==== 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(PHOSPHORIC MONOESTER) 16-OCT-92 1FBG . COMPND 2 MOLECULE: FRUCTOSE 1,6-BISPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR Y.ZHANG,J.-Y.LIANG,S.HUANG,H.KE,W.N.LIPSCOMB . 626 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25292.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 465 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 118 18.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 6 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 3 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 . 41 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 159 25.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 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 0 0 0 2 2 4 2 0 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 1 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 PARALLEL BRIDGES PER LADDER . 8 2 1 2 1 3 5 1 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 2 0 0 2 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 7 A D > 0 0 148 0, 0.0 3,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 128.6 40.5 90.1 -11.4 2 8 A T T 3 + 0 0 153 1,-0.3 2,-0.6 2,-0.0 0, 0.0 0.790 360.0 40.9 -64.7 -33.1 43.3 91.7 -13.5 3 9 A N T 3 S+ 0 0 99 2,-0.1 2,-0.5 3,-0.0 -1,-0.3 -0.641 79.0 174.0-114.7 71.4 43.3 95.1 -11.8 4 10 A I < - 0 0 55 -2,-0.6 2,-0.9 -3,-0.5 5,-0.1 -0.674 26.4-142.0 -71.5 120.1 43.0 93.9 -8.3 5 11 A V - 0 0 30 -2,-0.5 168,-1.7 168,-0.2 2,-0.1 -0.816 25.8-163.7 -82.7 109.0 43.3 96.9 -6.0 6 12 A T B > -A 172 0A 15 -2,-0.9 4,-2.8 166,-0.2 166,-0.2 -0.348 31.8-110.9 -85.1 178.4 45.3 95.5 -3.0 7 13 A L H > S+ 0 0 4 164,-1.9 4,-3.5 2,-0.2 5,-0.2 0.982 123.0 48.8 -65.6 -51.7 45.7 97.0 0.4 8 14 A T H > S+ 0 0 38 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.912 112.2 47.8 -56.1 -45.4 49.3 97.7 -0.3 9 15 A R H > S+ 0 0 81 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.983 115.0 47.8 -57.4 -54.2 48.3 99.3 -3.7 10 16 A F H X S+ 0 0 23 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.886 113.3 45.3 -52.0 -51.1 45.7 101.3 -1.9 11 17 A V H X S+ 0 0 3 -4,-3.5 4,-2.4 2,-0.2 5,-0.2 0.971 112.5 51.1 -60.5 -53.6 48.0 102.4 0.9 12 18 A M H X S+ 0 0 104 -4,-2.4 4,-1.9 1,-0.3 -1,-0.2 0.835 108.5 52.0 -54.3 -43.9 50.9 103.3 -1.4 13 19 A E H X S+ 0 0 80 -4,-2.4 4,-0.8 -5,-0.3 3,-0.4 0.956 111.8 44.4 -63.2 -47.6 48.6 105.4 -3.6 14 20 A Q H < S+ 0 0 48 -4,-2.2 3,-0.3 1,-0.2 4,-0.3 0.844 111.5 56.9 -72.1 -18.7 