==== 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 3T2D . 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 . 390 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18040.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 288 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 94 24.1 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 . 2 0.5 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 . 30 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 23.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.1 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 1 2 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 . 3 0 4 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 . 1 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,-2.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 148.2 -26.6 28.8 34.8 2 2 A R E -A 119 0A 131 117,-0.3 2,-0.3 59,-0.1 117,-0.3 -0.693 360.0-174.7 -91.1 139.0 -28.9 26.8 32.6 3 3 A V E -A 118 0A 0 115,-2.7 115,-2.4 -2,-0.4 2,-0.4 -0.962 17.8-144.2-131.8 151.2 -32.5 27.8 32.5 4 4 A T E -AB 117 60A 0 56,-3.0 56,-2.0 -2,-0.3 2,-0.5 -0.965 9.0-161.4-114.9 135.5 -35.7 26.4 30.9 5 5 A V E -AB 116 59A 1 111,-2.7 111,-2.2 -2,-0.4 2,-0.4 -0.984 15.4-177.3-113.5 123.7 -38.3 28.7 29.5 6 6 A S E -AB 115 58A 0 52,-2.8 52,-3.0 -2,-0.5 2,-0.5 -0.985 17.4-167.6-125.3 128.8 -41.7 27.0 29.0 7 7 A I E -AB 114 57A 0 107,-3.1 107,-2.3 -2,-0.4 2,-0.5 -0.959 11.5-177.8-106.6 121.2 -44.9 28.4 27.6 8 8 A I E -AB 113 56A 4 48,-2.4 48,-2.6 -2,-0.5 2,-0.3 -0.989 11.3-175.3-123.0 122.3 -47.8 26.1 28.3 9 9 A K E +AB 112 55A 3 103,-2.7 103,-2.6 -2,-0.5 2,-0.3 -0.922 12.3 159.0-124.1 146.3 -51.1 27.3 26.8 10 10 A A E - B 0 54A 0 44,-2.3 44,-2.5 -2,-0.3 2,-0.6 -0.987 34.9-128.3-158.2 154.7 -54.7 26.2 26.8 11 11 A D + 0 0 0 -2,-0.3 85,-2.8 42,-0.2 86,-0.3 -0.946 30.6 164.4-101.5 119.1 -58.2 27.5 26.2 12 12 A V - 0 0 0 -2,-0.6 82,-2.1 1,-0.4 2,-0.1 0.033 66.5 -22.6-122.8 24.3 -60.4 26.6 29.2 13 13 A G - 0 0 0 39,-0.4 -1,-0.4 80,-0.3 9,-0.3 -0.327 58.5-126.9 140.9 144.4 -63.3 29.0 28.4 14 14 A G B -F 91 0B 1 77,-2.4 77,-2.0 3,-0.2 3,-0.5 -0.709 15.9-127.0-118.8 166.0 -64.2 32.1 26.6 15 15 A F S S- 0 0 90 5,-1.8 2,-0.1 1,-0.7 3,-0.1 -0.782 100.6 -2.3-153.1 89.8 -65.9 