==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-JUL-09 3IFA . COMPND 2 MOLECULE: FRUCTOSE-1,6-BISPHOSPHATASE ISOZYME 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.KOLODZIEJCZYK,M.ZARZYCKI,M.JASKOLSKI,A.DZUGAJ . 1290 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 54817.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 865 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 234 18.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 5 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 . 34 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 131 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 337 26.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 40 3.1 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 4 0 0 0 0 0 4 12 1 2 0 1 1 2 0 1 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 8 0 0 0 4 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 . 16 4 4 8 2 6 5 3 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 4 0 0 4 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 8 A T 0 0 95 0, 0.0 3,-0.1 0, 0.0 8,-0.0 0.000 360.0 360.0 360.0-136.9 -9.7 -64.1 11.2 2 9 A D + 0 0 71 401,-0.2 3,-0.1 1,-0.1 401,-0.1 0.281 360.0 102.0-101.6 -2.4 -8.0 -60.7 11.6 3 10 A M + 0 0 4 1,-0.2 2,-2.9 5,-0.1 5,-0.2 0.793 54.3 178.6 -60.1 -32.7 -10.1 -60.4 14.7 4 11 A L + 0 0 78 4,-0.1 183,-3.1 -3,-0.1 2,-0.2 -0.321 52.7 70.6 70.8 -61.8 -7.1 -61.2 17.0 5 12 A T B > S-A 186 0A 0 -2,-2.9 4,-2.7 181,-0.2 181,-0.2 -0.588 80.3-128.5 -93.8 150.9 -9.0 -60.9 20.3 6 13 A L H > S+ 0 0 6 179,-2.2 4,-3.2 -2,-0.2 5,-0.3 0.900 109.4 57.4 -58.5 -43.5 -11.6 -63.1 21.8 7 14 A T H > S+ 0 0 13 178,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.940 112.8 38.2 -53.2 -50.7 -13.9 -60.1 22.3 8 15 A R H > S+ 0 0 0 -5,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.900 116.7 53.5 -68.6 -38.8 -13.9 -59.1 18.6 9 16 A Y H X S+ 0 0 8 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.935 111.1 44.0 -64.2 -48.5 -14.0 -62.8 17.5 10 17 A V H X S+ 0 0 11 -4,-3.2 4,-2.1 2,-0.2 -1,-0.2 0.921 113.8 51.2 -63.4 -43.4 -17.0 -63.6 19.6 11 18 A M H X S+ 0 0 13 -4,-2.0 4,-2.2 -5,-0.3 -2,-0.2 0.945 112.6 46.7 -57.1 -46.9 -18.8 -60.4 18.5 12 19 A E H X S+ 0 0 42 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.887 109.0 52.6 -69.1 -38.1 -18.1 -61.2 14.9 13 20 A K H X S+ 0 0 48 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.892 110.0 51.3 -61.1 -37.1 -19.3 -64.8 15.2 14 21 A G H <>S+ 0 0 15 -4,-2.1 5,-2.3 2,-0.2 4,-0.4 0.874 108.4 50.5 -70.8 -35.1 -22.5 -63.4 16.7 15 22 A R H ><5S+ 0 0 68 -4,-2.2 3,-1.0 1,-0.2 -2,-0.2 0.918 111.0 48.5 -65.4 -44.4 -22.9 -61.0 13.7 16 23 A Q H 3<5S+ 0 0 111 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.848 111.0 51.2 -61.2 -37.0 -22.4 -63.9 11.3 17 24 A A T 3<5S- 0 0 77 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.557 109.5-126.3 -73.4 -9.3 -25.0 -65.9 13.2 18 25 A K T < 5 + 0 0 180 -3,-1.0 -3,-0.2 -4,-0.4 -2,-0.1 0.804 48.9 171.4 59.2 34.1 -27.4 -63.0 13.1 19 26 A G < - 0 0 51 -5,-2.3 -1,-0.1 -6,-0.2 -5,-0.0 -0.227 45.6-127.9 -66.7 