47.3 107.5 -0.6 15 21 A G H >X>S+ 0 0 27 -4,-2.4 3,-1.5 1,-0.2 4,-0.8 0.850 95.9 61.8 -74.8 -31.8 50.9 107.8 0.7 16 22 A R H 3<5S+ 0 0 186 -4,-1.9 3,-0.5 -3,-0.4 -1,-0.2 0.850 98.4 59.5 -58.7 -30.3 52.2 109.4 -2.5 17 23 A K T 3<5S+ 0 0 148 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.582 101.3 52.4 -72.8 -17.7 49.8 112.2 -1.7 18 24 A A T <45S- 0 0 77 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.2 0.682 105.6-130.2 -89.0 -17.9 51.5 112.9 1.6 19 25 A R T <5 + 0 0 223 -4,-0.8 -3,-0.2 -3,-0.5 2,-0.1 0.992 56.9 156.5 61.3 66.0 54.8 113.1 -0.2 20 26 A G < - 0 0 56 -5,-0.8 -1,-0.1 1,-0.0 -5,-0.0 -0.419 59.4 -95.4-113.2-170.4 56.2 110.8 2.3 21 27 A T - 0 0 96 -2,-0.1 -5,-0.1 -3,-0.1 -6,-0.0 0.441 54.4-116.1 -84.7 -13.2 59.0 108.2 3.0 22 28 A G S > S+ 0 0 36 -7,-0.1 4,-1.6 -10,-0.1 5,-0.1 0.427 80.6 122.5 83.0 6.7 57.0 105.1 2.1 23 29 A E H > + 0 0 29 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.900 66.7 56.3 -69.7 -37.1 57.1 103.8 5.8 24 30 A M H > S+ 0 0 20 1,-0.3 4,-3.3 2,-0.2 5,-0.3 0.921 110.1 48.8 -57.4 -42.6 53.3 103.6 6.3 25 31 A T H > S+ 0 0 19 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.833 112.8 45.8 -63.7 -41.1 53.3 101.4 3.3 26 32 A Q H X S+ 0 0 74 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.947 115.8 47.9 -69.5 -40.1 56.2 99.3 4.7 27 33 A L H X S+ 0 0 0 -4,-3.3 4,-3.3 2,-0.2 3,-0.2 0.959 115.8 40.5 -64.3 -60.1 54.6 99.1 8.1 28 34 A L H X S+ 0 0 4 -4,-3.3 4,-2.8 1,-0.3 -1,-0.2 0.891 113.3 56.7 -60.8 -35.4 51.2 98.1 7.0 29 35 A N H X S+ 0 0 71 -4,-1.9 4,-1.1 -5,-0.3 -1,-0.3 0.885 112.2 41.5 -65.5 -34.6 52.7 95.8 4.4 30 36 A S H >X S+ 0 0 24 -4,-2.2 4,-1.3 -3,-0.2 3,-0.7 0.958 108.5 60.2 -75.0 -39.4 54.5 94.0 7.1 31 37 A L H >X S+ 0 0 8 -4,-3.3 4,-2.0 1,-0.3 3,-1.0 0.913 99.9 57.0 -54.2 -45.4 51.5 94.1 9.4 32 38 A C H 3X S+ 0 0 11 -4,-2.8 4,-2.4 1,-0.3 -1,-0.3 0.862 98.6 59.6 -57.0 -39.2 49.6 92.2 6.8 33 39 A T H < S+ 0 0 23 -4,-2.6 3,-0.8 -5,-0.3 -2,-0.2 0.916 111.3 43.2 -55.6 -38.7 47.2 79.6 12.5 42 48 A V H >< S+ 0 0 4 -4,-2.7 3,-2.2 1,-0.2 -1,-0.2 0.940 101.5 65.0 -77.2 -43.0 43.6 79.9 13.6 43 49 A R H 3< S+ 0 0 65 -4,-2.1 422,-0.4 1,-0.3 -1,-0.2 0.642 121.7 23.1 -58.4 -14.4 41.9 78.2 10.7 44 50 A K T X< S+ 0 0 106 -4,-1.0 3,-2.0 -3,-0.8 2,-2.0 0.133 85.3 126.3-129.6 23.3 43.7 74.9 11.8 45 51 A A T < S+ 0 0 38 -3,-2.2 3,-0.1 1,-0.3 -3,-0.1 -0.595 74.9 48.2 -83.1 88.0 44.3 75.7 15.5 46 52 A G T 3 S+ 0 0 43 -2,-2.0 2,-0.6 1,-0.4 -1,-0.3 0.101 82.9 97.9 165.3 -27.6 42.7 72.7 16.6 47 53 A I < 0 0 40 -3,-2.0 -1,-0.4 433,-0.1 443,-0.1 -0.803 360.0 360.0 -86.3 115.4 44.3 70.0 14.4 48 54 A A 0 0 151 -2,-0.6 -3,-0.0 -3,-0.1 0, 0.0 -0.778 360.0 360.0-160.4 360.0 47.2 68.3 16.4 49 ! 