==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 01-FEB-11 3QKI . COMPND 2 MOLECULE: GLUCOSE-6-PHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR T.GILEADI,A.K.WERNIMONT,A.HUTCHINSON,J.WEDGE,D.COSSAR,J.LEW, . 1724 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 65988.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1273 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 108 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 69 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.3 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 . 0 0.0 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 . 116 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 211 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 680 39.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 36 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 5 0 1 7 2 0 6 9 0 9 3 0 3 3 4 2 6 2 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 3 6 6 3 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 . 12 3 0 3 3 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 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 3 3 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 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 3 A M 0 0 123 0, 0.0 2,-0.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 140.1 -7.5 42.8 -21.7 2 4 A E > - 0 0 61 1,-0.1 3,-1.4 383,-0.0 4,-0.3 -0.300 360.0-111.7 -78.5 162.1 -7.1 40.7 -18.5 3 5 A I G > S+ 0 0 6 1,-0.2 3,-1.7 2,-0.2 6,-0.3 0.814 113.9 68.7 -61.6 -32.8 -9.8 39.1 -16.3 4 6 A T G 3 S+ 0 0 40 1,-0.3 -1,-0.2 5,-0.1 -2,-0.0 0.645 94.8 57.2 -62.5 -17.6 -8.9 41.6 -13.5 5 7 A N G < S+ 0 0 90 -3,-1.4 -1,-0.3 4,-0.1 -2,-0.2 0.548 80.6 114.7 -90.8 -11.7 -10.3 44.4 -15.7 6 8 A L S <> S- 0 0 41 -3,-1.7 4,-2.3 -4,-0.3 3,-0.2 -0.285 72.9-126.6 -64.0 142.3 -13.8 42.9 -16.1 7 9 A K H > S+ 0 0 136 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.916 110.4 48.4 -54.2 -51.5 -16.7 44.8 -14.5 8 10 A S H > S+ 0 0 1 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.766 110.2 52.4 -63.8 -28.6 -17.9 41.8 -12.4 9 11 A Y H > S+ 0 0 24 -6,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.918 109.2 48.6 -71.3 -46.9 -14.3 41.1 -11.2 10 12 A K H X S+ 0 0 114 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.890 112.4 50.2 -60.0 -35.3 -13.9 44.7 -10.0 11 13 A E H X S+ 0 0 52 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.895 107.1 53.3 -70.2 -40.5 -17.3 44.3 -8.2 12 14 A L H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 5,-0.2 0.853 101.8 60.6 -63.0 -34.3 -16.2 41.0 -6.6 13 15 A V H X S+ 0 0 71 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.931 112.5 37.8 -57.4 -46.5 -13.1 42.9 -5.2 14 16 A T H X S+ 0 0 101 -4,-1.2 4,-1.3 2,-0.2 -2,-0.2 0.900 116.0 51.4 -75.8 -38.6 -15.4 45.3 -3.3 15 17 A L H X S+ 0 0 50 -4,-2.6 4,-2.3 1,-0.2 3,-0.2 0.898 108.8 51.4 -63.1 -43.1 -18.0 42.6 -2.3 16 18 A S H X S+ 0 0 5 -4,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.839 103.6 59.2 -62.5 -35.2 -15.3 40.3 -0.9 17 19 A A H < S+ 0 0 58 -4,-1.2 4,-0.3 -5,-0.2 -1,-0.2 0.880 111.0 41.3 -62.2 -37.7 -14.0 43.3 1.2 18 20 A E H >< S+ 0 0 140 -4,-1.3 3,-1.6 -3,-0.2 -2,-0.2 0.882 109.7 58.6 -74.4 -37.6 -17.5 43.5 2.9 19 21 A E H >< S+ 0 0 8 -4,-2.3 3,-1.8 1,-0.3 -2,-0.2 0.837 95.8 64.8 -58.7 -32.0 -17.7 39.6 3.1 20 22 A K T 3< S+ 0 0 102 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.695 98.5 53.7 -64.2 -21.0 -14.5 39.7 5.2 21 23 A T T < S+ 0 0 109 -3,-1.6 2,-0.3 -4,-0.3 -1,-0.3 0.352 97.1 86.8 -94.0 0.7 -16.4 41.6 7.9 22 24 A K S < S- 0 0 90 -3,-1.8 2,-0.4 -4,-0.2 3,-0.0 -0.828 71.9-132.4-109.3 142.8 -19.2 38.9 8.1 23 25 A D >> - 0 0 58 -2,-0.3 4,-1.7 1,-0.1 3,-0.8 -0.807 6.9-143.8 -98.7 135.8 -19.2 35.7 10.2 24 26 A L H 3> S+ 0 0 2 -2,-0.4 4,-2.7 436,-0.4 437,-0.2 0.855 101.9 64.7 -58.6 -37.4 -20.1 32.2 8.8 25 27 A K H 34 S+ 0 0 68 435,-0.5 -1,-0.2 2,-0.2 4,-0.2 0.851 104.8 45.2 -54.8 -36.6 -21.8 31.5 12.2 26 28 A D H X4 S+ 0 0 101 -3,-0.8 3,-1.7 1,-0.2 4,-0.3 0.947 111.9 50.7 -73.5 -43.8 -24.4 34.3 11.4 27 29 A Y H >< S+ 0 0 23 -4,-1.7 3,-1.9 1,-0.3 7,-0.2 0.862 103.0 61.6 -58.6 -40.1 -24.9 33.1 7.8 28 30 A L T 3< S+ 0 0 38 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.512 94.6 62.4 -68.4 -5.1 -25.5 29.5 9.1 29 31 A N T < S+ 0 0 136 -3,-1.7 2,-0.9 -4,-0.2 -1,-0.3 0.508 83.2 91.3 -92.8 -7.5 -28.6 30.7 11.1 30 32 A D <> - 0 0 69 -3,-1.9 4,-2.0 -4,-0.3 5,-0.1 -0.782 56.3-172.4 -94.2 102.7 -30.2 31.7 7.8 31 33 A K H > S+ 0 0 155 -2,-0.9 4,-2.6 1,-0.2 -1,-0.2 0.833 84.9 56.6 -62.4 -35.1 -32.3 28.7 6.6 32 34 A N H > S+ 0 0 90 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.918 107.8 46.5 -63.7 -44.5 -33.1 30.4 3.3 33 35 A R H > S+ 0 0 1 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.928 112.4 51.2 -62.4 -44.5 -29.4 30.8 2.5 34 36 A S H X S+ 0 0 24 -4,-2.0 4,-0.7 1,-0.2 -2,-0.2 0.911 109.6 49.8 -59.7 -44.2 -28.7 27.2 3.5 35 37 A E H < S+ 0 0 120 -4,-2.6 3,-0.3 1,-0.2 -1,-0.2 0.836 113.3 46.9 -64.1 -34.0 -31.5 26.0 1.2 36 38 A S H < S+ 0 0 39 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.793 114.5 46.1 -74.9 -33.8 -30.0 28.1 -1.7 37 39 A L H < S+ 0 0 4 -4,-2.1 11,-3.0 -5,-0.1 2,-0.6 0.367 96.2 80.9 -95.6 2.6 -26.4 26.9 -1.1 38 40 A I E < -A 47 0A 54 -4,-0.7 2,-0.3 -3,-0.3 9,-0.2 -0.960 65.0-172.0-110.3 115.6 -27.2 23.2 -0.8 39 41 A K E -A 46 0A 28 7,-2.9 7,-2.9 -2,-0.6 2,-0.4 -0.842 10.8-150.7-111.4 148.7 -27.6 21.5 -4.2 40 42 A K E +A 45 0A 73 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.979 16.6 170.8-120.6 130.9 -28.8 18.0 -5.1 41 43 A F E > -A 44 