47 A I E -Hi 40 99B 0 -7,-2.6 -7,-3.0 -2,-0.3 2,-0.5 -0.977 4.6-151.0-125.1 132.2 33.2 30.9 30.7 48 48 A L E -Hi 39 100B 0 51,-2.4 53,-2.7 -2,-0.4 2,-0.7 -0.898 2.2-154.7-108.6 127.7 30.0 32.9 30.6 49 49 A V E -Hi 38 101B 0 -11,-3.2 -11,-2.0 -2,-0.5 53,-0.2 -0.904 67.1 -15.7-104.1 112.6 26.6 31.3 30.1 50 50 A D - 0 0 1 51,-2.6 -12,-0.2 -2,-0.7 60,-0.2 0.280 60.9-129.4 69.0 159.2 24.2 33.7 28.5 51 51 A T - 0 0 0 58,-2.3 32,-0.4 1,-0.3 59,-0.2 0.157 36.1-122.6-134.6 20.6 24.5 37.5 28.4 52 52 A G - 0 0 0 -16,-0.4 59,-1.7 56,-0.3 60,-0.8 -0.194 52.7 -27.5 72.4-160.7 21.3 39.1 29.7 53 53 A M - 0 0 4 -42,-0.5 30,-0.3 28,-0.3 55,-0.2 -0.455 68.9 -92.9 -95.5 160.2 19.0 41.5 27.9 54 54 A P > - 0 0 0 0, 0.0 3,-2.3 0, 0.0 4,-0.4 -0.290 33.5-108.9 -73.2 156.9 19.7 44.0 25.1 55 55 A E G > S+ 0 0 128 56,-0.4 3,-1.4 1,-0.3 57,-0.1 0.777 117.0 67.5 -46.0 -35.1 20.6 47.7 25.7 56 56 A S G 3 S+ 0 0 25 1,-0.3 -1,-0.3 55,-0.1 -3,-0.0 0.683 92.5 59.3 -64.8 -20.6 17.2 48.6 24.3 57 57 A A G X S+ 0 0 0 -3,-2.3 3,-1.7 2,-0.1 20,-0.6 0.604 76.0 117.1 -84.1 -11.9 15.5 47.0 27.3 58 58 A V B < S-l 77 0C 21 -3,-1.4 20,-0.2 -4,-0.4 21,-0.0 -0.398 99.9 -17.5 -62.8 122.8 17.3 49.4 29.8 59 59 A N T 3 S+ 0 0 126 18,-3.1 -1,-0.3 -2,-0.2 19,-0.1 0.842 115.5 111.4 47.3 41.3 14.7 51.5 31.6 60 60 A N X + 0 0 63 -3,-1.7 3,-1.6 17,-0.3 -1,-0.1 -0.510 30.0 162.3-147.5 66.4 12.3 50.5 28.8 61 61 A E T 3 S+ 0 0 96 1,-0.3 3,-0.5 13,-0.2 -1,-0.1 0.765 79.9 61.7 -55.2 -28.5 9.5 48.2 30.0 62 62 A G T > + 0 0 25 1,-0.2 3,-2.0 12,-0.1 -1,-0.3 0.060 63.9 123.3 -90.4 24.2 7.6 49.1 26.9 63 63 A L T < S+ 0 0 32 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.854 76.8 46.8 -50.1 -39.0 10.2 47.6 24.6 64 64 A F T > S+ 0 0 21 -3,-0.5 3,-1.5 9,-0.5 5,-0.3 0.236 79.2 127.4 -98.4 14.0 7.7 45.3 23.0 65 65 A N T < S+ 0 0 101 -3,-2.0 3,-0.1 1,-0.2 -3,-0.0 -0.467 75.1 25.8 -62.5 140.7 4.9 47.9 22.5 66 66 A G T 3 S+ 0 0 74 1,-0.3 -1,-0.2 -2,-0.1 2,-0.2 0.352 106.3 101.9 83.7 -4.9 3.8 47.9 18.8 67 67 A T S X S- 0 0 58 -3,-1.5 3,-1.6 1,-0.0 -1,-0.3 -0.542 91.4 -98.3-105.2 173.1 4.8 44.3 18.4 68 68 A F T 3 S+ 0 0 118 1,-0.3 -3,-0.1 -2,-0.2 68,-0.0 0.522 123.6 51.0 -65.8 -5.7 2.9 41.0 18.3 69 69 A V T >> S+ 0 0 16 -5,-0.3 3,-1.9 4,-0.1 4,-1.0 