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 50 72 A K >> 0 0 208 0, 0.0 3,-2.3 0, 0.0 4,-1.0 0.000 360.0 360.0 360.0 -48.6 49.4 80.4 24.1 51 73 A L H >> + 0 0 41 1,-0.3 4,-1.8 2,-0.2 3,-0.8 0.980 360.0 70.1 -53.6 -43.9 48.5 81.1 20.4 52 74 A D H 3> S+ 0 0 25 1,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.604 92.1 54.4 -33.0 -37.8 48.8 84.6 21.7 53 75 A V H <> S+ 0 0 79 -3,-2.3 4,-3.1 2,-0.2 5,-0.3 0.947 108.0 45.5 -80.3 -45.8 52.6 84.1 22.0 54 76 A L H <>S+ 0 0 0 -4,-2.2 3,-0.9 2,-0.2 5,-0.6 0.860 110.1 51.2 -59.5 -35.4 57.1 95.4 12.8 64 86 A K H ><5S+ 0 0 45 -4,-3.0 3,-2.4 1,-0.3 5,-0.3 0.996 111.7 47.3 -63.1 -52.9 60.8 95.5 13.7 65 87 A S H 3<5S+ 0 0 55 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.565 91.2 81.6 -68.7 -2.0 61.8 94.4 10.2 66 88 A S T <<5S- 0 0 5 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.712 89.1-142.5 -70.1 -22.0 59.5 96.9 8.7 67 89 A F T < 5S+ 0 0 104 -3,-2.4 -2,-0.1 -4,-0.4 -3,-0.1 0.703 80.9 92.9 61.6 21.8 62.2 99.5 9.3 68 90 A A < + 0 0 0 -5,-0.6 23,-2.1 -4,-0.2 2,-0.2 0.423 68.5 66.7-122.4 0.1 59.3 101.8 10.1 69 91 A T E +b 91 0A 0 -6,-0.5 20,-2.3 18,-0.4 23,-0.2 -0.590 36.1 175.1-115.6-179.8 58.8 101.6 13.8 70 92 A C E S+ 0 0 2 21,-1.5 13,-2.2 1,-0.5 2,-0.4 0.360 75.6 33.3-153.8 -19.5 60.5 102.6 17.0 71 93 A V E -bC 92 82A 0 20,-0.9 22,-1.9 11,-0.2 -1,-0.5 -0.991 60.1-175.7-142.4 133.6 58.2 101.9 19.9 72 94 A L E -bC 93 81A 0 9,-2.1 9,-2.3 -2,-0.4 2,-0.5 -0.997 6.8-162.9-132.4 125.1 55.7 99.0 20.0 73 95 A V E -b 94 0A 0 20,-2.1 22,-2.9 -2,-0.4 2,-0.3 -0.948 13.4-169.4-110.0 127.0 53.3 98.5 22.9 74 96 A T E > -b 95 0A 0 -2,-0.5 3,-0.9 5,-0.3 22,-0.2 -0.858 35.2-133.8-117.9 158.2 51.6 95.1 23.4 75 97 A E T 3 S+ 0 0 27 20,-0.8 2,-0.3 -2,-0.3 -1,-0.2 0.979 111.8 51.8 -52.9 -53.3 48.7 93.6 25.5 76 98 A E T 3 S+ 0 0 86 -24,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.150 98.2 67.2 -79.6 15.1 51.1 90.8 26.1 77 99 A D < - 0 0 72 -3,-0.9 -3,-0.2 -2,-0.3 4,-0.1 -0.996 67.7-134.9-140.6 142.3 54.4 92.5 27.3 78 100 A K S S+ 0 0 175 -2,-0.3 -1,-0.2 -5,-0.1 2,-0.1 0.990 87.3 21.7 -57.7 -66.4 55.3 94.4 30.5 79 101 A N S S- 0 0 82 1,-0.2 -5,-0.3 -6,-0.0 2,-0.0 -0.395 94.7 -88.2 -96.8 174.4 57.1 97.4 29.1 80 102 A A - 0 0 18 -7,-0.1 2,-0.5 -2,-0.1 -7,-0.2 -0.215 