0A 37 3,-2.3 3,-0.7 -2,-0.4 2,-0.2 -0.929 63.0 -56.5-140.8 114.1 -27.8 15.9 -8.1 42 44 A K T 3 S- 0 0 128 -2,-0.4 -1,-0.0 1,-0.2 0, 0.0 -0.375 125.2 -2.1 58.2-118.2 -28.8 12.3 -8.4 43 45 A N T 3 S+ 0 0 40 -2,-0.2 456,-2.0 -3,-0.1 2,-0.3 -0.093 122.6 68.1 -94.9 30.5 -27.4 10.4 -5.3 44 46 A F E < -AB 41 498A 3 -3,-0.7 -3,-2.3 454,-0.2 2,-0.4 -1.000 57.5-146.0-154.9 155.2 -25.6 13.4 -3.7 45 47 A Y E -AB 40 497A 147 452,-2.3 452,-2.6 -2,-0.3 2,-0.5 -0.913 10.6-158.4-113.7 138.3 -25.7 16.8 -1.9 46 48 A M E -AB 39 496A 0 -7,-2.9 -7,-2.9 -2,-0.4 2,-0.6 -0.991 9.8-161.3-115.6 124.2 -23.1 19.6 -2.3 47 49 A D E +AB 38 495A 20 448,-3.1 448,-1.9 -2,-0.5 3,-0.3 -0.910 22.2 164.7-111.6 106.3 -23.2 22.1 0.6 48 50 A L E > + 0 0 1 -11,-3.0 3,-0.9 -2,-0.6 -10,-0.2 0.235 47.2 107.4 -98.3 9.6 -21.5 25.4 -0.2 49 51 A S E 3 + 0 0 2 1,-0.3 4,-0.2 -12,-0.2 -1,-0.2 0.735 67.4 63.9 -66.9 -23.4 -23.0 27.2 2.8 50 52 A R E 3 S+ B 0 493A 23 443,-0.6 443,-1.8 -3,-0.3 2,-0.3 -0.132 82.6 106.7 -92.3 38.7 -19.7 27.3 4.8 51 53 A Q S < S- 0 0 2 -3,-0.9 2,-2.3 441,-0.2 440,-0.1 -0.896 84.4-108.4-113.1 146.1 -18.2 29.6 2.1 52 54 A R S S+ 0 0 20 -2,-0.3 2,-0.3 438,-0.1 -2,-0.1 -0.305 82.3 94.2 -77.4 59.2 -17.7 33.4 2.7 53 55 A Y - 0 0 0 -2,-2.3 -2,-0.2 -4,-0.2 2,-0.1 -0.998 63.3-134.7-147.7 147.9 -20.5 34.7 0.5 54 56 A S > - 0 0 26 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.384 44.9 -99.6 -83.2 171.9 -24.1 35.9 0.7 55 57 A E H > S+ 0 0 56 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.864 127.4 57.2 -62.2 -32.6 -26.5 34.7 -2.0 56 58 A K H > S+ 0 0 166 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.871 106.1 47.4 -63.5 -42.6 -25.9 38.1 -3.6 57 59 A T H > S+ 0 0 2 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.879 110.7 51.5 -69.6 -36.1 -22.1 37.6 -3.8 58 60 A L H X S+ 0 0 12 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.898 107.2 54.0 -67.4 -35.9 -22.6 34.1 -5.3 59 61 A N H X S+ 0 0 90 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.884 107.0 51.4 -63.2 -35.7 -25.0 35.7 -7.9 60 62 A K H X S+ 0 0 33 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.869 105.7 54.3 -68.3 -36.6 -22.1 38.1 -8.8 61 63 A L H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.903 108.2 50.4 -61.6 -38.8 -19.8 35.1 -9.2 62 64 A V H X S+ 0 0 15 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.889 107.5 53.1 -65.1 -37.7 -22.4 33.7 -11.7 63 65 A E H X S+ 0 0 83 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.862 107.7 52.0 -65.0 -35.7 -22.3 37.2 -13.5 64 66 A Y H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.926 107.2 51.1 -63.9 -46.0 -18.5 36.8 -13.7 65 67 A A H <>S+ 0 0 0 -4,-2.1 5,-2.6 1,-0.2 -2,-0.2 0.902 112.9 47.3 -57.0 -40.4 -18.9 33.2 -15.3 66 68 A E H ><5S+ 0 0 121 -4,-2.2 3,-1.3 3,-0.2 -2,-0.2 0.919 