==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE, HYDROLASE 22-JUL-11 3T2E . COMPND 2 MOLECULE: FRUCTOSE-1,6-BISPHOSPHATE ALDOLASE/PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOPROTEUS NEUTROPHILUS; . AUTHOR J.DU,R.SAY,W.LUE,G.FUCHS,O.EINSLE . 385 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18064.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 281 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 92 23.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 0.5 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 . 25 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 24.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 1 0 1 1 1 1 0 0 0 0 0 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 4 0 3 1 1 1 4 1 1 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 1 0 1 0 0 1 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 82 0, 0.0 119,-2.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 151.2 -26.6 29.1 34.7 2 2 A R E -A 119 0A 130 117,-0.3 2,-0.3 59,-0.1 117,-0.3 -0.727 360.0-178.0 -83.5 134.9 -28.9 26.9 32.6 3 3 A V E -A 118 0A 0 115,-2.7 115,-2.5 -2,-0.4 2,-0.5 -0.931 19.2-144.1-132.6 153.3 -32.4 27.9 32.5 4 4 A T E -AB 117 60A 0 56,-3.0 56,-2.1 -2,-0.3 2,-0.5 -0.974 8.8-160.9-115.4 138.3 -35.6 26.5 30.8 5 5 A V E -AB 116 59A 2 111,-2.9 111,-2.2 -2,-0.5 2,-0.4 -0.971 15.9-177.4-115.3 125.5 -38.2 28.8 29.5 6 6 A S E -AB 115 58A 0 52,-3.0 52,-2.9 -2,-0.5 2,-0.5 -0.988 16.7-166.9-127.7 131.1 -41.6 27.1 28.9 7 7 A I E -AB 114 57A 0 107,-3.0 107,-2.1 -2,-0.4 2,-0.5 -0.971 10.5-177.9-108.4 123.8 -44.8 28.5 27.5 8 8 A I E -AB 113 56A 0 48,-2.4 48,-2.5 -2,-0.5 2,-0.3 -0.992 10.0-175.3-123.4 128.5 -47.8 26.2 28.2 9 9 A K E +AB 112 55A 1 103,-2.7 103,-2.5 -2,-0.5 2,-0.3 -0.898 10.7 163.9-128.5 142.8 -51.1 27.5 26.7 10 10 A A E - B 0 54A 0 44,-2.1 44,-2.5 -2,-0.3 2,-0.6 -0.980 33.8-132.3-151.3 156.6 -54.7 26.3 26.7 11 11 A D + 0 0 5 -2,-0.3 85,-2.4 42,-0.2 86,-0.2 -0.939 32.0 164.1-104.7 113.5 -58.1 27.6 26.0 12 12 A V - 0 0 1 -2,-0.6 82,-1.9 1,-0.4 2,-0.1 0.054 66.8 -20.9-117.0 20.6 -60.3 26.6 29.0 13 13 A G - 0 0 0 39,-0.4 -1,-0.4 80,-0.3 9,-0.3 -0.276 60.6-131.1 144.1 135.2 -63.2 28.9 28.3 14 14 A G B -F 91 0B 1 77,-2.5 77,-2.0 3,-0.2 3,-0.5 -0.654 18.0-122.3-112.7 168.3 -64.1 32.1 26.4 15 15 A F S S- 0 0 89 5,-1.9 