40.4-115.4 -68.9 168.7 57.1 98.9 25.7 81 103 A I E -C 72 0A 28 -9,-2.3 -9,-2.1 45,-0.1 2,-0.5 -0.953 22.4-157.1-113.0 126.2 59.5 97.7 23.0 82 104 A I E -C 71 0A 62 -2,-0.5 -11,-0.2 -11,-0.2 2,-0.2 -0.922 21.5-124.7-106.8 130.6 62.1 100.1 21.7 83 105 A V - 0 0 1 -13,-2.2 5,-0.2 -2,-0.5 -19,-0.0 -0.468 23.9-103.6 -78.4 140.4 63.4 99.3 18.3 84 106 A E >> - 0 0 72 -2,-0.2 3,-1.6 1,-0.1 4,-0.7 -0.378 32.2-122.8 -61.8 141.3 67.0 98.8 17.5 85 107 A P T 34 S+ 0 0 81 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.806 109.3 60.6 -61.1 -38.4 68.5 102.0 15.7 86 108 A E T 34 S+ 0 0 148 1,-0.2 -2,-0.1 0, 0.0 -3,-0.0 0.781 118.7 32.1 -59.5 -28.9 69.6 100.2 12.7 87 109 A K T <4 S+ 0 0 66 -3,-1.6 -18,-0.4 2,-0.0 -1,-0.2 0.427 93.1 124.9-107.7 -0.1 66.0 99.3 12.2 88 110 A R < + 0 0 77 -4,-0.7 -18,-0.2 -3,-0.4 2,-0.2 -0.171 28.0 169.8 -66.7 156.7 64.1 102.3 13.6 89 111 A G - 0 0 15 -20,-2.3 -21,-0.2 2,-0.2 -6,-0.1 -0.859 47.7 -85.4-149.4-179.5 61.5 104.5 11.8 90 112 A K S S+ 0 0 54 -2,-0.2 29,-2.4 -20,-0.1 2,-0.4 0.344 88.0 95.0 -81.9 10.4 59.0 107.2 12.7 91 113 A Y E -bD 69 118A 14 -23,-2.1 -21,-1.5 27,-0.2 -20,-0.9 -0.838 50.0-160.2-117.0 152.4 56.0 105.2 13.9 92 114 A V E -bD 71 117A 0 25,-3.2 25,-2.8 -2,-0.4 2,-0.5 -0.924 13.2-167.3-113.8 127.5 54.7 103.9 17.1 93 115 A V E -bD 72 116A 0 -22,-1.9 -20,-2.1 -2,-0.4 2,-0.4 -0.972 8.6-168.7-125.8 123.0 52.2 101.0 17.1 94 116 A C E +bD 73 115A 0 21,-2.6 21,-2.1 -2,-0.5 2,-0.4 -0.886 28.1 168.5 -95.1 137.1 50.1 99.9 20.1 95 117 A F E -bD 74 114A 2 -22,-2.9 -20,-0.8 -2,-0.4 19,-0.3 -0.995 42.4-149.6-152.2 154.5 48.6 96.6 19.3 96 118 A D E - D 0 113A 0 17,-2.9 17,-2.8 -2,-0.4 3,-0.3 -0.991 18.0-161.3-114.9 117.1 46.8 93.7 20.8 97 119 A P E S+ 0 0 0 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.903 78.7 15.8 -72.5 -38.7 47.9 90.7 18.7 98 120 A L E - 0 0 3 14,-0.1 3,-0.4 -3,-0.1 2,-0.3 -0.900 67.8-168.4-149.7 111.4 44.9 88.7 19.7 99 121 A D E S+ D 0 111A 15 12,-2.1 12,-1.0 -2,-0.4 126,-0.0 -0.725 76.2 13.1 -95.9 140.6 41.9 89.8 21.3 100 122 A G S > S+ 0 0 13 -2,-0.3 3,-2.5 10,-0.2 -1,-0.2 0.658 74.2 160.3 65.0 42.5 39.3 87.4 22.9 101 123 A S G > + 0 0 16 -3,-0.4 3,-2.4 1,-0.3 4,-0.4 0.771 64.9 64.5 -51.8 -39.4 41.8 84.5 22.7 102 124 A S G > S+ 0 0 93 1,-0.3 3,-0.6 2,-0.1 -1,-0.3 0.794 97.6 60.3 -51.7 -27.8 40.0 82.4 25.3 103 125 A N G X >S+ 0 0 26 -3,-2.5 5,-1.9 1,-0.2 3,-0.6 0.420 74.9 88.6 -88.5 2.9 37.1 82.3 22.8 104 126 A I G X 5S+ 0 0 25 -3,-2.4 3,-2.2 1,-0.2 -1,-0.2 0.932 83.4 63.7 -59.6 -38.5 39.1 80.6 20.0 105 127 A D G < 5S+ 0 0 118 -3,-0.6 -1,-0.2 -4,-0.4 -2,-0.2 0.782 102.4 44.7 -53.6 -37.6 38.0 77.4 21.6 106 128 A C G < 5S- 0 0 9 -3,-0.6 -1,-0.3 -4,-0.2 -2,-0.2 0.195 118.5-110.3 -96.3 12.2 34.3 78.0 21.0 107 129 A L T < 5 + 0 0 10 -3,-2.2 356,-0.6 1,-0.2 -3,-0.2 0.803 58.3 169.7 49.6 40.9 35.1 79.1 17.3 108 130 A V < - 0 0 12 -5,-1.9 -1,-0.2 354,-0.1 2,-0.1 -0.474 47.1-100.9 -76.1 141.2 34.3 82.7 18.1 109 131 A S - 0 0 1 -2,-0.2 119,-0.3 116,-0.1 37,-0.2 -0.530 55.5-178.9 -61.7 127.4 35.1 85.3 15.5 110 132 A I E - E 0 145A 0 35,-1.5 35,-3.2 -2,-0.1 2,-0.3 -0.723 6.2-167.8-123.8-178.8 38.4 86.8 17.0 111 133 A G E -DE 99 144A 0 -12,-1.0 -12,-2.1 33,-0.3 2,-0.4 -0.952 26.6-119.5-161.1 178.5 40.9 89.7 15.9 112 134 A T E - E 0 143A 3 31,-2.5 31,-2.5 -2,-0.3 2,-0.3 -0.959 32.4-164.6-121.3 139.3 44.1 91.6 16.0 113 135 A I E +DE 96 142A 0 -17,-2.8 -17,-2.9 -2,-0.4 2,-0.3 -0.967 15.3 159.0-126.7 150.6 43.8 95.3 16.9 114 136 A F E -DE 95 141A 4 27,-1.4 27,-0.9 -2,-0.3 2,-0.3 -0.984 21.7-157.9-159.7 170.0 46.4 98.0 16.5 115 137 A G E -DE 94 140A 1 -21,-2.1 -21,-2.6 -2,-0.3 2,-0.5 -0.965 13.5-143.4-162.1 136.8 46.9 101.8 16.2 116 138 A I E +DE 93 139A 0 23,-3.0 22,-2.1 -2,-0.3 23,-1.5 -0.928 17.9 178.4-115.3 115.3 49.7 103.7 14.8 117 139 A Y E -D 92 0A 2 -25,-2.8 -25,-3.2 -2,-0.5 2,-0.5 -0.679 27.0-121.0-106.3 170.1 51.0 107.0 16.2 118 140 A R E -D 91 0A 117 -2,-0.2 2,-1.0 -27,-0.2 -27,-0.2 -0.944 20.0-122.1-113.5 130.6 53.9 109.1 14.9 119 141 A K + 0 0 35 -29,-2.4 11,-0.1 -2,-0.5 10,-0.0 -0.630 37.8 170.0 -74.4 104.2 56.9 109.9 17.1 120 142 A N + 0 0 119 -2,-1.0 -1,-0.2 9,-0.1 2,-0.1 0.821 43.7 89.5 -82.3 -38.7 56.8 113.7 17.0 121 143 A S S S- 0 0 51 1,-0.1 8,-0.0 8,-0.0 -2,-0.0 -0.353 74.0-126.7 -70.1 154.7 59.5 114.5 19.7 122 144 A T S S+ 0 0 153 -2,-0.1 -1,-0.1 3,-0.0 2,-0.1 0.331 74.4 74.2 -71.3 -10.9 63.3 114.9 19.3 123 145 A D S S- 0 0 93 1,-0.2 3,-0.1 3,-0.0 -2,-0.0 -0.249 93.7 -44.1-105.4-171.2 64.7 112.4 21.9 124 146 A E S S- 0 0 133 1,-0.1 -1,-0.2 -2,-0.1 -3,-0.0 -0.343 70.7-107.9 -53.5 123.9 65.4 108.7 22.7 125 147 A P + 0 0 12 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.314 56.3 160.9 -56.1 148.1 62.1 106.9 21.8 126 148 A S > - 0 0 30 -3,-0.1 3,-2.1 -45,-0.1 4,-0.5 -0.970 56.1 -84.8-164.8 161.1 60.4 105.9 25.0 127 149 A E G > S+ 0 0 76 1,-0.3 3,-1.9 -2,-0.3 4,-0.2 0.792 119.1 69.5 -48.0 -33.8 56.9 104.8 26.4 128 150 A K G > S+ 0 0 158 1,-0.3 3,-2.2 2,-0.2 -1,-0.3 0.861 87.8 63.1 -55.4 -34.6 56.0 108.4 26.7 129 151 A D G < S+ 0 0 8 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.764 102.3 51.8 -58.5 -30.0 55.9 108.6 23.0 130 152 A A G < S+ 0 0 0 -3,-1.9 2,-0.9 -4,-0.5 -1,-0.3 0.303 88.5 85.8 -86.9 3.9 53.0 106.0 23.4 131 153 A L < + 0 0 41 -3,-2.2 -1,-0.2 -4,-0.2 -3,-0.1 -0.511 61.1 122.5-104.6 68.4 51.2 108.3 25.8 132 154 A Q S S- 0 0 23 -2,-0.9 151,-0.1 152,-0.1 5,-0.1 -0.977 70.1-101.5-125.4 141.1 49.4 110.4 23.2 133 155 A P > - 0 0 29 0, 0.0 3,-3.0 0, 0.0 4,-0.2 -0.387 31.8-115.5 -66.7 141.8 45.6 110.7 23.1 134 156 A G G > S+ 0 0 0 149,-0.5 3,-1.7 146,-0.3 147,-0.2 0.697 109.9 79.2 -46.2 -21.4 43.9 108.5 20.5 135 157 A R G 3 S+ 0 0 112 146,-2.1 -1,-0.3 1,-0.3 147,-0.1 0.838 88.7 56.4 -58.0 -28.4 42.9 111.8 18.8 136 158 A N G < S+ 0 0 88 -3,-3.0 -1,-0.3 145,-0.3 -18,-0.2 0.476 76.1 128.9 -83.8 -10.5 46.3 112.0 17.4 137 159 A L < - 0 0 10 -3,-1.7 -20,-0.2 -4,-0.2 3,-0.1 -0.152 42.0-164.1 -47.3 139.7 46.4 108.6 15.6 138 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75.1-140.5 -98.2 148.4 49.7 104.3 31.7 288 310 A I T 3 S+ 0 0 3 -2,-0.4 -31,-0.1 1,-0.3 -1,-0.1 0.590 107.4 47.0 -76.1 -15.2 50.3 102.6 28.5 289 311 A H T 3 S+ 0 0 54 -33,-0.1 -1,-0.3 -34,-0.1 2,-0.2 0.003 85.3 134.1-113.9 25.1 48.2 99.7 29.9 290 312 A Q < - 0 0 34 -3,-1.1 -35,-3.3 -36,-0.1 -34,-0.4 -0.540 44.0-137.4 -84.7 152.5 45.3 101.8 31.3 291 313 A R B -O 254 0D 114 -37,-0.3 -37,-0.3 -2,-0.2 -40,-0.1 -0.437 15.1-164.7-104.2 170.7 41.7 100.9 30.7 292 314 A A - 0 0 5 -39,-2.3 2,-0.3 -2,-0.2 -39,-0.3 -0.994 28.6-106.6-156.7 149.1 38.5 102.8 29.9 293 315 A P - 0 0 16 0, 0.0 2,-0.5 0, 0.0 -42,-0.1 -0.663 42.0-158.2 -69.0 135.0 34.8 102.6 29.8 294 316 A I E +K 242 0B 1 -52,-3.0 -52,-2.8 -2,-0.3 2,-0.5 -0.940 27.3 163.5-131.5 118.0 33.6 102.2 26.1 295 317 A I E +KL 241 274B 2 -21,-2.6 -21,-2.2 -2,-0.5 2,-0.3 -0.986 23.9 162.3-122.3 118.6 30.2 103.0 24.6 296 318 A L E +KL 240 273B 0 -56,-2.5 -56,-1.8 -2,-0.5 2,-0.3 -0.992 13.4 83.9-140.9 147.2 30.5 103.2 20.8 297 319 A G E S+KL 239 272B 0 -25,-2.1 -25,-2.2 -2,-0.3 -58,-0.2 -0.966 71.3 1.2 159.8-169.8 28.1 103.1 17.9 298 320 A S S >> S- 0 0 0 -60,-2.1 3,-1.3 -2,-0.3 4,-1.1 -0.298 73.0-120.3 -52.8 115.5 25.6 104.7 15.6 299 321 A P H 3> S+ 0 0 21 0, 0.0 4,-2.3 0, 0.0 3,-0.4 0.701 102.7 51.8 -41.4 -58.2 25.7 108.3 16.7 300 322 A E H 3> S+ 0 0 115 -118,-0.8 4,-2.1 1,-0.3 -117,-0.2 0.769 110.3 49.7 -53.0 -37.0 22.0 109.0 17.8 301 323 A D H <> S+ 0 0 0 -3,-1.3 4,-2.3 -119,-0.7 3,-0.3 