0.111 75.5 152.3-122.9 20.4 3.9 40.5 22.0 70 70 A E T <4 S+ 0 0 109 -3,-1.6 -5,-0.1 1,-0.3 4,-0.1 -0.253 75.2 4.8 -51.4 131.2 2.8 43.9 23.4 71 71 A G T 34 S+ 0 0 43 2,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.345 115.7 83.6 73.9 -7.0 1.9 43.6 27.1 72 72 A Q T <4 S+ 0 0 104 -3,-1.9 -55,-0.9 1,-0.3 2,-0.4 0.629 94.8 35.2 -99.5 -21.0 3.0 40.0 27.3 73 73 A I E < +G 16 0B 38 -4,-1.0 -9,-0.5 -57,-0.2 -2,-0.3 -0.961 61.8 170.7-137.6 118.4 6.8 40.7 27.8 74 74 A L E -G 15 0B 38 -59,-2.3 -59,-3.3 -2,-0.4 -13,-0.2 -0.921 24.3-143.1-129.8 104.9 8.1 43.6 29.8 75 75 A P E -G 14 0B 0 0, 0.0 2,-0.6 0, 0.0 -61,-0.3 -0.415 3.1-155.5 -66.6 140.0 11.8 43.6 30.6 76 76 A K E +G 13 0B 69 -63,-3.0 -63,-2.4 -2,-0.1 2,-0.4 -0.824 38.7 146.4-114.3 86.5 12.9 44.9 34.0 77 77 A M B -l 58 0C 7 -20,-0.6 -18,-3.1 -2,-0.6 -17,-0.3 -0.984 27.1-170.1-133.6 129.7 16.4 46.1 33.3 78 78 A T > - 0 0 58 -2,-0.4 3,-1.7 -20,-0.2 4,-0.3 -0.612 46.6 -95.3-106.0 171.8 18.5 48.9 34.7 79 79 A E G > S+ 0 0 95 1,-0.3 3,-1.5 -2,-0.2 6,-0.2 0.866 124.4 62.7 -50.8 -36.5 21.9 50.3 33.5 80 80 A E G 3 S+ 0 0 128 1,-0.3 -1,-0.3 5,-0.1 -68,-0.1 0.691 95.3 60.6 -63.6 -21.0 23.4 48.0 36.2 81 81 A D G < S+ 0 0 26 -3,-1.7 -28,-0.3 4,-0.1 -1,-0.3 0.433 70.6 117.4 -92.7 -3.1 22.1 44.9 34.4 82 82 A R S X> S- 0 0 81 -3,-1.5 4,-2.2 -4,-0.3 3,-0.6 -0.472 75.3-122.4 -61.2 136.6 24.0 45.4 31.2 83 83 A I H 3> S+ 0 0 6 -32,-0.4 4,-2.8 -30,-0.3 5,-0.2 0.832 109.4 54.7 -60.4 -32.6 26.3 42.4 30.8 84 84 A V H 3> S+ 0 0 59 2,-0.2 4,-2.7 1,-0.2 -1,-0.3 0.908 109.8 48.1 -69.0 -34.5 29.5 44.5 30.6 85 85 A N H <> S+ 0 0 50 -3,-0.6 4,-2.4 -6,-0.2 -2,-0.2 0.913 111.6 50.0 -67.7 -43.3 28.6 46.2 33.9 86 86 A I H X S+ 0 0 2 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.949 114.7 44.6 -53.3 -53.2 27.8 42.9 35.5 87 87 A L H X>S+ 0 0 0 -4,-2.8 5,-3.2 1,-0.2 4,-2.4 0.883 111.1 53.1 -62.4 -41.8 31.1 41.5 34.3 88 88 A K H <5S+ 0 0 123 -4,-2.7 -1,-0.2 3,-0.2 -2,-0.2 0.925 110.0 47.9 -61.8 -43.2 33.0 44.6 35.4 89 89 A R H <5S+ 0 0 143 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.891 113.1 48.3 -64.5 -39.0 31.6 44.4 38.9 90 90 A V H <5S- 0 0 32 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.834 128.2-100.3 -68.3 -33.2 32.5 40.7 