109.3 53.4 -66.3 -44.4 -21.3 34.9 -17.9 67 69 A E H 3<5S+ 0 0 78 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.818 110.3 46.1 -62.5 -33.8 -18.9 37.8 -18.5 68 70 A V T 3<5S- 0 0 9 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.406 113.5-121.9 -86.8 0.8 -16.0 35.3 -19.3 69 71 A E T <>5 + 0 0 98 -3,-1.3 4,-2.2 -4,-0.2 -3,-0.2 0.889 49.2 166.7 59.7 45.4 -18.4 33.3 -21.5 70 72 A L H > S+ 0 0 74 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.878 110.2 50.0 -61.4 -39.7 -20.9 28.3 -21.1 72 74 A K H > S+ 0 0 102 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.924 113.8 46.3 -62.9 -44.9 -19.8 29.2 -24.6 73 75 A K H X S+ 0 0 39 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.872 112.1 48.8 -66.7 -41.9 -16.3 27.9 -23.9 74 76 A V H X S+ 0 0 6 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.926 111.7 50.9 -64.2 -44.2 -17.5 24.7 -22.2 75 77 A E H X S+ 0 0 108 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.912 108.0 51.8 -59.8 -43.2 -19.8 24.0 -25.2 76 78 A K H X>S+ 0 0 69 -4,-2.2 5,-2.3 2,-0.2 4,-0.7 0.884 110.0 50.7 -60.5 -40.1 -16.9 24.5 -27.7 77 79 A T H ><5S+ 0 0 6 -4,-1.8 3,-1.2 1,-0.2 14,-0.4 0.954 112.0 45.1 -60.6 -53.8 -14.8 21.9 -25.6 78 80 A F H 3<5S+ 0 0 21 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.810 109.8 57.6 -59.6 -35.6 -17.7 19.3 -25.7 79 81 A M H 3<5S- 0 0 109 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.607 118.7-108.8 -72.5 -15.3 -18.2 20.0 -29.5 80 82 A G T <<5 + 0 0 7 -3,-1.2 -3,-0.2 -4,-0.7 -2,-0.1 0.578 61.8 157.3 96.0 12.5 -14.6 19.1 -30.3 81 83 A E < - 0 0 93 -5,-2.3 2,-2.5 -6,-0.2 10,-0.5 -0.329 59.0 -98.6 -68.2 152.6 -13.3 22.6 -31.1 82 84 A K + 0 0 123 1,-0.2 8,-0.2 8,-0.2 6,-0.1 -0.382 62.2 153.3 -73.7 65.5 -9.5 23.2 -30.8 83 85 A V + 0 0 4 -2,-2.5 2,-1.7 -7,-0.1 -1,-0.2 0.673 52.3 85.0 -71.4 -19.5 -9.7 24.8 -27.3 84 86 A N B >> -F 89 0B 5 5,-2.2 5,-2.0 -3,-0.2 4,-1.0 -0.706 66.4-179.7 -82.8 87.6 -6.2 23.6 -26.4 85 87 A M T 45 + 0 0 56 -2,-1.7 -1,-0.2 1,-0.2 -2,-0.1 0.584 67.6 53.3 -75.5 -12.2 -4.9 26.8 -28.2 86 88 A T T 45S+ 0 0 53 1,-0.1 -1,-0.2 -3,-0.1 -2,-0.1 0.742 122.1 29.3 -93.0 -26.4 -1.1 26.3 -27.6 87 89 A E T 45S- 0 0 46 -3,-0.3 -2,-0.2 2,-0.1 -1,-0.1 0.422 105.4-126.4-106.8 -3.2 -1.0 22.8 -29.1 88 90 A N T <5 + 0 0 102 -4,-1.0 2,-0.3 1,-0.2 -3,-0.2 0.962 61.3 140.4 53.5 58.9 -4.0 23.5 -31.5 89 91 A R B < -F 84 0B 79 -5,-2.0 -5,-2.2 -7,-0.1 -1,-0.2 -0.935 55.2-114.2-132.0 157.5 -5.9 20.4 -30.3 90 92 A S - 0 0 16 -2,-0.3 2,-0.4 -8,-0.2 -8,-0.2 -0.386 20.8-142.7 -80.9 161.8 -9.4 19.2 -29.4 91 93 A V + 0 0 6 -10,-0.5 -11,-0.3 -14,-0.4 3,-0.2 -0.916 36.9 152.6-130.7 95.8 -10.2 18.3 -25.8 92 94 A L >> + 0 0 0 196,-2.5 3,-1.3 -2,-0.4 4,-0.6 -0.004 21.7 124.8-128.4 37.3 -12.6 15.3 -25.9 93 95 A H G >4 S+ 0 0 6 195,-0.4 3,-1.0 1,-0.3 