0.976 111.6 46.9 -63.9 -53.0 21.9 105.9 20.0 302 324 A V H X S+ 0 0 0 -4,-1.1 4,-2.8 -3,-0.4 -2,-0.2 0.869 112.4 51.8 -61.3 -32.5 25.1 106.8 21.8 303 325 A T H X S+ 0 0 61 -4,-2.3 4,-2.3 2,-0.2 -1,-0.3 0.876 102.5 58.7 -70.0 -35.9 23.8 110.3 22.2 304 326 A E H >X S+ 0 0 20 -4,-2.1 4,-2.3 -3,-0.3 3,-0.6 0.984 111.1 43.1 -55.4 -51.0 20.6 109.0 23.6 305 327 A L H 3X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.935 109.2 55.5 -63.1 -45.0 22.8 107.4 26.3 306 328 A L H 3X S+ 0 0 36 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.833 108.8 48.9 -59.3 -28.9 25.0 110.4 26.8 307 329 A E H < S+ 0 0 38 -4,-2.3 3,-1.6 1,-0.2 -1,-0.2 0.999 116.9 29.1 -69.6 -60.3 24.2 110.0 31.5 310 332 A Q H >< S+ 0 0 148 -4,-1.9 3,-0.6 1,-0.3 -2,-0.2 0.441 109.6 69.1 -86.8 7.1 24.0 113.6 32.5 311 333 A K T 3< S+ 0 0 130 -4,-1.6 -1,-0.3 1,-0.2 -3,-0.2 0.305 104.1 47.6 -88.7 -5.0 20.2 113.5 32.9 312 334 A H T < 0 0 86 -3,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 -0.062 360.0 360.0-117.2 31.7 21.1 111.4 35.9 313 335 A A < 0 0 135 -3,-0.6 -2,-0.2 0, 0.0 -3,-0.1 0.541 360.0 360.0-136.1 360.0 23.7 114.0 36.9 314 !* 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 0.0 315 5 B A 0 0 147 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 145.9 54.5 67.6 10.4 316 6 B F - 0 0 206 1,-0.1 2,-0.4 2,-0.0 0, 0.0 0.680 360.0-156.9 69.7 110.0 53.0 65.4 7.7 317 7 B D - 0 0 106 1,-0.0 3,-0.2 0, 0.0 -1,-0.1 -0.970 11.1-157.4-121.3 112.3 51.1 62.7 9.6 318 8 B T S S+ 0 0 137 -2,-0.4 2,-0.3 1,-0.2 -1,-0.0 0.466 85.6 58.2 -71.7 -3.1 50.5 59.3 7.8 319 9 B N + 0 0 93 2,-0.0 2,-0.6 0, 0.0 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114.2 39.2 -73.3 7.7 34.9 52.4 11.8 330 20 B Q H <4 S+ 0 0 31 -3,-1.8 4,-0.4 3,-0.0 -2,-0.2 0.632 119.0 43.3-118.2 -42.0 31.1 52.9 12.9 331 21 B G H ><>S+ 0 0 16 -4,-3.0 3,-0.8 2,-0.1 5,-0.5 0.982 116.3 44.4 -67.7 -56.2 29.2 51.6 9.7 332 22 B R G ><5S+ 0 0 210 -4,-1.7 3,-2.1 1,-0.2 -3,-0.2 0.880 108.1 52.8 -61.9 -48.0 31.3 48.4 9.0 333 23 B K G 3 5S+ 0 0 151 -5,-0.5 -1,-0.2 1,-0.3 -2,-0.1 0.644 113.9 46.5 -66.9 -13.1 31.7 46.8 12.5 334 24 B A G < 5S- 0 0 72 -3,-0.8 2,-1.9 -4,-0.4 -1,-0.3 -0.039 110.6-130.5-112.5 27.1 27.9 47.1 12.9 335 25 B R T < 5 + 0 0 215 -3,-2.1 -3,-0.2 1,-0.1 -4,-0.1 0.138 59.4 138.0 50.1 -17.2 27.5 45.6 9.3 336 26 B G S S+ 0 0 7 -2,-0.7 4,-1.1 -7,-0.2 5,-0.2 0.784 71.5 142.9 70.5 26.8 28.0 52.2 5.3 339 29 B E H > + 0 0 40 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.901 68.3 