2,-0.1 1,-0.7 3,-0.1 -0.776 100.0 -4.3-156.1 93.9 -65.9 35.3 27.3 16 16 A P S > S- 0 0 100 0, 0.0 3,-2.4 0, 0.0 -1,-0.7 0.707 132.0 -46.2 -82.7 162.1 -68.2 35.5 25.4 17 17 A G T 3 S- 0 0 28 -3,-0.5 74,-0.2 1,-0.3 -3,-0.2 -0.360 113.7 -36.8 59.9-131.7 -68.0 32.6 22.9 18 18 A H T 3 S+ 0 0 39 -4,-0.2 34,-0.5 1,-0.1 -1,-0.3 0.041 113.8 103.6-109.4 27.0 -64.4 32.4 21.7 19 19 A A S < S- 0 0 19 -3,-2.4 271,-2.5 32,-0.1 2,-0.3 0.754 89.3 -30.9 -84.1 -29.1 -63.8 36.2 21.7 20 20 A H - 0 0 22 -4,-0.2 -5,-1.9 -3,-0.2 2,-0.3 -0.926 64.6 -93.5-166.9-174.6 -61.7 36.7 24.8 21 21 A V - 0 0 3 -2,-0.3 -7,-0.1 -7,-0.2 32,-0.1 -0.808 38.1-103.9-116.1 164.4 -61.0 35.4 28.3 22 22 A H >> - 0 0 27 -9,-0.3 3,-2.1 -2,-0.3 4,-0.9 -0.720 29.3-131.3 -81.6 134.9 -62.5 36.4 31.6 23 23 A P H 3> S+ 0 0 51 0, 0.0 4,-2.2 0, 0.0 3,-0.2 0.779 104.2 65.6 -62.2 -28.8 -59.9 38.5 33.6 24 24 A K H 3> S+ 0 0 100 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.753 94.3 61.1 -63.4 -23.2 -60.5 36.4 36.8 25 25 A M H <> S+ 0 0 0 -3,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.915 107.0 43.4 -66.9 -42.0 -59.0 33.5 34.8 26 26 A L H X S+ 0 0 1 -4,-0.9 4,-2.6 -3,-0.2 -2,-0.2 0.913 114.2 51.0 -66.4 -43.7 -55.7 35.4 34.4 27 27 A E H X S+ 0 0 69 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.901 111.8 48.0 -55.7 -47.3 -55.8 36.6 38.1 28 28 A Y H X S+ 0 0 70 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.952 112.9 47.3 -61.8 -49.0 -56.4 33.0 39.3 29 29 A A H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.909 110.9 50.7 -61.2 -43.4 -53.6 31.6 37.1 30 30 A A H X S+ 0 0 7 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.905 111.0 49.2 -64.7 -36.3 -51.1 34.3 38.2 31 31 A A H X S+ 0 0 62 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.876 110.3 51.3 -70.2 -38.7 -51.9 33.6 41.9 32 32 A K H X S+ 0 0 38 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.913 111.8 45.4 -64.1 -43.0 -51.4 29.9 41.4 33 33 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.846 107.7 58.7 -68.9 -27.7 -48.0 30.4 39.7 34 34 A K H X S+ 0 0 132 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.921 106.6 49.1 -65.2 -36.5 -47.0 32.9 42.5 35 35 A E H X S+ 0 0 83 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.914 110.8 49.4 -67.2 -45.7 -47.6 30.0 45.0 36 36 A A H <>S+ 0 0 7 -4,-2.1 5,-2.3 