160.0 -27.8 -63.2 16.8 20 27 A T - 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 0.546 55.1-103.5 -83.0 -8.0 -29.7 -60.5 18.8 21 28 A G S > S+ 0 0 6 -7,-0.1 4,-2.4 -10,-0.0 5,-0.2 0.339 94.7 113.3 100.9 -3.9 -26.5 -60.2 21.0 22 29 A E H > S+ 0 0 24 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.934 82.8 39.6 -69.1 -44.9 -28.0 -62.2 24.0 23 30 A L H > S+ 0 0 40 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.884 112.7 56.5 -70.2 -40.2 -25.5 -65.1 23.6 24 31 A T H > S+ 0 0 10 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.933 109.1 47.5 -56.7 -44.6 -22.6 -62.7 22.8 25 32 A Q H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.879 111.0 51.0 -62.8 -38.9 -23.3 -60.9 26.1 26 33 A L H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.919 111.7 46.7 -63.4 -45.5 -23.5 -64.2 28.0 27 34 A L H X S+ 0 0 7 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.898 110.9 51.9 -64.2 -41.8 -20.1 -65.3 26.5 28 35 A N H X S+ 0 0 13 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.875 111.0 50.5 -57.3 -44.3 -18.5 -61.8 27.3 29 36 A S H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.915 110.4 46.5 -61.1 -51.4 -19.8 -62.3 30.9 30 37 A M H X S+ 0 0 2 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.880 113.2 50.1 -54.5 -47.5 -18.3 -65.8 31.3 31 38 A L H X S+ 0 0 10 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.877 108.9 51.7 -67.2 -36.4 -15.0 -64.7 29.8 32 39 A T H X S+ 0 0 6 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.911 109.5 49.9 -61.7 -43.9 -14.8 -61.7 32.2 33 40 A A H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.921 108.9 53.7 -61.0 -41.1 -15.4 -64.0 35.2 34 41 A I H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.898 107.4 49.7 -60.4 -42.3 -12.6 -66.3 33.8 35 42 A K H X S+ 0 0 8 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.896 111.6 48.8 -60.5 -41.8 -10.2 -63.3 33.7 36 43 A A H X S+ 0 0 22 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.900 112.0 48.9 -66.8 -41.5 -11.2 -62.5 37.3 37 44 A I H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.911 107.7 55.0 -61.4 -46.0 -10.7 -66.1 38.4 38 45 A S H X S+ 0 0 6 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.935 107.5 50.2 -55.1 -46.0 -7.3 -66.3 36.6 39 46 A S H <>S+ 0 0 28 -4,-1.9 5,-2.3 1,-0.2 -1,-0.2 0.896 114.1 44.2 -58.9 -43.8 -6.1 -63.2 38.6 40 47 A A H ><5S+ 0 0 23 -4,-1.7 3,-1.2 3,-0.2 -1,-0.2 0.878 111.6 52.3 -69.3 -39.3 -7.2 -64.8 41.9 41 48 A V H 3<5S+ 0 0 19 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.906 106.8 53.1 -66.0 -41.6 -5.8 -68.2 41.1 42 49 A R T 3<5S- 0 0 113 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.493 120.5-115.0 -71.3 -3.5 -2.4 -66.6 40.3 43 50 A K T X 5 + 0 0 68 -3,-1.2 3,-1.9 1,-0.2 4,-0.2 0.745 44.5 177.6 76.1 34.2 -2.6 -64.9 43.8 44 51 A A T 3 > S+ 0 0 46 -2,-0.1 3,-1.3 3,-0.0 4,-1.1 0.381 80.9 129.9 82.6 0.1 -3.3 -59.5 46.5 46 53 A L H <> + 0 0 62 -3,-1.9 4,-1.6 1,-0.2 3,-0.3 0.839 65.5 63.7 -49.6 -38.9 -1.8 -62.4 48.5 47 54 A A H 34>S+ 0 0 52 -4,-0.2 5,-2.0 1,-0.2 -1,-0.2 0.837 98.4 55.6 -60.0 -30.1 0.6 -59.9 50.3 48 