35.3 27.5 16 16 A P S > S- 0 0 98 0, 0.0 3,-2.4 0, 0.0 -1,-0.7 0.695 130.8 -48.4 -86.1 163.6 -68.2 35.5 25.5 17 17 A G T 3 S- 0 0 29 -3,-0.5 -3,-0.2 1,-0.3 3,-0.2 -0.314 112.6 -35.0 57.8-133.6 -68.0 32.6 23.0 18 18 A H T 3 S+ 0 0 23 -4,-0.2 34,-0.5 1,-0.1 -1,-0.3 0.011 115.3 100.9-104.9 21.4 -64.5 32.1 21.7 19 19 A A S < S- 0 0 18 -3,-2.4 274,-2.4 32,-0.1 2,-0.3 0.714 89.0 -27.6 -82.3 -27.1 -63.7 35.9 21.7 20 20 A H - 0 0 20 -4,-0.3 -5,-1.8 272,-0.2 2,-0.3 -0.931 64.2 -93.7-171.4 179.6 -61.7 36.5 24.8 21 21 A V - 0 0 3 -2,-0.3 -7,-0.1 30,-0.3 32,-0.1 -0.790 37.3-105.8-114.6 160.1 -61.0 35.2 28.3 22 22 A H >> - 0 0 27 -9,-0.3 3,-1.9 -2,-0.3 4,-0.9 -0.743 28.0-130.5 -79.8 134.7 -62.5 36.3 31.7 23 23 A P H 3> S+ 0 0 52 0, 0.0 4,-2.1 0, 0.0 3,-0.3 0.801 105.2 64.6 -63.5 -26.6 -60.0 38.4 33.6 24 24 A K H 3> S+ 0 0 103 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.744 94.8 61.0 -66.5 -22.6 -60.5 36.3 36.8 25 25 A M H <> S+ 0 0 0 -3,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.929 107.4 43.5 -66.3 -42.9 -59.1 33.4 34.9 26 26 A L H X S+ 0 0 1 -4,-0.9 4,-2.5 -3,-0.3 -2,-0.2 0.889 113.6 50.9 -65.6 -43.3 -55.8 35.2 34.5 27 27 A E H X S+ 0 0 65 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.920 111.2 48.5 -61.9 -40.3 -55.9 36.4 38.1 28 28 A Y H X S+ 0 0 67 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.943 112.6 48.1 -65.8 -48.5 -56.5 32.8 39.3 29 29 A A H X S+ 0 0 1 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.927 110.9 50.1 -60.6 -45.2 -53.7 31.5 37.2 30 30 A A H X S+ 0 0 7 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.917 110.7 50.2 -61.0 -41.2 -51.2 34.1 38.3 31 31 A A H X S+ 0 0 63 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.911 110.6 49.6 -65.2 -38.5 -52.1 33.5 42.0 32 32 A K H X S+ 0 0 29 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.928 111.9 47.5 -68.8 -43.8 -51.5 29.7 41.5 33 33 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.862 106.8 57.7 -67.8 -32.8 -48.1 30.3 39.8 34 34 A K H X S+ 0 0 129 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.908 106.6 49.5 -62.1 -38.0 -47.1 32.7 42.6 35 35 A E H X S+ 0 0 88 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.893 110.4 49.9 -66.1 -43.3 -47.7 29.9 45.1 36 36 A A H <>S+ 