==== 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 17-JUN-08 3DHC . COMPND 2 MOLECULE: N-ACYL HOMOSERINE LACTONE HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THURINGIENSIS SEROVAR KURSTAK . AUTHOR D.LIU,J.MOMB,P.W.THOMAS,A.MOULIN,G.A.PETSKO,W.FAST,D.RINGE . 250 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11157.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 70.0 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 . 22 8.8 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 0 162 0, 0.0 2,-0.3 0, 0.0 178,-0.1 0.000 360.0 360.0 360.0 -61.4 38.5 18.0 35.2 2 2 A T - 0 0 45 176,-0.0 41,-0.3 158,-0.0 2,-0.3 -0.936 360.0-103.8-122.3 155.7 35.9 19.6 37.4 3 3 A V B -a 180 0A 0 176,-3.2 178,-2.9 -2,-0.3 179,-0.3 -0.592 23.0-143.6 -70.3 140.7 34.8 23.3 37.2 4 4 A K S S+ 0 0 95 37,-1.8 2,-0.4 -2,-0.3 178,-0.3 0.907 78.0 3.6 -73.6 -44.0 36.3 25.3 40.1 5 5 A K E -F 41 0B 71 36,-1.4 36,-2.8 176,-0.1 2,-0.5 -0.991 54.2-161.0-146.7 137.8 33.3 27.6 40.6 6 6 A L E -F 40 0B 0 244,-2.1 244,-2.5 -2,-0.4 2,-0.4 -0.978 20.4-166.6-117.8 112.9 29.8 27.9 39.1 7 7 A Y E -F 39 0B 27 32,-3.0 32,-2.0 -2,-0.5 2,-0.6 -0.865 15.6-148.8-102.2 137.7 28.3 31.4 39.7 8 8 A F E -F 38 0B 4 -2,-0.4 238,-2.9 240,-0.4 30,-0.2 -0.900 22.4-168.9 -95.6 121.8 24.6 32.3 39.2 9 9 A I E -F 37 0B 8 28,-2.9 28,-2.2 -2,-0.6 2,-0.1 -0.939 19.0-132.8-123.1 112.1 24.6 35.9 38.1 10 10 A P E -F 36 0B 64 0, 0.0 26,-0.2 0, 0.0 3,-0.1 -0.437 22.3-177.0 -59.6 137.7 21.3 37.9 38.0 11 11 A A E - 0 0 0 24,-2.9 42,-0.4 1,-0.6 2,-0.1 -0.330 53.8 -71.0-133.9 47.2 21.1 39.8 34.7 12 12 A G E - 0 0 9 23,-0.1 23,-2.2 40,-0.1 -1,-0.6 -0.453 56.8 -97.8 90.9-174.0 17.9 41.7 35.0 13 13 A R E -FG 34 76B 69 63,-2.4 63,-3.0 21,-0.2 2,-0.3 -0.851 20.3-148.3-141.7 172.6 14.4 40.5 35.0 14 14 A C E -FG 33 75B 11 19,-2.4 19,-2.7 -2,-0.3 2,-0.4 -0.965 14.8-131.6-149.4 133.8 11.5 40.1 32.6 15 15 A M E +FG 32 74B 35 59,-3.3 59,-2.1 -2,-0.3 2,-0.4 -0.713 32.3 174.5 -82.5 134.3 7.7 40.3 33.0 16 16 A L E -FG 31 73B 16 15,-2.1 15,-2.6 -2,-0.4 57,-0.2 -0.995 37.5-104.4-136.0 141.7 5.9 37.4 31.4 17 17 A D E > -F 30 0B 14 55,-1.5 3,-2.6 -2,-0.4 4,-0.4 -0.418 32.6-121.6 -61.5 145.6 2.3 36.4 31.4 18 18 A H G >> S+ 0 0 32 11,-3.0 3,-1.3 1,-0.3 4,-1.2 0.745 108.4 72.9 -68.1 -15.0 1.7 33.5 33.7 19 19 A S G 34 S+ 0 0 29 1,-0.3 -1,-0.3 10,-0.2 6,-0.1 0.670 88.7 63.4 -68.0 -13.9 0.3 31.5 30.8 20 20 A S G <4 S+ 0 0 20 -3,-2.6 186,-2.7 1,-0.2 -1,-0.3 0.716 106.4 41.7 -82.5 -16.7 3.8 31.3 29.5 21 21 A V T <4 S+ 0 0 17 -3,-1.3 2,-0.3 -4,-0.4 -2,-0.2 0.592 133.0 21.2 -98.7 -18.6 4.9 29.2 32.6 22 22 A N S >< S- 0 0 42 -4,-1.2 3,-2.3 3,-0.1 -1,-0.3 -0.803 70.6-155.9-149.8 104.9 1.8 27.1 32.6 23 23 A S T 3 S+ 0 0 67 181,-2.5 182,-0.1 -2,-0.3 -4,-0.1 0.649 91.9 61.2 -63.7 -10.8 -0.0 27.0 29.3 24 24 A A T 3 S+ 0 0 85 180,-0.3 -1,-0.3 2,-0.1 -5,-0.1 0.568 82.6 104.8 -86.2 -12.2 -3.3 26.1 31.1 25 25 A L S < S- 0 0 62 -3,-2.3 -3,-0.1 -7,-0.2 -6,-0.0 -0.365 80.2-107.8 -77.7 154.0 -3.4 29.3 33.2 26 26 A T - 0 0 111 1,-0.1 3,-0.2 -2,-0.1 -8,-0.1 -0.688 39.5-119.2 -80.9 118.7 -5.8 32.1 32.4 27 27 A P S S+ 0 0 99 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.177 81.2 79.3 -58.4 151.3 -3.8 35.1 30.9 28 28 A G + 0 0 64 1,-0.3 2,-0.4 44,-0.1 -11,-0.0 0.460 67.8 87.7 126.3 5.0 -3.9 38.4 32.6 29 29 A K - 0 0 144 -3,-0.2 -11,-3.0 2,-0.0 2,-0.3 -0.983 61.5-151.4-128.5 121.4 -1.4 38.1 35.5 30 30 A L E -F 17 0B 72 -2,-0.4 2,-0.4 -13,-0.3 -13,-0.2 -0.644 4.3-149.6 -86.0 149.7 2.2 39.0 34.8 31 31 A L E -F 16 0B 51 -15,-2.6 -15,-2.1 -2,-0.3 2,-1.1 -0.974 13.5-134.5-119.7 134.5 5.1 37.4 36.7 32 32 A N E -F 15 0B 61 -2,-0.4 -17,-0.2 -17,-0.2 -15,-0.0 -0.742 37.5-171.5 -89.1 97.5 8.4 39.2 37.3 33 33 A L E -F 14 0B 6 -19,-2.7 -19,-2.4 -2,-1.1 2,-0.2 -0.627 21.5-109.3 -98.8 152.3 10.8 36.4 36.4 34 34 A P E -F 13 0B 3 0, 0.0 2,-0.5 0, 0.0 -21,-0.2 -0.492 19.0-150.8 -77.2 144.3 14.6 36.3 36.8 35 35 A V E - 0 0 1 -23,-2.2 -24,-2.9 -2,-0.2 2,-0.4 -0.965 24.2-164.3-108.2 131.8 17.0 36.4 33.9 36 36 A W E -F 10 0B 15 -2,-0.5 16,-0.3 198,-0.3 2,-0.3 -0.888 22.3-174.5-118.2 149.1 20.2 