55 A H H X45S+ 0 0 116 -3,-1.3 3,-1.0 1,-0.2 5,-0.3 0.883 104.5 52.3 -72.0 -35.4 -2.5 -58.2 51.8 49 56 A L H 3<5S+ 0 0 72 -4,-1.1 8,-2.3 -3,-0.3 -1,-0.2 0.845 107.6 54.1 -63.1 -35.0 -3.7 -61.6 53.3 50 57 A Y B 3<5S-I 56 0B 133 -4,-1.6 -1,-0.2 6,-0.2 6,-0.2 0.292 126.7 -94.7 -90.7 11.4 -0.2 -62.0 54.8 51 58 A G T X 5S+ 0 0 22 -3,-1.0 3,-1.4 4,-0.9 -3,-0.2 0.716 70.8 146.0 95.6 26.5 -0.3 -58.7 56.7 52 59 A I T 3 0 0 125 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 103.9 -9.8 -72.3 54.6 61 69 A Q H > + 0 0 61 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.829 360.0 52.2 -61.5 -39.3 -8.0 -70.6 51.6 62 70 A V H > S+ 0 0 40 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.922 109.6 48.8 -62.6 -45.9 -9.2 -73.3 49.2 63 71 A K H > S+ 0 0 125 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.916 110.3 52.1 -64.0 -44.9 -12.8 -72.9 50.3 64 72 A K H X S+ 0 0 127 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.873 108.5 49.1 -54.0 -47.3 -12.6 -69.1 49.9 65 73 A L H X S+ 0 0 14 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.856 111.5 51.0 -66.8 -37.4 -11.3 -69.3 46.3 66 74 A D H X S+ 0 0 17 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.881 112.3 45.8 -59.1 -47.4 -14.1 -71.7 45.5 67 75 A V H X S+ 0 0 82 -4,-2.3 4,-3.1 2,-0.2 -2,-0.2 0.930 115.3 46.9 -62.8 -46.5 -16.7 -69.4 46.9 68 76 A L H X S+ 0 0 82 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.937 113.3 47.5 -62.2 -48.2 -15.1 -66.4 45.2 69 77 A S H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 5,-0.2 0.944 114.7 47.4 -60.2 -45.3 -14.9 -68.2 41.8 70 78 A N H X S+ 0 0 13 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.928 112.5 49.3 -58.9 -47.0 -18.5 -69.4 42.2 71 79 A S H X S+ 0 0 48 -4,-3.1 4,-2.2 1,-0.2 5,-0.3 0.876 108.7 53.3 -61.8 -40.1 -19.6 -65.9 43.1 72 80 A L H X S+ 0 0 41 -4,-2.8 4,-2.2 -5,-0.2 5,-0.2 0.927 112.4 43.7 -56.7 -48.4 -17.8 -64.4 40.1 73 81 A V H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.954 115.3 47.6 -69.7 -47.5 -19.5 -66.7 37.6 74 82 A I H X S+ 0 0 23 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.944 115.2 43.7 -59.5 -48.8 -23.0 -66.4 39.1 75 83 A N H X S+ 0 0 100 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.916 115.2 48.5 -67.0 -39.1 -23.0 -62.6 39.4 76 84 A M H X S+ 0 0 19 -4,-2.2 4,-0.6 -5,-0.3 -1,-0.2 0.919 115.7 44.1 -66.0 -44.4 -21.5 -62.1 36.0 77 85 A L H ><>S+ 0 0 1 -4,-2.7 3,-1.1 -5,-0.2 5,-0.6 0.958 115.1 46.4 -68.5 -46.5 -23.9 -64.5 34.3 78 86 A Q H ><5S+ 0 0 39 -4,-2.9 3,-1.4 -5,-0.3 5,-0.3 0.906 110.6 53.5 -60.9 -43.4 -27.0 -63.3 36.1 79 87 A S H 3<5S+ 0 0 13 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.586 92.4 75.9 -72.2 -9.6 -26.1 -59.6 35.4 80 88 A S T <<5S- 0 0 0 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.715 94.7-136.5 -67.3 -23.0 -25.8 -60.4 31.6 81 89 A Y T < 5S+ 0 0 78 -3,-1.4 23,-0.1 -4,-0.4 -3,-0.1 0.554 82.1 99.4 71.6 13.7 -29.6 -60.5 31.3 82 90 A S < + 0 0 0 -5,-0.6 23,-2.3 21,-0.2 2,-0.3 0.413 63.9 77.0-105.6 -1.6 -29.1 -63.6 29.2 83 91 A T E +b 105 0A 0 18,-0.6 20,-2.0 -6,-0.3 23,-0.2 -0.806 34.5 