0 0 0 -4,-2.0 5,-2.3 1,-0.2 6,-0.6 0.910 109.9 51.5 -62.3 -38.4 -45.6 27.5 42.9 37 37 A Q H ><5S+ 0 0 58 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.926 107.1 52.3 -62.3 -46.0 -42.9 30.1 42.9 38 38 A K H 3<5S+ 0 0 171 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.861 110.8 49.1 -60.6 -36.7 -43.0 30.5 46.7 39 39 A R T 3<5S- 0 0 143 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.465 117.3-113.9 -79.0 -4.1 -42.6 26.7 46.9 40 40 A G T < 5S+ 0 0 51 -3,-1.5 -3,-0.2 -4,-0.3 -2,-0.1 0.575 81.5 123.1 80.8 12.8 -39.6 26.7 44.5 41 41 A V S S-C 53 0A 0 3,-1.7 3,-2.0 -2,-0.3 242,-0.1 -0.985 78.2 -40.5-129.1 121.2 -54.6 36.3 23.1 51 51 A G T 3 S- 0 0 0 240,-2.1 -30,-0.3 -2,-0.4 239,-0.2 -0.390 126.9 -20.2 58.5-134.1 -58.2 35.8 22.2 52 52 A D T 3 S+ 0 0 2 -34,-0.5 2,-0.5 -32,-0.2 -39,-0.4 0.231 115.5 100.8 -90.5 14.2 -59.5 32.8 24.1 53 53 A D E < - C 0 50A 3 -3,-2.0 -3,-1.7 -42,-0.1 2,-0.5 -0.890 56.5-155.1-109.2 125.1 -56.1 31.2 24.8 54 54 A I E -BC 10 49A 2 -44,-2.5 -44,-2.3 -2,-0.5 2,-0.5 -0.835 7.6-159.1-100.4 122.0 -54.2 31.6 28.1 55 55 A S E -BC 9 48A 0 -7,-3.0 -7,-1.9 -2,-0.5 2,-0.7 -0.891 4.8-160.7 -95.9 129.5 -50.4 31.3 28.0 56 56 A L E -BC 8 47A 0 -48,-2.6 -48,-2.4 -2,-0.5 2,-0.6 -0.928 10.7-166.0-106.8 104.3 -48.6 30.4 31.2 57 57 A L E +BC 7 46A 0 -11,-2.6 -11,-2.1 -2,-0.7 2,-0.4 -0.837 15.2 176.9 -89.8 124.6 -45.0 31.5 30.6 58 58 A M E -BC 6 45A 0 -52,-3.0 -52,-2.8 -2,-0.6 2,-0.4 -0.994 21.7-155.9-134.9 137.5 -42.8 29.9 33.3 59 59 A T E +BC 5 44A 0 -15,-2.3 -16,-2.6 -2,-0.4 -15,-1.3 -0.880 33.5 136.3-109.5 144.4 -39.0 29.9 34.0 60 60 A H E -B 4 0A 1 -56,-2.0 -56,-3.0 -2,-0.4 3,-0.1 -0.938 56.4-115.0-168.3 179.4 -37.5 27.1 35.9 61 61 A T S S+ 0 0 87 -2,-0.3 -59,-0.1 -20,-0.3 -19,-0.1 0.033 81.4 100.1-123.7 27.5 -34.5 24.7 36.1 62 62 A K S S- 0 0 71 1,-0.2 -1,-0.1 -21,-0.1 6,-0.1 0.461 80.3-127.0 -95.3 -0.5 -36.3 21.4 35.6 63 63 A G > - 0 0 9 -3,-0.1 3,-0.6 53,-0.1 -1,-0.2 -0.098 40.3 -42.8 80.3 173.9 -35.5 20.9 31.9 64 64 A E T 3 S+ 0 0 73 1,-0.2 -58,-0.0 51,-0.1 5,-0.0 -0.379 120.6 20.4 -72.8 155.6 -37.8 20.3 28.9 65 65 A D T 3 S+ 0 0 125 1,-0.2 2,-0.5 -2,-0.1 -1,-0.2 0.844 83.8 169.1 57.2 39.5 -40.6 17.8 29.0 66 66 A N <> - 0 0 37 -3,-0.6 4,-2.9 1,-0.1 5,-0.3 -0.692 