34.6 34.6 37 37 A C E -F 9 0B 0 -28,-2.2 -28,-2.9 -2,-0.4 2,-0.4 -0.896 19.5-145.3-125.2 163.1 23.7 34.3 33.2 38 38 A Y E -FH 8 49B 4 11,-2.1 11,-3.2 -2,-0.3 2,-0.5 -0.994 4.6-157.4-128.6 138.4 26.2 31.8 34.6 39 39 A L E -FH 7 48B 0 -32,-2.0 -32,-3.0 -2,-0.4 2,-0.6 -0.963 7.0-163.6-119.4 126.6 29.9 32.1 34.9 40 40 A L E -FH 6 47B 0 7,-2.9 7,-2.4 -2,-0.5 2,-0.7 -0.945 7.3-154.6-108.0 120.9 32.1 29.0 35.1 41 41 A E E +FH 5 46B 26 -36,-2.8 -37,-1.8 -2,-0.6 -36,-1.4 -0.872 29.3 170.6 -95.6 119.4 35.6 29.3 36.4 42 42 A T E > - H 0 45B 6 3,-0.9 3,-1.2 -2,-0.7 -39,-0.1 -0.801 50.2-106.5-126.4 164.3 37.6 26.4 34.8 43 43 A E T 3 S+ 0 0 134 -41,-0.3 -1,-0.1 -2,-0.3 -40,-0.1 0.831 123.1 50.8 -58.6 -32.6 41.2 25.4 34.5 44 44 A E T 3 S- 0 0 121 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.579 127.2 -84.9 -82.7 -11.7 41.1 26.5 30.9 45 45 A G E < -H 42 0B 17 -3,-1.2 -3,-0.9 2,-0.0 -1,-0.3 -0.741 62.2 -38.4 129.7 178.2 39.6 29.9 31.7 46 46 A P E -H 41 0B 16 0, 0.0 52,-3.2 0, 0.0 53,-0.7 -0.577 47.0-164.8 -83.0 138.6 36.3 31.6 32.4 47 47 A I E -Hi 40 99B 0 -7,-2.4 -7,-2.9 -2,-0.2 2,-0.5 -0.981 6.9-150.4-124.7 131.2 33.2 30.6 30.4 48 48 A L E -Hi 39 100B 1 51,-2.1 53,-2.7 -2,-0.4 2,-0.7 -0.910 2.4-154.2-104.5 127.6 30.0 32.6 30.3 49 49 A V E -Hi 38 101B 0 -11,-3.2 -11,-2.1 -2,-0.5 53,-0.2 -0.928 67.7 -14.5-102.1 114.0 26.6 30.9 29.7 50 50 A D - 0 0 1 51,-2.6 -12,-0.2 -2,-0.7 60,-0.2 0.289 61.0-130.7 69.2 162.3 24.2 33.4 28.2 51 51 A T - 0 0 0 58,-2.1 32,-0.5 1,-0.4 59,-0.2 0.150 34.9-124.7-138.8 19.1 24.5 37.2 27.9 52 52 A G - 0 0 0 56,-0.4 59,-1.7 -16,-0.3 60,-0.7 -0.255 52.7 -24.0 70.1-157.8 21.3 38.8 29.2 53 53 A M - 0 0 5 -42,-0.4 30,-0.4 28,-0.3 55,-0.2 -0.476 65.9 -98.9-100.2 159.4 19.1 41.3 27.3 54 54 A P > - 0 0 1 0, 0.0 3,-2.1 0, 0.0 4,-0.3 -0.335 34.0-110.6 -74.4 161.6 19.9 43.8 24.5 55 55 A E G > S+ 0 0 116 56,-0.4 3,-1.8 1,-0.3 57,-0.1 0.803 114.8 71.6 -63.4 -23.4 20.6 47.5 25.2 56 56 A S G 3 S+ 0 0 25 1,-0.3 -1,-0.3 3,-0.0 7,-0.0 0.695 92.9 58.0 -65.8 -18.0 17.3 48.3 23.5 57 57 A A G X S+ 0 