65.6 -62.3 -35.1 25.3 53.8 3.1 340 30 B M H >> S+ 0 0 21 2,-0.2 4,-2.7 1,-0.2 3,-0.8 0.955 97.2 54.1 -41.3 -66.1 25.7 56.4 5.8 341 31 B T H 3> S+ 0 0 16 1,-0.2 4,-3.1 2,-0.2 5,-0.4 0.872 105.9 45.2 -45.6 -65.7 29.2 57.0 4.6 342 32 B Q H 3X S+ 0 0 93 -4,-1.1 4,-1.1 1,-0.2 -1,-0.2 0.802 116.1 52.8 -58.4 -19.4 28.8 57.9 0.8 343 33 B L H XX S+ 0 0 0 -4,-1.8 4,-1.8 -3,-0.8 3,-1.0 0.995 113.8 38.9 -70.5 -63.7 25.9 60.0 2.0 344 34 B L H 3X S+ 0 0 6 -4,-2.7 4,-2.4 1,-0.3 -2,-0.2 0.859 109.9 60.4 -57.0 -40.7 28.1 61.9 4.5 345 35 B N H 3X S+ 0 0 69 -4,-3.1 4,-1.8 1,-0.3 -1,-0.3 0.905 107.2 47.6 -49.5 -43.6 31.1 62.0 2.2 346 36 B S H < S+ 0 0 3 -4,-1.7 3,-0.7 -3,-0.5 4,-0.3 0.860 106.4 54.2 -77.1 -29.8 31.7 82.1 2.2 359 49 B R H 3< S+ 0 0 10 -4,-2.6 3,-0.3 -3,-0.5 -2,-0.2 0.881 120.3 31.4 -75.0 -34.8 35.3 82.9 2.8 360 50 B K T >< S+ 0 0 70 -4,-1.8 3,-2.6 -5,-0.2 4,-0.3 0.230 90.3 119.1 -97.7 18.2 35.5 84.9 -0.5 361 51 B A G X S+ 0 0 29 -3,-0.7 3,-1.1 1,-0.3 -1,-0.2 0.862 71.1 49.9 -53.5 -39.4 31.8 85.8 -0.1 362 52 B G G 3 S+ 0 0 41 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.264 108.7 53.0 -84.7 11.2 32.5 89.5 -0.1 363 53 B I G < 0 0 52 -3,-2.6 -1,-0.2 0, 0.0 -2,-0.2 0.215 360.0 360.0-126.1 8.1 34.7 89.4 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324 B V H X S+ 0 0 1 -4,-1.6 4,-2.9 1,-0.2 3,-0.3 0.953 120.2 39.9 -51.5 -47.5 17.9 72.8 31.5 619 325 B T H X S+ 0 0 63 -4,-3.0 4,-2.1 2,-0.3 5,-0.4 0.919 104.2 63.3 -70.3 -46.7 16.4 71.4 34.7 620 326 B E H < S+ 0 0 35 -4,-1.8 4,-0.3 -5,-0.3 -1,-0.2 0.786 117.9 34.7 -50.6 -29.4 16.9 74.4 37.0 621 327 B L H >X S+ 0 0 4 -4,-1.7 4,-2.0 -3,-0.3 3,-1.1 0.889 110.0 64.1 -85.9 -50.9 14.6 76.0 34.6 622 328 B L H 3X S+ 0 0 39 -4,-2.9 4,-2.2 1,-0.3 5,-0.2 0.824 101.2 50.7 -41.9 -47.2 12.3 72.9 33.8 623 329 B E H 3X S+ 0 0 102 -4,-2.1 4,-0.9 1,-0.2 -1,-0.3 0.896 109.6 50.0 -64.6 -37.1 11.0 72.6 37.3 624 330 B I H <4 S+ 0 0 0 -3,-1.1 3,-0.2 -5,-0.4 -1,-0.2 0.862 107.7 54.3 -70.4 -31.3 10.1 76.3 37.3 625 331 B Y H >< S+ 0 0 50 -4,-2.0 3,-0.8 1,-0.2 4,-0.3 0.892 111.3 45.7 -66.9 -31.8 8.3 75.7 34.0 626 332 B Q H 3< S+ 0 0 153 -4,-2.2 3,-0.3 -5,-0.3 -2,-0.2 0.661 106.6 61.1 -76.6 -16.6 6.4 73.0 35.9 627 333 B K T 3< S+ 0 0 119 -4,-0.9 -1,-0.2 -3,-0.2 -2,-0.2 0.111 104.9 47.5 -95.0 18.7 5.9 75.5 38.8 628 334 B H < 0 0 94 -3,-0.8 -1,-0.2 -5,-0.1 -2,-0.1 0.454 360.0 360.0-140.3 -4.4 3.8 77.9 36.6 629 335 B A 0 0 153 -3,-0.3 -2,-0.1 -4,-0.3 -3,-0.1 0.288 360.0 360.0 -95.4 360.0 1.3 76.0 34.7