34.3-148.2 -92.0 128.2 -40.7 17.9 32.8 67 67 A K H > S+ 0 0 172 -2,-0.5 4,-2.0 1,-0.2 -1,-0.1 0.798 96.1 53.4 -62.1 -33.9 -43.6 16.2 34.4 68 68 A D H > S+ 0 0 101 2,-0.2 4,-2.3 3,-0.2 -1,-0.2 0.913 113.9 41.5 -68.2 -45.6 -43.7 18.6 37.4 69 69 A I H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.930 117.6 46.0 -69.2 -47.8 -43.9 21.7 35.1 70 70 A H H X S+ 0 0 53 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.905 115.0 49.3 -60.5 -39.3 -46.3 20.2 32.7 71 71 A G H X S+ 0 0 35 -4,-2.0 4,-2.9 -5,-0.3 5,-0.2 0.888 106.2 55.1 -68.5 -36.9 -48.4 19.0 35.6 72 72 A L H X S+ 0 0 12 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.940 111.4 46.0 -60.0 -45.5 -48.4 22.4 37.3 73 73 A A H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.940 112.4 49.2 -63.4 -46.4 -49.8 23.9 34.1 74 74 A W H X S+ 0 0 115 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.934 112.3 48.3 -59.1 -47.3 -52.4 21.2 33.8 75 75 A E H X S+ 0 0 93 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.877 110.2 51.9 -61.7 -38.7 -53.5 21.6 37.3 76 76 A T H X S+ 0 0 0 -4,-2.2 4,-2.8 -5,-0.2 -2,-0.2 0.960 112.0 45.9 -63.0 -44.3 -53.7 25.4 36.9 77 77 A F H X S+ 0 0 2 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.870 112.5 50.7 -65.7 -37.5 -55.9 25.0 33.9 78 78 A K H X S+ 0 0 78 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.911 112.5 46.9 -68.0 -41.8 -58.1 22.4 35.6 79 79 A E H X S+ 0 0 56 -4,-2.7 4,-3.0 2,-0.2 5,-0.4 0.900 110.8 51.0 -69.5 -37.3 -58.5 24.7 38.6 80 80 A V H X>S+ 0 0 1 -4,-2.8 5,-2.5 2,-0.2 4,-2.1 0.918 111.4 50.9 -60.0 -43.0 -59.3 27.6 36.4 81 81 A T H <>S+ 0 0 0 -4,-2.2 5,-2.8 3,-0.2 6,-0.3 0.948 118.2 35.5 -53.0 -54.8 -61.9 25.4 34.7 82 82 A D H <5S+ 0 0 62 -4,-2.6 -2,-0.2 3,-0.2 -1,-0.2 0.884 125.3 37.3 -77.2 -34.8 -63.5 24.3 37.9 83 83 A Q H <5S+ 0 0 89 -4,-3.0 -3,-0.2 -5,-0.2 -1,-0.2 0.721 134.6 10.4 -88.8 -29.9 -63.3 27.5 40.0 84 84 A I T X5S+ 0 0 11 -4,-2.1 4,-2.1 -5,-0.4 -3,-0.2 0.726 125.2 43.9-116.6 -59.8 -63.8 30.1 37.3 85 85 A A T 4XS+ 0 0 0 -5,-2.5 5,-2.6 1,-0.2 4,-0.4 0.933 119.5 41.3 -66.1 -41.9 -65.0 28.9 33.9 86 86 A K T >4 < - 0 0 17 -5,-2.6 3,-1.4 -6,-0.2 2,-0.3 -0.131 30.1 -88.1 -65.4 159.8 -68.0 30.3 30.2 91 91 A Y B 3 S+F 14 0B 78 -77,-2.0 -77,-2.4 1,-0.3 12,-0.2 -0.509 