172.0-119.2 155.7 -29.9 -66.4 31.7 84 92 A C E S+ 0 0 1 21,-2.4 13,-2.5 1,-0.4 2,-0.4 0.592 77.7 21.5-123.3 -31.5 -32.8 -68.2 33.3 85 93 A V E -bC 106 96A 0 20,-0.9 22,-2.1 11,-0.2 2,-0.4 -1.000 59.5-170.2-141.8 137.5 -31.3 -71.1 35.1 86 94 A L E -bC 107 95A 0 9,-2.4 9,-3.1 -2,-0.4 2,-0.5 -0.979 6.1-162.2-126.2 140.5 -27.8 -71.9 36.3 87 95 A V E -b 108 0A 0 20,-2.6 22,-2.8 -2,-0.4 2,-0.4 -0.989 15.2-172.1-116.9 125.8 -26.4 -75.2 37.6 88 96 A S E > -b 109 0A 0 -2,-0.5 3,-1.3 5,-0.3 22,-0.2 -0.936 33.2-134.2-117.5 142.7 -23.1 -74.9 39.6 89 97 A E T 3 S+ 0 0 62 20,-2.0 21,-0.1 -2,-0.4 -1,-0.1 0.765 109.8 54.7 -50.7 -32.7 -20.9 -77.7 40.9 90 98 A E T 3 S+ 0 0 68 -24,-0.1 2,-0.4 1,-0.0 -1,-0.2 0.533 99.4 70.0 -86.2 -9.4 -20.8 -75.7 44.2 91 99 A N < - 0 0 51 -3,-1.3 -3,-0.3 1,-0.1 4,-0.1 -0.952 65.4-148.8-120.1 132.8 -24.6 -75.5 44.8 92 100 A K S S+ 0 0 165 -2,-0.4 2,-0.3 -5,-0.1 -1,-0.1 0.875 83.9 42.2 -60.2 -44.9 -27.0 -78.2 45.7 93 101 A D S S- 0 0 97 1,-0.1 -5,-0.3 209,-0.0 -2,-0.0 -0.735 94.6 -95.8-107.6 154.9 -29.9 -76.8 43.8 94 102 A A - 0 0 18 -2,-0.3 2,-0.6 -7,-0.1 -7,-0.2 -0.304 40.1-127.9 -59.3 144.5 -30.3 -75.1 40.4 95 103 A I E -C 86 0A 35 -9,-3.1 -9,-2.4 45,-0.1 2,-0.5 -0.931 18.3-149.9-107.8 116.2 -30.2 -71.3 40.7 96 104 A I E -C 85 0A 68 -2,-0.6 -11,-0.2 -11,-0.2 2,-0.1 -0.758 18.4-121.7 -92.9 125.9 -33.2 -69.6 39.1 97 105 A T - 0 0 1 -13,-2.5 5,-0.1 -2,-0.5 -1,-0.0 -0.393 34.6 -97.9 -67.5 137.9 -32.5 -66.1 37.7 98 106 A A > - 0 0 58 1,-0.1 3,-1.6 -2,-0.1 4,-0.3 -0.223 33.7-117.3 -53.8 142.0 -34.6 -63.2 39.1 99 107 A K G > S+ 0 0 143 1,-0.3 3,-1.4 2,-0.2 -1,-0.1 0.881 112.7 60.5 -53.9 -41.4 -37.5 -62.5 36.7 100 108 A E G 3 S+ 0 0 148 1,-0.2 -1,-0.3 0, 0.0 -2,-0.1 0.761 113.8 36.0 -57.1 -25.4 -36.2 -58.9 36.1 101 109 A K G < S+ 0 0 49 -3,-1.6 -18,-0.6 -17,-0.1 -1,-0.2 0.227 87.6 135.6-115.0 15.5 -32.9 -60.3 34.6 102 110 A R E < +b 83 0A 71 -3,-1.4 -18,-0.3 -4,-0.3 2,-0.2 -0.422 21.1 161.3 -76.5 130.5 -34.3 -63.4 32.9 103 111 A G E - 0 0 19 -20,-2.0 -21,-0.2 2,-0.2 -20,-0.2 -0.542 49.2 -84.3-122.7-151.9 -33.1 -64.4 29.4 104 112 A K E S+ 0 0 74 -2,-0.2 29,-3.3 -23,-0.1 2,-0.2 0.605 85.8 90.1 -95.9 -21.8 -33.2 -67.5 27.3 105 113 A Y E -bD 83 132A 18 -23,-2.3 -21,-2.4 27,-0.2 -20,-0.9 -0.547 51.6-154.8-102.2 149.0 -30.1 -69.5 28.2 106 114 A V E -bD 85 131A 0 25,-3.6 25,-2.9 -2,-0.2 2,-0.5 -0.957 15.7-161.3-113.0 132.7 -29.2 -72.1 30.8 107 115 A V E -bD 86 130A 2 -22,-2.1 -20,-2.6 -2,-0.4 2,-0.5 -0.970 9.8-169.1-125.9 127.9 -25.6 -72.5 32.0 108 116 A C E +bD 87 129A 1 21,-2.9 21,-2.3 -2,-0.5 2,-0.3 -0.951 26.6 164.5-107.8 124.4 -24.0 -75.5 33.7 109 117 A F E -bD 88 128A 0 -22,-2.8 -20,-2.0 -2,-0.5 19,-0.2 -0.983 44.2-149.3-148.2 155.0 -20.6 -74.8 35.1 110 118 A D E > - D 0 127A 7 17,-2.4 17,-2.1 161,-0.3 3,-0.5 -0.977 24.0-162.2-117.2 103.8 -17.8 -75.9 37.4 111 119 A P E 3 S+ 0 0 0 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.827 79.5 10.4 -67.2 -30.6 -16.3 -72.5 38.5 112 120 A L E > S- 0 0 1 14,-0.1 3,-1.4 -3,-0.1 2,-0.3 -0.537 75.4-169.3-153.1 82.9 -13.0 -73.9 39.8 113 121 A D E < S+ D 0 