39.1 91 91 A G T <5S+ 0 0 51 -4,-2.4 2,-0.3 1,-0.3 -3,-0.2 0.638 81.8 106.0 119.7 26.5 36.0 41.6 37.8 92 92 A Y < - 0 0 43 -5,-3.2 -1,-0.3 -8,-0.1 -2,-0.1 -0.951 49.0-150.7-130.2 151.4 36.1 40.8 34.0 93 93 A E > - 0 0 102 -2,-0.3 3,-2.2 -5,-0.1 4,-0.5 -0.834 41.6-103.1-107.0 155.8 36.1 42.6 30.7 94 94 A P G > S+ 0 0 27 0, 0.0 3,-1.5 0, 0.0 25,-0.1 0.847 119.9 55.7 -46.7 -43.0 34.5 40.8 27.6 95 95 A D G 3 S+ 0 0 104 1,-0.3 21,-0.0 23,-0.1 -3,-0.0 0.619 94.5 70.3 -71.8 -10.0 37.9 39.9 26.0 96 96 A D G < S+ 0 0 81 -3,-2.2 -1,-0.3 23,-0.0 2,-0.1 0.699 79.0 101.8 -71.1 -23.9 38.9 38.0 29.3 97 97 A L < - 0 0 10 -3,-1.5 -50,-0.2 -4,-0.5 3,-0.1 -0.406 59.5-156.8 -76.4 139.5 36.4 35.3 28.6 98 98 A L S S- 0 0 52 -52,-3.0 2,-0.3 1,-0.3 -51,-0.2 0.925 77.5 -7.4 -72.5 -49.2 37.3 31.9 27.2 99 99 A Y E -i 47 0B 39 -53,-0.8 -51,-2.4 20,-0.1 2,-0.4 -0.990 52.5-143.4-144.7 151.3 33.9 31.2 25.8 100 100 A I E -ij 48 121B 0 20,-2.6 22,-3.5 -2,-0.3 2,-0.5 -0.962 19.8-157.3-103.9 137.0 30.4 32.5 25.8 101 101 A I E -ij 49 122B 0 -53,-2.7 -51,-2.6 -2,-0.4 2,-0.8 -0.974 0.7-158.6-111.5 120.9 27.7 29.8 25.8 102 102 A S - 0 0 0 20,-2.8 22,-0.4 -2,-0.5 3,-0.1 -0.880 6.2-167.1 -97.4 109.2 24.3 30.8 24.4 103 103 A S S S- 0 0 1 -2,-0.8 71,-1.9 1,-0.2 2,-0.3 0.913 77.1 -32.6 -56.4 -42.0 21.7 28.4 25.7 104 104 A H - 0 0 0 69,-0.2 -1,-0.2 2,-0.1 69,-0.1 -0.932 63.0-103.8-164.9 178.8 19.5 30.0 23.1 105 105 A L + 0 0 0 -2,-0.3 33,-0.4 -3,-0.1 5,-0.1 0.171 64.4 133.5-108.3 19.9 19.0 33.3 21.3 106 106 A H S >> S- 0 0 33 1,-0.1 3,-2.3 31,-0.1 4,-1.9 -0.323 72.3-105.2 -59.5 154.0 15.9 34.6 23.0 107 107 A F H 3> S+ 0 0 18 1,-0.3 4,-0.7 2,-0.2 -1,-0.1 0.719 119.2 56.0 -61.8 -27.0 16.3 38.3 24.1 108 108 A D H 34 S+ 0 0 12 -55,-0.2 -56,-0.3 1,-0.1 -1,-0.3 0.439 117.6 35.5 -83.6 0.8 16.7 37.5 27.8 109 109 A H H <4 S+ 0 0 7 -3,-2.3 -58,-2.3 -58,-0.1 -57,-0.2 0.591 129.2 25.1-123.7 -25.2 19.7 35.1 27.0 110 110 A A H >< S+ 0 0 0 -4,-1.9 3,-1.9 -60,-0.2 4,-0.3 0.254 82.1 109.5-129.4 11.6 21.5 36.7 24.1 111 111 A G T 3< S+ 0 0 9 -59,-1.7 -56,-0.4 -4,-0.7 3,-0.3 0.781 85.3 46.7 -61.9 -28.4 20.7 40.4 24.4 112 112 A G T > S+ 0 0 10 -60,-0.8 3,-1.7 -58,-0.2 4,-0.3 0.300 78.7 106.6 -92.2 6.7 24.3 41.1 25.4 113 113 A N G X + 0 0 0 -3,-1.9 3,-2.1 1,-0.3 -1,-0.2 0.850 67.6 67.5 -60.5 -34.7 26.0 39.0 22.7 114 114 A G G 3 S+ 0 0 29 26,-0.5 -1,-0.3 -3,-0.3 -2,-0.1 0.690 87.6 68.6 -57.5 -22.5 27.1 42.1 20.8 115 115 A A G < S+ 0 0 38 -3,-1.7 2,-0.8 1,-0.2 -1,-0.3 0.688 90.6 67.3 -70.5 -18.9 29.5 43.1 23.6 116 116 A F < + 0 0 0 -3,-2.1 31,-0.4 -4,-0.3 -1,-0.2 -0.840 52.7 154.6-110.2 96.0 31.7 40.0 22.8 117 117 A T S S+ 0 0 82 -2,-0.8 -1,-0.2 29,-0.1 -2,-0.1 0.589 77.6 30.6-100.4 -11.4 33.3 40.6 19.4 118 118 A N S S+ 0 0 99 28,-0.1 -2,-0.1 2,-0.1 3,-0.1 0.729 95.3 91.3-112.2 -39.6 36.3 38.4 19.9 119 119 A T S S- 0 0 5 1,-0.1 28,-0.4 -25,-0.1 -20,-0.1 -0.340 85.0-108.3 -63.9 134.5 35.3 35.6 22.3 120 120 A P - 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0 0 0 43,-2.2 3,-1.8 -2,-0.8 44,-0.2 0.769 12.8-174.1 -66.2 -22.8 18.0 23.2 32.6 190 190 A I E > S- e 0 233A 2 42,-0.6 44,-1.1 1,-0.2 3,-1.1 -0.406 71.4 -18.5 45.2-132.1 18.0 26.8 31.5 191 191 A D T 3 S+ 0 0 0 1,-0.3 3,-0.3 -17,-0.2 -1,-0.2 0.282 112.5 96.9 -89.8 16.9 14.7 27.2 29.6 192 192 A A T < S+ 0 0 3 -3,-1.8 -1,-0.3 1,-0.3 2,-0.2 0.643 110.0 10.6 -71.8 -13.1 14.1 23.4 29.0 193 193 A S < - 0 0 0 -3,-1.1 41,-2.4 1,-0.1 -1,-0.3 -0.760 65.2-163.9-159.1 120.5 12.0 24.0 32.1 194 194 A Y S S+ 0 0 12 -3,-0.3 41,-2.1 -2,-0.2 2,-0.3 0.928 81.2 18.7 -63.7 -46.4 11.1 27.4 33.5 195 195 A T S > S- 0 0 11 -174,-0.2 4,-1.3 8,-0.2 3,-0.4 -0.809 81.4-107.7-125.4 165.0 10.0 26.0 36.9 196 196 A K H > S+ 0 0 91 -2,-0.3 4,-2.9 1,-0.2 5,-0.4 0.881 120.8 57.1 -54.2 -40.5 10.5 22.8 38.9 197 197 A E H > S+ 0 0 75 1,-0.2 6,-1.6 2,-0.2 4,-1.1 0.858 100.6 55.7 -62.5 -38.6 6.8 22.0 38.1 198 198 A N H 4 S+ 0 0 0 -3,-0.4 -1,-0.2 4,-0.2 -2,-0.2 0.849 118.1 36.3 -59.9 -35.4 7.6 22.2 34.3 199 199 A F H < S+ 0 0 8 -4,-1.3 -2,-0.2 -3,-0.3 -3,-0.1 0.969 125.9 31.6 -81.5 -64.3 10.3 19.5 34.8 200 200 A E H < S+ 0 0 101 -4,-2.9 -3,-0.2 1,-0.2 -2,-0.1 0.916 134.0 28.9 -64.2 -47.6 9.0 17.1 37.5 201 201 A D S < S- 0 0 109 -4,-1.1 -1,-0.2 -5,-0.4 -3,-0.2 0.407 100.9-127.2 -99.0 0.0 5.2 17.4 36.7 202 202 A E + 0 0 74 -6,-0.3 -4,-0.2 -5,-0.2 -3,-0.1 0.831 40.1 177.4 55.6 36.3 5.7 18.1 33.0 203 203 A V - 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0 0 15 0, 0.0 2,-0.4 0, 0.0 -43,-0.2 -0.320 39.8-102.7 -84.0 169.1 22.5 16.0 40.0 230 230 A I E -e 186 0A 68 -45,-2.2 -43,-3.0 -47,-0.1 2,-0.4 -0.786 46.1-142.7 -84.3 139.8 21.2 19.1 41.8 231 231 A I E -e 187 0A 35 -2,-0.4 2,-0.4 -45,-0.2 -43,-0.2 -0.905 19.6-171.6-118.3 132.0 18.9 20.8 39.3 232 232 A F E -e 188 0A 19 -45,-2.7 -43,-2.2 -2,-0.4 -42,-0.6 -0.987 15.7-144.5-124.4 132.6 18.3 24.5 38.7 233 233 A F E -e 190 0A 6 -2,-0.4 3,-0.4 -45,-0.2 -39,-0.2 -0.420 17.6-114.9-100.9 167.3 15.5 25.8 36.4 234 234 A G S S+ 0 0 2 -41,-2.4 -198,-0.2 -44,-1.1 -40,-0.2 0.842 98.7 5.8 -74.1 -40.2 15.4 28.8 34.1 235 235 A H S S+ 0 0 3 -41,-2.1 2,-0.7 -42,-0.2 -1,-0.2 -0.489 79.9 152.3-148.5 63.2 12.8 31.2 35.4 236 236 A D > - 0 0 5 -3,-0.4 4,-2.8 1,-0.2 5,-0.1 -0.857 24.0-174.8-115.0 101.3 11.7 29.9 38.8 237 237 A I H > S+ 0 0 63 -2,-0.7 4,-0.7 2,-0.2 -1,-0.2 0.832 89.1 48.5 -59.9 -36.2 10.5 32.5 41.4 238 238 A E H >4 S+ 0 0 111 2,-0.2 3,-1.2 1,-0.2 4,-0.4 0.971 114.6 42.7 -69.8 -54.5 10.2 29.8 44.1 239 239 A Q H >> S+ 0 0 38 1,-0.3 3,-2.0 2,-0.2 4,-1.0 0.876 104.5 66.0 -61.3 -39.3 13.6 28.2 43.6 240 240 A E H 3< S+ 0 0 51 -4,-2.8 3,-0.4 1,-0.3 -1,-0.3 0.803 89.1 69.0 -50.9 -32.2 15.2 31.6 43.2 241 241 A K T << S+ 0 0 161 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.780 110.9 30.4 -57.6 -30.0 14.3 32.2 46.9 242 242 A S T <4 S+ 0 0 98 -3,-2.0 -1,-0.2 -4,-0.4 -2,-0.2 0.446 90.1 122.4-114.5 -3.4 16.9 29.6 48.0 243 243 A C < - 0 0 21 -4,-1.0 2,-0.7 -3,-0.4 -3,-0.0 -0.373 63.3-127.8 -61.2 131.4 19.5 29.9 45.3 244 244 A R - 0 0 114 -2,-0.1 -236,-0.4 3,-0.0 2,-0.2 -0.770 40.5-174.7 -76.3 115.0 23.1 30.7 46.4 245 245 A V > - 0 0 45 -2,-0.7 3,-2.5 1,-0.1 -236,-0.2 -0.704 28.2 -25.8-113.4 163.7 23.9 33.7 44.2 246 246 A F T 3 S+ 0 0 72 -238,-2.6 -1,-0.1 1,-0.4 3,-0.1 -0.194 126.2 30.2 -44.4 133.5 27.0 35.7 43.6 247 247 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.4 0, 0.0 2,-0.1 -0.978 117.9 70.1 -86.3 4.5 29.3 36.1 45.4 248 248 A E < - 0 0 112 -3,-2.5 -240,-0.4 -240,-0.1 2,-0.3 -0.438 68.2-171.8 -74.6 155.6 28.4 32.7 46.7 249 249 A Y 0 0 83 -242,-0.1 -242,-0.2 -2,-0.1 -4,-0.1 -0.947 360.0 360.0-142.9 166.1 29.1 29.7 44.3 250 250 A I 0 0 2 -244,-2.5 -244,-1.9 -2,-0.3 -69,-0.2 -0.716 360.0 360.0-122.3 360.0 28.4 26.0 44.0