111.5 3.7 -79.9 126.6 -68.2 29.2 26.7 92 92 A G T > S- 0 0 0 10,-2.1 3,-2.8 -2,-0.3 -1,-0.3 0.904 88.2-162.0 66.2 36.3 -66.3 26.0 26.1 93 93 A A T < S+ 0 0 13 -3,-1.4 9,-0.3 1,-0.3 -80,-0.3 -0.322 78.8 6.0 -53.6 125.5 -65.4 25.8 29.8 94 94 A G T >> S+ 0 0 0 -82,-2.1 4,-2.4 -17,-0.1 3,-2.0 0.623 89.3 163.4 71.8 19.7 -62.5 23.4 30.1 95 95 A Q T <4 S+ 0 0 2 -3,-2.8 13,-2.6 1,-0.3 6,-0.3 0.745 70.5 34.6 -41.1 -57.9 -62.3 23.3 26.2 96 96 A D T 34 S+ 0 0 13 -85,-2.8 14,-2.6 11,-0.3 -1,-0.3 0.582 125.0 43.0 -82.0 -11.1 -58.8 21.9 25.7 97 97 A L T <4 S+ 0 0 13 -3,-2.0 2,-0.5 -86,-0.3 -2,-0.2 0.650 108.0 58.5-100.2 -28.0 -59.0 19.6 28.8 98 98 A L >< - 0 0 24 -4,-2.4 3,-1.9 1,-0.1 10,-0.4 -0.950 59.3-157.9-116.5 115.6 -62.5 18.1 28.5 99 99 A K T 3 S+ 0 0 131 -2,-0.5 8,-0.2 1,-0.3 -1,-0.1 0.781 99.1 49.5 -60.4 -24.9 -63.7 16.2 25.5 100 100 A D T 3 S+ 0 0 124 2,-0.1 -1,-0.3 -6,-0.1 -5,-0.1 0.106 78.0 142.6-102.2 20.1 -67.3 17.0 26.5 101 101 A A < - 0 0 5 -3,-1.9 2,-1.8 -6,-0.3 -7,-0.1 -0.246 65.9-101.2 -52.1 152.7 -66.8 20.7 27.0 102 102 A F S S+ 0 0 173 -9,-0.3 -10,-2.1 -12,-0.2 -9,-0.3 -0.574 89.6 88.4 -85.4 79.6 -69.8 22.9 25.9 103 103 A S S S- 0 0 10 -2,-1.8 4,-0.1 -11,-0.2 -12,-0.0 -0.917 73.5-127.8-157.6 169.3 -68.6 24.1 22.6 104 104 A G S S+ 0 0 46 -2,-0.3 3,-0.1 2,-0.1 2,-0.1 0.396 78.6 83.8-106.4 2.5 -68.7 22.7 19.0 105 105 A N S S- 0 0 20 1,-0.2 2,-0.4 253,-0.0 -2,-0.1 -0.162 98.3 -51.8 -96.0-172.6 -65.0 22.8 18.1 106 106 A I - 0 0 52 -2,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.520 68.1-177.2 -71.0 121.8 -62.1 20.4 18.8 107 107 A R + 0 0 81 -2,-0.4 -11,-0.3 -8,-0.2 -8,-0.2 -0.829 45.8 21.9-121.3 154.9 -62.1 19.7 22.5 108 108 A G S S+ 0 0 18 -13,-2.6 -9,-0.2 -10,-0.4 -12,-0.2 0.553 71.3 124.3 74.2 14.1 -60.0 17.7 25.0 109 109 A M - 0 0 40 1,-0.2 -12,-0.2 -14,-0.2 -13,-0.1 0.608 68.9-122.4 -84.1 -15.5 -56.7 17.5 23.0 110 110 A G - 0 0 11 -14,-2.6 -1,-0.2 -15,-0.1 -13,-0.1 -0.128 33.4 -48.4 104.1 167.1 -54.7 19.1 25.8 111 111 A P - 0 0 21 0, 0.0 2,-0.3 0, 0.0 -101,-0.2 -0.214 52.2-123.4 -60.6 164.1 -52.5 22.1 26.3 112 112 A Q E -A 9 0A 1 -103,-2.6 -103,-2.7 122,-0.1 2,-0.4 -0.840 19.7-152.9-112.3 157.0 -49.6 23.1 24.0 113 113 A V E +A 8 0A 40 -2,-0.3 2,-0.4 -105,-0.2 106,-0.3 -0.989 