0 0 -3,-2.1 3,-1.7 2,-0.1 20,-0.6 0.596 76.6 117.3 -84.5 -11.7 15.6 46.8 26.6 58 58 A V B < S-l 77 0C 18 -3,-1.8 20,-0.2 -4,-0.3 21,-0.0 -0.388 99.3 -16.9 -64.9 122.8 17.4 49.2 29.0 59 59 A N T 3 S+ 0 0 121 18,-3.1 -1,-0.3 -2,-0.2 3,-0.1 0.858 115.1 111.8 52.5 38.3 14.7 51.4 30.8 60 60 A N X + 0 0 64 -3,-1.7 3,-1.8 17,-0.3 -1,-0.1 -0.509 29.7 161.5-146.0 67.7 12.3 50.3 28.1 61 61 A E T 3 S+ 0 0 90 1,-0.3 3,-0.4 13,-0.2 -1,-0.1 0.753 79.1 61.1 -59.7 -27.3 9.6 48.0 29.3 62 62 A G T > + 0 0 24 1,-0.2 3,-2.3 12,-0.1 -1,-0.3 0.129 64.7 122.5 -85.6 20.4 7.6 48.8 26.2 63 63 A L T < S+ 0 0 35 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.820 76.7 47.2 -49.6 -38.7 10.3 47.3 23.9 64 64 A F T > S+ 0 0 22 -3,-0.4 3,-1.8 9,-0.4 -1,-0.3 0.313 77.6 129.1 -97.9 11.9 7.7 44.9 22.4 65 65 A N T < S+ 0 0 104 -3,-2.3 3,-0.1 1,-0.2 -3,-0.0 -0.419 75.0 25.6 -57.2 137.8 4.9 47.4 21.8 66 66 A G T 3 S+ 0 0 71 1,-0.3 -1,-0.2 -2,-0.1 2,-0.2 0.468 107.0 98.4 85.1 4.0 3.7 47.0 18.3 67 67 A T S X S- 0 0 61 -3,-1.8 3,-2.0 1,-0.0 -1,-0.3 -0.687 93.2 -92.7-113.6 176.0 4.9 43.4 18.0 68 68 A F T 3 S+ 0 0 111 1,-0.3 -3,-0.1 -2,-0.2 68,-0.0 0.639 125.5 48.6 -63.7 -13.0 3.1 40.0 18.3 69 69 A V T >> S+ 0 0 18 -5,-0.3 3,-2.6 4,-0.1 4,-1.2 0.198 75.3 149.7-113.9 17.6 4.1 39.9 22.1 70 70 A E T <4 S+ 0 0 112 -3,-2.0 -5,-0.1 1,-0.3 4,-0.1 -0.251 78.6 4.8 -51.1 132.1 2.9 43.4 23.1 71 71 A G T 34 S+ 0 0 46 2,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.325 118.7 80.9 76.4 -7.1 1.9 43.4 26.7 72 72 A Q T <4 S+ 0 0 93 -3,-2.6 -55,-1.5 1,-0.3 2,-0.4 0.688 96.6 31.9-102.4 -25.1 3.0 39.8 27.1 73 73 A I E < +G 16 0B 37 -4,-1.2 -9,-0.4 -57,-0.2 -2,-0.3 -0.987 63.1 172.5-136.4 119.4 6.8 40.3 27.6 74 74 A L E -G 15 0B 39 -59,-2.1 -59,-3.3 -2,-0.4 -13,-0.2 -0.939 25.6-138.3-131.4 107.5 8.2 43.4 29.3 75 75 A P E -G 14 0B 1 0, 0.0 2,-0.5 0, 0.0 -61,-0.3 -0.401 6.1-156.4 -67.4 147.8 11.9 43.5 30.0 76 76 A K E +G 13 0B 67 -63,-3.0 -63,-2.4 -2,-0.1 2,-0.4 -0.827 38.1 145.1-123.5 87.4 13.0 44.9 33.4 77 77 A M B -l 58 0C 7 -20,-0.6 -18,-3.1 -2,-0.5 -17,-0.3 -0.984 28.1-168.5-135.7 129.9 16.5 46.0 32.7 78 78 A T > - 0 0 58 -2,-0.4 3,-1.8 -20,-0.2 4,-0.3 -0.636 45.8 -95.1-105.2 174.4 18.6 48.8 34.0 79 79 A E G > S+ 0 0 96 1,-0.3 3,-1.4 -2,-0.2 6,-0.2 0.837 124.1 61.9 -57.5 -32.3 22.0 50.1 32.7 80 80 A E G 3 S+ 0 0 127 1,-0.3 -1,-0.3 5,-0.1 -68,-0.0 0.710 94.1 62.9 -65.8 -21.6 23.6 47.9 35.4 81 81 A D G < S+ 0 0 27 -3,-1.8 -28,-0.3 4,-0.1 -1,-0.3 0.457 70.9 116.7 -88.4 -0.6 22.2 44.8 33.8 82 82 A R S X> S- 0 0 82 -3,-1.4 4,-2.6 -4,-0.3 3,-1.0 -0.506 74.5-124.8 -61.5 135.7 24.1 45.2 30.6 83 83 A I H 3> S+ 0 0 7 -32,-0.5 4,-3.1 -30,-0.4 5,-0.2 0.839 107.9 54.1 -62.2 -29.4 26.4 42.2 30.3 84 84 A V H 3> S+ 0 0 62 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.888 111.8 45.4 -68.3 -36.1 29.6 44.3 29.9 85 85 A N H <> S+ 0 0 66 -3,-1.0 4,-2.5 -6,-0.2 -2,-0.2 0.912 113.5 49.7 -71.9 -43.2 28.8 46.2 33.0 86 86 A I H X S+ 0 0 3 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.973 113.6 46.3 -53.5 -50.5 27.9 42.9 34.9 87 87 A L H X>S+ 0 0 1 -4,-3.1 5,-2.9 1,-0.2 4,-2.2 0.907 110.7 52.0 -63.2 -41.7 31.2 41.4 33.7 88 88 A K H <5S+ 0 0 120 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.924 109.9 49.6 -62.9 -41.7 33.2 44.5 34.7 89 89 A R H <5S+ 0 0 138 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.915 112.2 47.9 -63.0 -36.6 31.7 44.5 38.2 90 90 A V H <5S- 0 0 32 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.817 129.2 -94.2 -75.3 -29.1 32.6 40.8 38.6 91 91 A G T <5S+ 0 0 52 -4,-2.2 2,-0.3 1,-0.3 -3,-0.2 0.563 85.1 99.3 127.0 16.5 36.2 41.3 37.3 92 92 A Y < - 0 0 42 -5,-2.9 -1,-0.3 -6,-0.1 -2,-0.1 -0.929 49.2-151.8-132.0 153.8 36.2 40.5 33.5 93 93 A E > - 0 0 104 -2,-0.3 3,-2.2 -5,-0.1 4,-0.4 -0.817 43.4-102.4-108.5 159.5 36.2 42.2 30.1 94 94 A P G > S+ 0 0 21 0, 0.0 3,-1.8 0, 0.0 22,-0.1 0.871 119.7 56.9 -50.3 -43.5 34.7 40.4 27.1 95 95 A D G 3 S+ 0 0 105 1,-0.3 21,-0.0 23,-0.1 -3,-0.0 0.649 94.7 68.6 -71.7 -4.0 38.1 39.4 25.6 96 96 A D G < S+ 0 0 83 -3,-2.2 -1,-0.3 23,-0.0 2,-0.2 0.684 79.6 100.4 -77.9 -17.8 39.0 