1,-0.2 6,-0.7 0.873 110.7 49.9 -60.1 -37.4 -45.5 27.7 42.8 37 37 A Q H ><5S+ 0 0 58 -4,-2.5 3,-1.5 1,-0.2 -1,-0.2 0.914 107.7 53.2 -69.9 -39.3 -42.7 30.3 42.7 38 38 A K H 3<5S+ 0 0 156 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.874 110.5 48.4 -62.9 -32.0 -42.9 30.7 46.6 39 39 A R T 3<5S- 0 0 168 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.381 118.3-115.1 -86.8 -0.7 -42.5 26.9 46.9 40 40 A G T < 5S+ 0 0 53 -3,-1.5 -3,-0.2 2,-0.3 -2,-0.1 0.592 80.2 125.6 78.4 13.6 -39.5 26.9 44.4 41 41 A V S S-C 53 0A 0 3,-1.8 3,-2.0 -2,-0.3 239,-0.1 -0.962 79.2 -36.0-127.4 122.4 -54.5 36.6 23.1 51 51 A G T 3 S- 0 0 0 237,-2.2 -30,-0.2 -2,-0.4 236,-0.2 -0.407 126.8 -24.1 66.8-136.9 -58.2 36.0 22.2 52 52 A D T 3 S+ 0 0 2 -34,-0.5 2,-0.5 -32,-0.2 -39,-0.4 0.232 115.3 101.1 -98.0 18.0 -59.5 33.0 24.2 53 53 A D E < - C 0 50A 2 -3,-2.0 -3,-1.8 -42,-0.1 2,-0.5 -0.885 56.7-155.4-109.0 128.6 -56.1 31.4 24.7 54 54 A I E -BC 10 49A 2 -44,-2.5 -44,-2.1 -2,-0.5 2,-0.4 -0.861 7.1-159.8-102.6 126.9 -54.2 31.7 28.0 55 55 A S E -BC 9 48A 0 -7,-3.2 -7,-2.0 -2,-0.5 2,-0.7 -0.862 4.9-159.5-103.6 132.6 -50.4 31.4 28.0 56 56 A L E -BC 8 47A 0 -48,-2.5 -48,-2.4 -2,-0.4 2,-0.5 -0.932 10.6-165.8-105.4 111.9 -48.5 30.5 31.1 57 57 A L E +BC 7 46A 0 -11,-3.0 -11,-2.3 -2,-0.7 2,-0.4 -0.833 15.5 175.1 -99.1 123.6 -44.9 31.6 30.6 58 58 A M E -BC 6 45A 0 -52,-2.9 -52,-3.0 -2,-0.5 2,-0.4 -0.998 22.1-156.3-132.3 144.7 -42.6 30.0 33.3 59 59 A T E +BC 5 44A 0 -15,-2.5 -16,-2.7 -2,-0.4 -15,-1.2 -0.911 32.7 136.4-117.3 150.5 -38.9 30.0 33.8 60 60 A H E -B 4 0A 0 -56,-2.1 -56,-3.0 -2,-0.4 3,-0.2 -0.938 56.1-113.9-172.5 179.4 -37.4 27.2 35.9 61 61 A T S S+ 0 0 85 -20,-0.3 -59,-0.1 -2,-0.3 -19,-0.1 0.060 81.6 101.0-126.0 33.3 -34.4 24.9 36.0 62 62 A K S S- 0 0 72 1,-0.2 -1,-0.1 -21,-0.1 6,-0.1 0.401 79.9-128.3 -96.9 0.6 -36.2 21.5 35.5 63 63 A G > - 0 0 8 -3,-0.2 3,-0.6 53,-0.1 -1,-0.2 -0.026 40.9 -38.6 81.3 177.2 -35.4 21.1 31.8 64 64 A E T 3 S+ 0 0 73 1,-0.2 -58,-0.0 51,-0.1 5,-0.0 -0.317 120.8 17.6 -75.1 151.9 -37.7 20.4 28.8 65 65 A D T 3 S+ 0 0 67 1,-0.2 2,-0.5 -2,-0.1 -1,-0.2 0.832 84.0 170.7 56.7 37.2 -40.6 17.9 29.0 66 66 A N <> - 0 0 36 -3,-0.6 4,-2.7 1,-0.1 5,-0.3 -0.665 33.3-147.0 -84.7 127.0 -40.7 18.0 32.8 67 67 A K H > S+ 0 0 133 -2,-0.5 4,-2.2 1,-0.2 -1,-0.1 0.815 97.4 51.2 -64.4 -29.8 -43.6 16.4 34.5 68 68 A D H > S+ 0 0 93 2,-0.2 4,-1.7 3,-0.2 -1,-0.2 0.863 114.5 43.5 -74.5 -35.5 -43.7 18.8 37.5 69 69 A I H > S+ 0 0 0 -3,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.953 117.9 44.6 -75.2 -43.0 -43.7 21.9 35.1 70 70 A H H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.898 116.0 49.0 -62.9 -42.2 -46.3 20.3 32.7 71 71 A G H X S+ 0 0 16 -4,-2.2 4,-2.7 -5,-0.3 -1,-0.2 0.840 106.4 54.8 -66.0 -37.5 -48.3 19.1 35.8 72 72 A L H X S+ 0 0 19 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.923 112.1 44.2 -59.1 -43.7 -48.2 22.6 37.3 73 73 A A H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.929 113.5 51.2 -68.0 -45.4 -49.7 24.0 34.0 74 74 A W H X S+ 0 0 16 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.937 112.7 45.5 -57.5 -48.2 -52.3 21.1 33.9 75 75 A E H X S+ 0 0 94 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.900 111.8 51.6 -65.7 -37.6 -53.4 21.7 37.5 76 76 A T H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.943 113.4 44.6 -62.7 -49.6 -53.5 25.5 37.0 77 77 A F H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.874 113.9 50.9 -63.0 -36.9 -55.8 25.1 33.8 78 78 A K H X S+ 0 0 72 -4,-2.6 4,-2.9 -5,-0.3 -2,-0.2 0.923 111.8 45.9 -68.1 -41.4 -57.9 22.5 35.7 79 79 A E H X S+ 0 0 50 -4,-2.8 4,-2.9 1,-0.2 5,-0.4 0.890 112.6 50.5 -70.9 -39.2 -58.4 24.8 38.7 80 80 A V H X>S+ 0 0 1 -4,-2.7 5,-2.6 -5,-0.2 4,-1.8 0.892 112.3 49.3 -59.8 -40.3 -59.2 27.8 36.4 81 81 A T H <>S+ 0 0 6 -4,-2.0 5,-3.0 3,-0.2 6,-0.3 0.965 118.8 36.4 -66.0 -52.6 -61.7 25.5 34.6 82 82 A D H <5S+ 0 0 60 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.885 125.6 36.2 -72.8 -35.8 -63.4 24.3 37.8 83 83 A Q H <5S+ 0 0 101 -4,-2.9 -1,-0.2 -5,-0.2 -3,-0.2 0.711 136.0 10.3 -85.8 -29.6 -63.3 27.5 39.9 84 84 A I T X5S+ 0 0 18 -4,-1.8 4,-2.5 -5,-0.4 -3,-0.2 0.729 124.5 45.5-120.2 -58.0 -63.9 30.1 37.2 85 85 A A T 4XS+ 0 0 0 -5,-2.6 5,-2.8 1,-0.2 4,-0.3 0.904 119.4 39.2 -64.8 -44.7 -64.9 28.7 33.8 86 86 A K T >4 < - 0 0 18 -5,-2.8 3,-1.6 -6,-0.2 2,-0.5 -0.134 30.2 -89.1 -66.1 158.3 -67.9 30.2 30.0 91 91 A Y B 3 S+F 14 0B 142 -77,-2.0 -77,-2.5 1,-0.3 -1,-0.1 -0.561 111.7 6.8 -82.0 130.6 -68.0 29.0 26.4 92 92 A G T > S- 0 0 24 -2,-0.5 3,-3.5 -79,-0.2 -1,-0.3 0.827 88.4-165.2 70.5 28.8 -65.9 25.9 25.7 93 93 A A T < S+ 0 0 40 -3,-1.6 -80,-0.3 1,-0.3 -1,-0.2 -0.281 77.5 1.6 -48.5 126.1 -65.3 25.6 29.6 94 94 A G T > S+ 0 0 14 -82,-1.9 3,-2.6 -3,-0.1 -1,-0.3 0.562 90.4 155.8 67.0 10.7 -62.4 23.2 29.9 95 95 A Q T < + 0 0 78 -3,-3.5 -83,-0.2 1,-0.3 -2,-0.1 0.816 69.9 39.2 -32.7 -60.8 -62.2 23.0 26.0 96 96 A D T 3 S+ 0 0 14 -85,-2.4 2,-1.2 -4,-0.2 -1,-0.3 0.450 86.4 96.7 -84.0 1.4 -58.5 21.9 25.8 97 97 A L < + 0 0 27 -3,-2.6 13,-0.2 -86,-0.2 -1,-0.1 -0.789 50.5 172.5 -94.2 95.5 -58.4 19.5 28.8 98 98 A L + 0 0 81 11,-2.0 2,-0.3 -2,-1.2 -1,-0.2 0.428 55.6 40.3 -98.3 -4.0 -58.9 16.4 26.7 99 99 A K S S- 0 0 149 10,-0.3 3,-0.1 -3,-0.1 10,-0.0 -0.882 71.0-132.1-128.6 169.7 -58.4 13.6 29.3 100 100 A D S S+ 0 0 141 -2,-0.3 2,-0.5 1,-0.2 -1,-0.1 0.726 90.6 56.7 -85.2 -24.3 -59.4 13.3 33.0 101 101 A A S S- 0 0 62 2,-0.0 2,-0.4 0, 0.0 -1,-0.2 -0.933 77.1-130.9-125.3 122.7 -55.9 12.3 34.1 102 102 A F - 0 0 61 -2,-0.5 4,-0.1 1,-0.2 -31,-0.0 -0.548 20.2-168.7 -63.1 118.9 -52.4 14.0 33.8 103 103 A S - 0 0 100 -2,-0.4 -1,-0.2 2,-0.3 3,-0.1 0.625 54.4 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322 A D < + 0 0 98 -3,-0.8 3,-0.0 -46,-0.1 -46,-0.0 -0.677 48.7 100.6 -97.9 88.1 -46.9 48.9 20.0 320 323 A D S >> S- 0 0 82 -2,-1.3 3,-1.6 1,-0.1 4,-0.8 -0.934 78.3-118.7-165.0 136.9 -45.6 51.4 17.4 321 324 A P H >> S+ 0 0 98 0, 0.0 4,-1.0 0, 0.0 3,-0.6 0.798 112.5 68.2 -55.9 -25.8 -47.4 53.6 14.8 322 325 A A H 3> S+ 0 0 63 1,-0.3 4,-0.7 2,-0.2 3,-0.4 0.880 99.7 48.1 -63.5 -30.9 -45.4 51.6 12.2 323 326 A F H <> S+ 0 0 20 -3,-1.6 4,-2.5 1,-0.2 -1,-0.3 0.602 95.4 71.9 -82.1 -12.8 -47.4 48.6 13.1 324 327 A D H < S+ 0 0 155 -4,-2.5 3,-1.0 1,-0.2 4,-0.2 0.939 113.6 44.2 -59.7 -49.0 -61.9 42.1 1.1 337 340 A I H >< S+ 0 0 10 -4,-2.8 3,-2.1 1,-0.3 -1,-0.2 0.878 103.7 64.7 -75.3 -25.3 -61.5 38.3 1.6 338 341 A R H >< S+ 0 0 50 -4,-2.0 3,-1.9 1,-0.3 -1,-0.3 0.726 86.3 71.6 -66.2 -20.1 -64.7 38.0 3.6 339 342 A R T << S+ 0 0 218 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.632 85.5 70.2 -70.3 -10.4 -66.8 39.0 0.5 340 343 A M T X S- 0 0 58 -3,-2.1 3,-1.2 -4,-0.2 -1,-0.3 0.635 80.7-177.3 -78.3 -16.7 -65.8 35.6 -0.8 341 344 A G T < - 0 0 18 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.1 -0.191 62.5 -1.9 61.2-132.7 -68.1 33.9 1.7 342 345 A P T 3 S+ 0 0 94 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.207 104.6 107.3 -84.9 20.7 -68.0 30.1 1.6 343 346 A F X> - 0 0 143 -3,-1.2 4,-1.8 -2,-0.0 3,-1.5 -0.814 68.3 -80.4-105.0 137.9 -65.6 29.6 -1.4 344 347 A Q T 34 S+ 0 0 101 -2,-0.4 4,-0.1 1,-0.3 -78,-0.0 -0.404 108.4 33.9 -54.1 144.2 -62.0 28.4 -1.5 345 348 A P T 34 S+ 0 0 96 0, 0.0 -1,-0.3 0, 0.0 -5,-0.0 -0.989 126.0 44.6 -92.3 6.3 -59.4 29.8 -1.0 346 349 A H T <4 S+ 0 0 0 -3,-1.5 -79,-2.4 -80,-0.1 2,-0.3 0.923 118.1 51.8 -69.4 -48.9 -61.1 31.9 1.7 347 350 A R B < S-Q 266 0D 68 -4,-1.8 -81,-0.3 -81,-0.2 6,-0.0 -0.685 107.7-108.5 -76.4 145.4 -62.8 28.7 3.0 348 351 A L - 0 0 2 -83,-2.7 5,-0.1 -2,-0.3 -4,-0.1 -0.266 38.1 -81.0 -76.2 166.1 -60.1 26.1 3.5 349 352 A P >> - 0 0 24 0, 0.0 3,-1.4 0, 0.0 4,-0.9 -0.170 49.4-107.8 -60.8 156.4 -59.5 22.9 1.4 350 353 A P G >4 S+ 0 0 74 0, 0.0 3,-0.7 0, 0.0 8,-0.1 0.910 119.2 51.9 -68.4 -25.8 -61.9 20.2 2.3 351 354 A E G 34 S+ 0 0 137 1,-0.2 -3,-0.0 3,-0.0 0, 0.0 0.738 112.5 50.0 -72.0 -19.3 -59.1 18.0 4.1 352 355 A E G <4 S+ 0 0 40 -3,-1.4 2,-0.3 -87,-0.1 -1,-0.2 0.474 83.0 103.6-107.3 -3.4 -58.2 21.1 6.1 353 356 A M << - 0 0 30 -4,-0.9 -88,-0.2 -3,-0.7 -89,-0.1 -0.608 56.4-152.0 -91.1 141.7 -61.4 22.4 7.5 354 357 A E S S+ 0 0 125 -90,-0.9 2,-0.5 -91,-0.4 -1,-0.1 0.762 84.5 45.5 -75.3 -30.2 -62.3 21.8 11.1 355 358 A Y + 0 0 120 -92,-0.4 2,-0.3 -3,-0.0 -1,-0.1 -0.970 65.5 162.5-115.1 138.6 -66.1 21.9 10.3 356 359 A T - 0 0 91 -2,-0.5 4,-0.1 1,-0.0 -91,-0.0 -0.998 29.5-174.2-149.7 153.3 -67.9 20.2 7.5 357 360 A A > + 0 0 58 -2,-0.3 4,-2.5 2,-0.1 5,-0.1 0.083 59.2 114.2-121.2 19.9 -71.4 19.3 6.7 358 361 A L H > S+ 0 0 82 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.902 73.0 52.7 -68.7 -38.8 -70.3 17.4 3.6 359 362 A P H > S+ 0 0 92 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.941 110.2 47.9 -56.1 -54.1 -71.4 14.0 5.0 360 363 A K H > S+ 0 0 146 2,-0.2 4,-0.7 1,-0.2 -2,-0.2 0.893 114.6 47.4 -52.5 -44.2 -74.9 15.3 5.7 361 364 A I H >X S+ 0 0 79 -4,-2.5 4,-2.4 1,-0.2 3,-1.6 0.966 110.0 49.7 -59.6 -56.0 -75.0 16.8 2.2 362 365 A L H 3< S+ 0 0 121 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.735 108.2 56.9 -62.5 -18.8 -73.8 13.7 0.3 363 366 A A H 3< S+ 0 0 92 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.727 116.6 33.2 -78.3 -20.1 -76.4 11.7 2.3 364 367 A K H << S+ 0 0 147 -3,-1.6 2,-0.6 -4,-0.7 -2,-0.2 0.674 101.6 78.8-109.1 -23.9 -79.3 13.9 1.0 365 368 A V S < S- 0 0 87 -4,-2.4 -1,-0.1 -5,-0.1 -4,-0.0 -0.814 78.0-127.2-100.1 124.1 -78.3 14.9 -2.5 366 369 A K - 0 0 140 -2,-0.6 2,-0.3 1,-0.0 -3,-0.1 -0.505 22.0-149.5 -71.5 125.2 -78.8 12.4 -5.3 367 370 A P - 0 0 102 0, 0.0 -1,-0.0 0, 0.0 -5,-0.0 -0.661 4.4-156.2 -90.3 151.9 -75.7 11.7 -7.4 368 371 A Y - 0 0 91 -2,-0.3 2,-0.0 4,-0.0 -2,-0.0 -0.991 27.2-113.4-121.3 129.7 -75.9 10.6 -11.0 369 372 A P > - 0 0 79 0, 0.0 4,-3.2 0, 0.0 5,-0.2 -0.404 32.6-127.2 -49.9 130.9 -73.1 8.7 -12.7 370 373 A A H > S+ 0 0 76 1,-0.2 4,-1.9 2,-0.2 0, 0.0 0.830 104.2 51.5 -62.2 -30.6 -71.9 11.3 -15.1 371 374 A D H > S+ 0 0 144 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.943 114.3 41.5 -68.8 -46.8 -72.2 8.9 -18.1 372 375 A Q H >> S+ 0 0 107 1,-0.2 4,-1.2 2,-0.2 3,-0.9 0.962 112.8 55.3 -63.8 -51.2 -75.7 7.9 -17.4 373 376 A Y H 3X S+ 0 0 59 -4,-3.2 4,-0.6 1,-0.2 3,-0.4 0.868 98.3 63.2 -50.9 -45.0 -76.7 11.5 -16.5 374 377 A E H >< S+ 0 0 109 -4,-1.9 3,-0.6 1,-0.2 -1,-0.2 0.875 104.8 45.5 -51.1 -43.4 -75.5 12.8 -19.9 375 378 A K H << S+ 0 0 174 -4,-1.0 -1,-0.2 -3,-0.9 3,-0.2 0.854 122.0 36.2 -66.0 -37.0 -78.1 10.6 -21.9 376 379 A D H 3X S+ 0 0 50 -4,-1.2 4,-2.6 -3,-0.4 5,-0.2 0.152 76.4 116.6-108.0 16.9 -81.0 11.5 -19.6 377 380 A R H S+ 0 0 172 -4,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.883 111.3 46.4 -53.7 -44.5 -83.4 16.4 -20.5 379 382 A K H > S+ 0 0 125 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.897 112.2 49.7 -67.8 -41.4 -85.5 13.9 -18.5 380 383 A Y H X S+ 0 0 32 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.923 111.6 48.7 -67.8 -40.3 -83.9 14.8 -15.2 381 384 A I H X S+ 0 0 82 -4,-3.1 4,-2.6 -5,-0.2 -2,-0.2 0.934 110.0 50.8 -64.1 -45.5 -84.4 18.5 -15.8 382 385 A E H X S+ 0 0 109 -4,-2.1 4,-3.1 -5,-0.3 -2,-0.2 0.917 107.3 55.8 -58.3 -38.6 -88.0 18.1 -16.7 383 386 A A H < S+ 0 0 67 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.938 110.3 44.0 -53.9 -51.5 -88.5 16.0 -13.5 384 387 A V H < S+ 0 0 123 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.909 114.7 49.1 -62.9 -40.8 -87.2 18.9 -11.4 385 388 A V H < 0 0 117 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.949 360.0 360.0 -64.7 -47.8 -89.2 21.5 -13.4 386 389 A K < 0 0 199 -4,-3.1 -2,-0.2 -5,-0.2 -3,-0.2 0.987 360.0 360.0 -62.5 360.0 -92.5 19.4 -13.0