19.3 176.6-131.4 133.4 -46.1 23.6 24.8 114 114 A A E +A 7 0A 2 -107,-2.3 -107,-3.1 -2,-0.4 2,-0.3 -0.985 28.6 160.3-126.0 121.7 -43.2 25.7 23.5 115 115 A E E -A 6 0A 8 -2,-0.4 2,-0.3 -109,-0.2 -109,-0.2 -0.990 21.2-175.2-146.7 152.5 -40.0 25.3 25.6 116 116 A M E -A 5 0A 3 -111,-2.2 -111,-2.7 -2,-0.3 2,-0.4 -0.995 9.5-157.3-143.5 141.3 -36.2 25.7 25.4 117 117 A E E +A 4 0A 65 -2,-0.3 2,-0.3 -113,-0.2 -113,-0.2 -0.977 32.0 140.1-117.3 138.2 -33.4 25.0 27.8 118 118 A F E -A 3 0A 5 -115,-2.4 -115,-2.7 -2,-0.4 2,-0.5 -0.986 58.1 -82.0-165.9 162.5 -30.1 26.8 27.5 119 119 A E E -A 2 0A 99 -2,-0.3 -117,-0.3 -117,-0.3 2,-0.2 -0.673 56.5-114.8 -73.1 123.7 -27.2 28.5 29.3 120 120 A E - 0 0 22 -119,-2.8 4,-0.1 -2,-0.5 -1,-0.1 -0.410 34.0-132.9 -65.9 124.2 -28.5 32.0 30.1 121 121 A R - 0 0 47 -2,-0.2 3,-0.2 1,-0.1 -1,-0.1 -0.217 28.7 -94.3 -73.6 169.7 -26.4 34.5 28.2 122 122 A P S S+ 0 0 148 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.826 124.9 16.2 -60.2 -27.3 -24.8 37.7 29.6 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46.5 -57.9 -43.9 -60.0 41.0 6.2 338 338 A D H X S+ 0 0 78 -4,-1.7 4,-0.8 1,-0.2 -2,-0.2 0.926 113.4 49.2 -66.8 -44.4 -62.9 43.0 4.6 339 339 A Y H >< S+ 0 0 155 -4,-2.4 3,-0.9 1,-0.2 4,-0.2 0.942 113.6 44.0 -56.7 -52.5 -61.8 42.1 1.0 340 340 A I H >< S+ 0 0 10 -4,-2.8 3,-2.0 1,-0.3 4,-0.2 0.845 103.3 65.1 -71.4 -32.1 -61.5 38.4 1.6 341 341 A R H >< S+ 0 0 50 -4,-1.9 3,-1.9 -5,-0.3 -1,-0.3 0.774 85.8 72.4 -61.8 -23.6 -64.7 38.1 3.6 342 342 A R T << S+ 0 0 216 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.645 85.5 69.7 -68.4 -9.5 -66.7 39.0 0.5 343 343 A M T X S- 0 0 58 -3,-2.0 3,-1.1 -4,-0.2 -1,-0.3 0.644 79.6-178.6 -76.3 -19.6 -65.9 35.6 -0.8 344 344 A G T < + 0 0 18 -3,-1.9 -1,-0.2 1,-0.2 2,-0.1 -0.179 62.3 0.5 58.7-131.7 -68.1 33.9 1.7 345 345 A P T 3 S+ 0 0 92 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.190 104.3 107.1 -80.0 15.4 -68.1 30.1 1.5 346 346 A F X> - 0 0 140 -3,-1.1 4,-1.9 -2,-0.1 3,-1.3 -0.819 68.1 -83.2-102.3 138.0 -65.6 29.6 -1.4 347 347 A Q T 34 S+ 0 0 101 -2,-0.4 4,-0.1 1,-0.3 -78,-0.0 -0.434 108.0 35.6 -59.6 147.0 -62.0 28.4 -1.4 348 348 A P T 34 S+ 0 0 97 0, 0.0 -1,-0.3 0, 0.0 -78,-0.0 -0.990 126.4 44.1 -91.8 6.3 -59.5 29.8 -1.0 349 