37.6 28.9 97 97 A L < - 0 0 10 -3,-1.8 -50,-0.2 -4,-0.4 3,-0.1 -0.464 61.0-154.6 -78.1 142.3 36.4 34.9 28.3 98 98 A L S S- 0 0 52 -52,-3.2 2,-0.3 1,-0.3 -51,-0.2 0.926 77.6 -10.9 -75.9 -49.0 37.4 31.5 26.9 99 99 A Y E -i 47 0B 49 -53,-0.7 -51,-2.1 20,-0.1 2,-0.4 -0.984 54.1-139.9-142.8 157.6 33.9 30.8 25.4 100 100 A I E -ij 48 121B 0 20,-2.5 22,-3.4 -2,-0.3 2,-0.5 -0.954 20.3-155.7-108.1 137.6 30.4 32.1 25.4 101 101 A I E -ij 49 122B 0 -53,-2.7 -51,-2.6 -2,-0.4 2,-0.8 -0.987 1.5-157.7-110.7 120.9 27.8 29.4 25.5 102 102 A S - 0 0 1 20,-2.8 22,-0.4 -2,-0.5 3,-0.1 -0.886 6.2-165.6 -94.8 111.3 24.4 30.4 24.0 103 103 A S S S- 0 0 1 -2,-0.8 71,-1.9 1,-0.2 2,-0.3 0.903 77.4 -34.3 -57.2 -41.6 21.7 28.1 25.5 104 104 A H - 0 0 0 69,-0.2 -1,-0.2 2,-0.1 69,-0.1 -0.927 63.3-102.4-168.4 176.9 19.5 29.6 22.7 105 105 A L + 0 0 0 -2,-0.3 33,-0.4 -3,-0.1 5,-0.1 0.147 64.7 135.1-108.5 19.4 19.1 32.9 20.9 106 106 A H S >> S- 0 0 25 1,-0.1 3,-2.4 31,-0.1 4,-1.7 -0.329 71.6-101.0 -59.8 159.6 15.9 34.2 22.6 107 107 A F H 3> S+ 0 0 19 29,-0.4 4,-0.8 1,-0.3 -1,-0.1 0.694 118.8 48.8 -65.3 -30.2 16.3 37.9 23.6 108 108 A D H 34 S+ 0 0 13 -55,-0.2 -56,-0.4 1,-0.2 -1,-0.3 0.426 116.7 42.8 -93.2 6.7 17.1 37.5 27.2 109 109 A H H <4 S+ 0 0 5 -3,-2.4 -58,-2.1 -58,-0.1 -57,-0.2 0.601 129.0 21.3-116.8 -20.8 19.7 34.8 26.6 110 110 A A H >< S+ 0 0 0 -4,-1.7 3,-1.9 -60,-0.2 4,-0.3 0.226 84.9 108.4-131.9 11.1 21.6 36.3 23.6 111 111 A G T 3< S+ 0 0 8 -59,-1.7 -56,-0.4 -4,-0.8 3,-0.3 0.772 85.6 47.5 -65.1 -22.8 20.8 40.0 23.8 112 112 A G T > S+ 0 0 9 -60,-0.7 3,-1.8 1,-0.2 -1,-0.3 0.303 78.7 106.0 -94.8 8.5 24.4 40.7 24.9 113 113 A N G X + 0 0 0 -3,-1.9 3,-2.2 1,-0.3 -1,-0.2 0.830 67.3 66.7 -61.6 -32.8 26.1 38.6 22.3 114 114 A G G 3 S+ 0 0 28 26,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.711 87.4 69.9 -63.9 -16.9 27.3 41.6 20.2 115 115 A A G < S+ 0 0 37 -3,-1.8 2,-0.8 1,-0.2 -1,-0.3 0.653 90.3 67.5 -69.2 -17.3 29.6 42.6 23.1 116 116 A F < + 0 0 0 -3,-2.2 31,-0.4 -4,-0.3 -1,-0.2 -0.865 52.9 154.2-111.1 96.1 31.8 39.5 22.4 117 