125A 11 12,-2.3 12,-2.1 -3,-0.5 128,-0.1 -0.535 76.4 22.9 -80.5 126.9 -12.3 -77.5 38.9 114 122 A G T > S+ 0 0 13 -2,-0.3 3,-2.7 10,-0.2 4,-0.3 0.402 75.5 136.6 97.1 1.8 -9.4 -79.1 40.6 115 123 A S G X + 0 0 13 -3,-1.4 3,-1.2 1,-0.3 4,-0.3 0.722 63.8 68.8 -57.3 -22.6 -9.5 -76.6 43.5 116 124 A S G 3 S+ 0 0 99 1,-0.2 3,-0.4 2,-0.1 -1,-0.3 0.828 100.6 49.8 -59.1 -28.5 -8.9 -79.5 46.0 117 125 A N G X >S+ 0 0 47 -3,-2.7 3,-2.5 1,-0.2 5,-1.0 0.445 78.7 105.8 -88.5 -1.8 -5.4 -79.7 44.4 118 126 A I G X 5 + 0 0 15 -3,-1.2 3,-2.6 1,-0.3 -1,-0.2 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324 A V H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.923 111.3 52.5 -64.2 -40.7 -11.3 -94.5 22.1 317 325 A Q H X S+ 0 0 13 -4,-2.7 4,-2.4 -5,-0.3 -1,-0.2 0.907 106.3 52.1 -57.9 -40.6 -12.3 -97.2 19.5 318 326 A E H X S+ 0 0 28 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.927 111.5 47.8 -62.8 -40.4 -9.7 -99.6 20.9 319 327 A Y H X S+ 0 0 4 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.924 109.8 51.3 -63.6 -48.3 -11.1 -99.0 24.4 320 328 A L H X S+ 0 0 22 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.858 105.4 58.2 -59.2 -35.3 -14.7 -99.6 23.2 321 329 A T H X S+ 0 0 5 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.928 105.6 48.1 -58.4 -47.4 -13.6 -102.8 21.6 322 330 A C H X S+ 0 0 0 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.907 111.7 52.2 -58.9 -41.2 -12.3 -104.1 25.0 323 331 A V H X S+ 0 0 10 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.965 111.9 43.3 -58.9 -53.1 -15.7 -103.0 26.5 324 332 A Q H X S+ 0 0 26 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.878 114.0 51.1 -62.7 -40.9 -17.8 -104.9 23.9 325 333 A K H < S+ 0 0 23 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.905 112.9 43.9 -62.1 -46.2 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1000 31 D T H > S+ 0 0 10 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.936 108.5 46.8 -56.2 -46.0 -56.3 -99.2 19.0 1001 32 D Q H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.880 112.6 50.8 -63.0 -36.1 -54.6 -102.3 20.4 1002 33 D L H X S+ 0 0 1 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.945 111.9 45.7 -66.2 -48.2 -57.9 -104.0 20.9 1003 34 D L H X S+ 0 0 6 -4,-3.3 4,-2.2 2,-0.2 -2,-0.2 0.914 111.8 51.7 -60.4 -47.7 -59.0 -103.3 17.4 1004 35 D N H X S+ 0 0 11 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.885 110.8 50.6 -49.8 -44.8 -55.5 -104.5 16.1 1005 36 D S H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.914 110.7 46.6 -62.8 -47.1 -55.9 -107.7 18.1 1006 37 D M H X S+ 0 0 1 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.862 111.2 51.9 -65.1 -40.1 -59.4 -108.4 16.8 1007 38 D L H X S+ 0 0 15 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.809 108.4 51.4 -69.2 -29.9 -58.4 -107.8 13.2 1008 39 D T H X S+ 0 0 6 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.886 108.4 51.1 -70.6 -42.0 -55.4 -110.2 13.6 1009 40 D A H X S+ 0 0 1 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.933 109.5 52.7 -55.9 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