349 A H T <4 S+ 0 0 0 -3,-1.3 -79,-2.1 -80,-0.1 2,-0.3 0.946 118.0 51.8 -67.5 -47.5 -61.2 31.9 1.7 350 350 A R B < S-Q 269 0D 61 -4,-1.9 -81,-0.3 -81,-0.2 6,-0.0 -0.687 106.8-110.6 -76.6 146.4 -62.8 28.7 2.9 351 351 A L - 0 0 6 -83,-2.6 5,-0.1 -2,-0.3 -4,-0.1 -0.248 37.7 -79.7 -78.0 164.6 -60.1 26.1 3.5 352 352 A P >> - 0 0 23 0, 0.0 3,-1.6 0, 0.0 4,-0.8 -0.237 51.6-106.5 -58.4 151.8 -59.5 22.9 1.5 353 353 A P G >4 S+ 0 0 56 0, 0.0 3,-0.7 0, 0.0 8,-0.1 0.838 118.9 49.8 -59.4 -34.9 -62.0 20.2 2.5 354 354 A E G 34 S+ 0 0 128 1,-0.2 -125,-0.3 -126,-0.0 -3,-0.0 0.671 110.3 53.6 -75.5 -16.8 -59.5 18.1 4.4 355 355 A E G <4 S+ 0 0 63 -3,-1.6 2,-0.3 -87,-0.1 -1,-0.2 0.500 83.0 108.7 -95.3 -8.6 -58.3 21.2 6.3 356 356 A M << - 0 0 18 -4,-0.8 -88,-0.2 -3,-0.7 -89,-0.1 -0.566 53.7-159.6 -75.7 127.9 -61.7 22.3 7.5 357 357 A E S S+ 0 0 43 -90,-0.9 2,-0.4 -91,-0.5 -1,-0.2 0.771 84.6 40.4 -73.5 -32.5 -62.4 21.8 11.2 358 358 A Y S S+ 0 0 65 -92,-0.5 2,-0.3 -253,-0.0 -1,-0.1 -0.975 71.3 164.0-113.8 139.8 -66.2 22.0 10.6 359 359 A T - 0 0 52 -2,-0.4 4,-0.1 1,-0.1 -91,-0.0 -0.997 31.1-171.6-151.9 148.1 -67.9 20.3 7.6 360 360 A A > + 0 0 56 -2,-0.3 4,-2.4 2,-0.1 5,-0.2 0.172 59.1 113.1-112.1 12.6 -71.4 19.4 6.6 361 361 A L H > S+ 0 0 84 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.874 75.0 51.4 -61.9 -44.4 -70.3 17.4 3.5 362 362 A P H > S+ 0 0 92 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.927 110.7 48.6 -58.2 -43.0 -71.3 14.0 4.9 363 363 A K H > S+ 0 0 146 2,-0.2 4,-0.7 1,-0.2 -2,-0.2 0.909 113.8 48.2 -55.4 -44.1 -74.8 15.4 5.7 364 364 A I H >X S+ 0 0 80 -4,-2.4 4,-2.6 1,-0.2 3,-1.5 0.944 110.5 48.9 -61.5 -56.0 -75.0 16.8 2.2 365 365 A L H 3< S+ 0 0 121 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.729 105.9 60.0 -62.7 -20.7 -73.8 13.7 0.4 366 366 A A H 3< S+ 0 0 88 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.707 117.0 29.8 -78.1 -18.5 -76.4 11.7 2.4 367 367 A K H << S+ 0 0 151 -3,-1.5 2,-0.5 -4,-0.7 -2,-0.2 0.714 98.9 82.1-108.4 -31.2 -79.2 13.7 1.0 368 368 A V S < S- 0 0 89 -4,-2.6 -1,-0.0 -5,-0.1 -4,-0.0 -0.671 77.4-125.2 -88.5 127.4 -78.3 14.9 -2.5 369 369 A K - 0 0 140 -2,-0.5 2,-0.3 1,-0.0 -1,-0.1 -0.505 23.1-149.3 -72.6 126.4 -78.9 12.3 -5.2 370 370 A P - 0 0 99 0, 0.0 -1,-0.0 0, 0.0 -5,-0.0 -0.665 5.1-157.9 -90.7 154.1 -75.8 11.6 -7.4 371 371 A Y - 0 0 92 -2,-0.3 5,-0.0 4,-0.0 -2,-0.0 -0.991 27.3-115.3-126.4 122.9 -76.0 10.6 -11.0 372 372 A P > - 0 0 102 0, 0.0 4,-2.6 0, 0.0 5,-0.1 -0.422 33.5-126.2 -48.4 131.3 -73.1 8.7 -12.7 373 373 A A H > S+ 0 0 74 2,-0.2 4,-1.7 1,-0.2 0, 0.0 0.829 101.4 52.1 -61.2 -35.1 -71.9 11.2 -15.3 374 374 A D H > S+ 0 0 142 1,-0.2 4,-0.9 2,-0.2 3,-0.2 0.974 114.9 41.3 -72.1 -39.3 -72.0 9.0 -18.3 375 375 A Q H >> S+ 0 0 87 1,-0.2 4,-1.4 2,-0.2 3,-0.5 0.901 106.8 64.1 -74.6 -34.1 -75.6 8.0 -17.8 376 376 A Y H 3X S+ 0 0 57 -4,-2.6 4,-1.1 1,-0.2 3,-0.4 0.893 93.2 62.7 -54.3 -43.1 -76.6 11.5 -16.7 377 377 A E H 3< S+ 0 0 113 -4,-1.7 3,-0.4 1,-0.2 4,-0.3 0.888 106.6 44.1 -50.9 -41.7 -75.8 12.8 -20.2 378 378 A K H << S+ 0 0 143 -4,-0.9 -1,-0.2 -3,-0.5 4,-0.2 0.838 121.2 38.8 -69.4 -30.4 -78.5 10.6 -21.7 379 379 A D H X S+ 0 0 25 -4,-1.4 4,-3.0 -3,-0.4 5,-0.2 0.360 82.2 106.1-101.9 -4.0 -81.1 11.4 -19.1 380 380 A R H X S+ 0 0 100 -4,-1.1 4,-3.5 -3,-0.4 5,-0.3 0.943 81.8 48.2 -52.1 -48.3 -80.4 15.1 -18.5 381 381 A K H > S+ 0 0 140 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.916 113.4 48.6 -58.9 -44.2 -83.5 16.4 -20.3 382 382 A K H > S+ 0 0 112 -4,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.934 112.3 47.9 -58.8 -42.4 -85.6 13.9 -18.4 383 383 A Y H X S+ 0 0 49 -4,-3.0 4,-2.7 2,-0.2 -2,-0.2 0.932 111.5 49.5 -68.9 -39.7 -84.1 14.9 -15.1 384 384 A I H X S+ 0 0 88 -4,-3.5 4,-2.6 -5,-0.2 -1,-0.2 0.938 110.7 50.1 -62.3 -43.1 -84.5 18.6 -15.8 385 385 A E H X S+ 0 0 99 -4,-2.4 4,-3.0 -5,-0.3 5,-0.4 0.914 108.7 54.2 -60.5 -36.3 -88.2 18.1 -16.8 386 386 A A H X S+ 0 0 55 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.926 110.9 44.2 -67.9 -39.1 -88.6 16.1 -13.6 387 387 A V H < S+ 0 0 112 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.915 114.8 49.8 -66.0 -42.9 -87.3 19.0 -11.5 388 388 A V H < S+ 0 0 113 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.938 120.1 34.6 -57.6 -52.9 -89.3 21.5 -13.5 389 389 A K H < 0 0 171 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.945 360.0 360.0 -64.8 -56.8 -92.6 19.5 -13.1 390 390 A G < 0 0 95 -4,-2.7 -1,-0.3 -5,-0.4 -2,-0.2 0.783 360.0 360.0 -29.7 360.0 -91.7 18.3 -9.7