117 A T S S+ 0 0 81 -2,-0.8 -1,-0.2 29,-0.1 -2,-0.1 0.577 77.2 29.7-102.8 -6.9 33.4 40.0 19.0 118 118 A N S S+ 0 0 97 28,-0.1 -2,-0.1 2,-0.1 -23,-0.1 0.701 96.1 90.6-116.7 -32.2 36.5 37.8 19.5 119 119 A T S S- 0 0 5 1,-0.1 28,-0.4 -20,-0.1 -20,-0.1 -0.343 86.0-109.2 -69.5 134.5 35.4 35.1 22.0 120 120 A P - 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0 0 0 43,-2.4 3,-1.9 -2,-0.7 44,-0.2 0.757 12.2-173.9 -65.5 -27.2 18.0 23.1 32.3 190 190 A I E > S- e 0 233A 2 42,-0.6 3,-1.2 1,-0.2 44,-1.2 -0.389 70.5 -18.4 53.0-137.1 17.8 26.7 31.1 191 191 A D T 3 S+ 0 0 1 1,-0.3 3,-0.3 -17,-0.2 -1,-0.2 0.309 112.4 96.2 -88.6 14.1 14.6 27.0 29.1 192 192 A A T < S+ 0 0 4 -3,-1.9 -1,-0.3 1,-0.3 2,-0.2 0.679 111.1 9.2 -67.9 -12.7 14.1 23.3 28.6 193 193 A S < - 0 0 0 -3,-1.2 41,-2.4 1,-0.1 -1,-0.3 -0.748 65.4-163.3-159.3 119.6 11.9 23.9 31.8 194 194 A Y S S+ 0 0 20 -3,-0.3 41,-2.5 -2,-0.2 2,-0.3 0.909 80.4 18.0 -64.2 -39.8 11.1 27.4 33.1 195 195 A T S > S- 0 0 14 -174,-0.2 4,-1.4 8,-0.2 3,-0.5 -0.834 82.4-104.6-132.5 162.8 10.0 26.0 36.4 196 196 A K H > S+ 0 0 88 -2,-0.3 4,-2.9 1,-0.2 5,-0.5 0.890 120.9 53.5 -52.7 -41.3 10.3 22.9 38.6 197 197 A E H > S+ 0 0 77 1,-0.2 6,-1.9 2,-0.2 4,-0.9 0.847 101.6 57.9 -72.4 -26.9 6.7 22.0 37.8 198 198 A N H 4 S+ 0 0 0 -3,-0.5 -1,-0.2 4,-0.2 -2,-0.2 0.883 118.7 33.7 -61.9 -34.6 7.4 22.2 34.0 199 199 A F H < S+ 0 0 8 -4,-1.4 3,-0.3 -3,-0.3 -2,-0.2 0.965 126.8 34.0 -83.5 -63.0 10.1 19.6 34.6 200 200 A E H < S+ 0 0 109 -4,-2.9 -3,-0.2 1,-0.2 -2,-0.1 0.923 133.5 27.7 -61.8 -48.8 8.8 17.4 37.4 201 201 A D S < S- 0 0 105 -4,-0.9 -1,-0.2 -5,-0.5 -3,-0.2 0.345 99.1-125.7 -97.7 0.5 5.2 17.5 36.5 202 202 A E + 0 0 75 -3,-0.3 -4,-0.2 -6,-0.3 -3,-0.1 0.819 41.6 175.4 56.7 35.2 5.5 18.2 32.8 203 203 A V - 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0 0 16 0, 0.0 2,-0.4 0, 0.0 -43,-0.3 -0.327 39.2-104.1 -81.0 166.3 22.4 16.0 39.9 230 230 A I E -e 186 0A 76 -45,-2.1 -43,-2.7 -47,-0.1 2,-0.4 -0.780 46.8-143.4 -81.6 144.1 21.1 19.1 41.6 231 231 A I E -e 187 0A 34 -2,-0.4 2,-0.4 -45,-0.2 -43,-0.2 -0.932 19.5-169.5-125.3 133.7 18.9 20.8 39.1 232 232 A F E -e 188 0A 26 -45,-2.7 -43,-2.4 -2,-0.4 -42,-0.6 -0.987 14.9-143.1-126.7 134.9 18.2 24.5 38.4 233 233 A F E -e 190 0A 6 -2,-0.4 3,-0.4 -45,-0.2 -39,-0.2 -0.405 19.2-115.7 -99.0 166.5 15.4 25.7 36.2 234 234 A G S S+ 0 0 3 -41,-2.4 -198,-0.3 -44,-1.2 -40,-0.2 0.839 98.2 3.5 -77.1 -36.1 15.4 28.6 33.8 235 235 A H S S+ 0 0 8 -41,-2.5 2,-0.7 -42,-0.2 -1,-0.2 -0.471 80.1 151.3-150.1 67.3 12.9 31.2 35.1 236 236 A D > - 0 0 6 -3,-0.4 4,-2.2 1,-0.2 5,-0.1 -0.896 25.8-171.5-118.3 106.5 11.6 29.9 38.5 237 237 A I H > S+ 0 0 52 -2,-0.7 4,-0.9 2,-0.2 -1,-0.2 0.881 88.4 51.0 -67.3 -33.3 10.6 32.5 40.9 238 238 A E H >4 S+ 0 0 111 1,-0.2 3,-1.1 2,-0.2 4,-0.5 0.970 113.0 43.8 -71.2 -48.4 10.2 29.9 43.7 239 239 A Q H >> S+ 0 0 34 1,-0.3 3,-1.5 2,-0.2 4,-1.1 0.847 102.4 66.4 -67.6 -29.7 13.6 28.4 43.2 240 240 A E H 3< S+ 0 0 51 -4,-2.2 3,-0.4 1,-0.3 -1,-0.3 0.844 88.5 70.6 -59.9 -26.7 15.2 31.7 42.9 241 241 A K T << S+ 0 0 163 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.834 110.8 29.1 -55.0 -32.5 14.3 32.2 46.6 242 242 A S T <4 S+ 0 0 99 -3,-1.5 -1,-0.2 -4,-0.5 -2,-0.2 0.490 89.3 120.5-114.7 -2.2 16.9 29.7 47.6 243 243 A C < - 0 0 21 -4,-1.1 2,-0.4 -3,-0.4 -11,-0.0 -0.398 63.7-126.4 -61.2 132.5 19.6 29.9 44.8 244 244 A R - 0 0 111 -2,-0.1 -236,-0.3 3,-0.0 2,-0.3 -0.695 39.8-170.1 -72.1 130.2 23.1 30.8 46.0 245 245 A V > - 0 0 47 -2,-0.4 3,-2.4 -238,-0.1 -236,-0.2 -0.834 28.1 -29.2-128.9 156.6 24.0 33.8 43.8 246 246 A F T 3 S+ 0 0 71 -238,-2.9 -1,-0.1 1,-0.4 3,-0.1 -0.187 125.7 30.9 -39.1 131.4 27.1 35.7 43.1 247 247 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.4 0, 0.0 2,-0.1 -0.991 118.0 67.7 -87.3 -0.8 29.4 36.1 45.1 248 248 A E S < S- 0 0 95 -3,-2.4 -240,-0.4 -240,-0.1 2,-0.3 -0.427 70.1-172.0 -69.4 157.8 28.5 32.7 46.4 249 249 A Y 0 0 70 -242,-0.1 -242,-0.2 -3,-0.1 -4,-0.1 -0.938 360.0 360.0-145.2 165.9 29.1 29.8 44.0 250 250 A I 0 0 11 -244,-2.5 -244,-2.1 -2,-0.3 -69,-0.2 -0.682 360.0 360.0-119.6 360.0 28.4 26.1 43.8