4,-0.4 0.828 76.4 65.6 -61.5 -28.1 -12.2 13.2 -22.8 94 96 A T G >4 S+ 0 0 11 1,-0.2 3,-0.9 -3,-0.2 -1,-0.3 0.794 92.0 61.8 -63.1 -28.0 -16.0 13.7 -22.4 95 97 A A G X4 S+ 0 0 0 -3,-1.3 3,-1.2 1,-0.2 -1,-0.2 0.765 88.6 73.2 -69.2 -25.6 -16.5 11.6 -25.7 96 98 A L G << S+ 0 0 3 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.2 0.736 102.7 38.8 -59.5 -28.9 -14.9 8.6 -24.0 97 99 A R G < S+ 0 0 4 -3,-0.9 -1,-0.3 -4,-0.4 224,-0.2 0.294 78.3 122.6-110.5 10.0 -18.0 8.0 -21.8 98 100 A I < - 0 0 16 -3,-1.2 220,-0.1 -4,-0.1 5,-0.0 -0.580 67.4-119.9 -69.5 124.4 -20.9 8.8 -24.3 99 101 A P > - 0 0 16 0, 0.0 3,-1.9 0, 0.0 4,-0.1 -0.342 18.5-106.9 -70.0 158.0 -22.9 5.5 -24.3 100 102 A I G > S+ 0 0 74 1,-0.3 3,-2.0 2,-0.2 4,-0.2 0.798 115.1 65.1 -51.1 -37.9 -23.5 3.4 -27.5 101 103 A E G 3 S+ 0 0 145 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.668 104.1 48.1 -64.7 -14.6 -27.2 4.4 -27.9 102 104 A K G <> S+ 0 0 50 -3,-1.9 4,-2.7 1,-0.1 -1,-0.3 0.231 75.3 113.7-107.6 9.7 -26.0 8.0 -28.5 103 105 A I T <4 S+ 0 0 22 -3,-2.0 13,-0.2 1,-0.2 5,-0.2 0.777 92.0 25.2 -51.7 -33.7 -23.3 7.1 -31.1 104 106 A N T >4 S+ 0 0 102 -3,-0.2 3,-1.3 -4,-0.2 -1,-0.2 0.857 122.7 49.6 -99.8 -46.3 -25.2 8.9 -33.8 105 107 A T T 34 S+ 0 0 109 -4,-0.3 -2,-0.2 1,-0.3 -3,-0.1 0.770 122.6 35.4 -64.3 -30.5 -27.3 11.5 -31.9 106 108 A H T 3< S+ 0 0 60 -4,-2.7 -1,-0.3 2,-0.0 -2,-0.1 0.071 88.6 154.6-113.1 24.2 -24.1 12.7 -30.0 107 109 A K < - 0 0 122 -3,-1.3 2,-0.4 1,-0.1 -3,-0.1 -0.053 29.1-158.6 -54.9 147.9 -21.7 12.2 -32.9 108 110 A I - 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0 0 54 -5,-2.2 -1,-0.2 -6,-0.2 -2,-0.1 -0.926 53.8-134.9-137.5 108.4 -23.7 103.4 -24.4 1132 558 B K - 0 0 108 -2,-0.4 2,-0.2 -3,-0.1 -5,-0.0 -0.262 25.2-167.2 -62.4 143.2 -20.6 101.7 -22.8 1133 559 B S - 0 0 51 2,-0.3 -1,-0.1 -10,-0.0 -11,-0.0 -0.698 40.3 -95.0-123.7 178.9 -21.2 98.7 -20.5 1134 560 B D S S+ 0 0 114 -2,-0.2 2,-0.2 2,-0.1 -2,-0.0 0.364 89.7 115.4 -76.6 3.5 -19.2 96.6 -18.0 1135 561 B N - 0 0 75 -13,-0.1 2,-0.4 -16,-0.0 -2,-0.3 -0.527 55.8-151.3 -80.0 142.2 -18.6 94.2 -20.9 1136 562 B T - 0 0 92 -2,-0.2 2,-0.5 2,-0.0 -2,-0.1 -0.937 11.3-155.7-112.3 132.6 -15.1 93.5 -22.4 1137 563 B Y + 0 0 60 -2,-0.4 2,-0.4 2,-0.0 -17,-0.0 -0.960 17.8 177.3-117.6 127.6 -14.9 92.4 -26.1 1138 564 B N + 0 0 151 -2,-0.5 2,-0.3 0, 0.0 -2,-0.0 -0.709 18.0 170.6-125.2 73.8 -12.1 90.4 -27.7 1139 565 B F - 0 0 24 -2,-0.4 -2,-0.0 1,-0.1 0, 0.0 -0.648 33.7-114.4 -84.7 146.4 -13.1 89.9 -31.3 1140 566 B N > - 0 0 19 -2,-0.3 4,-2.1 1,-0.1 41,-0.2 -0.148 36.5 -95.2 -70.5 172.0 -10.6 88.5 -33.8 1141 567 B E H > S+ 0 0 35 39,-2.2 4,-1.3 1,-0.2 40,-0.1 0.839 123.4 46.9 -60.4 -36.5 -9.3 90.6 -36.7 1142 568 B S H > S+ 0 0 0 38,-0.5 4,-2.4 2,-0.2 5,-0.2 0.938 111.0 50.5 -71.4 -46.3 -11.9 89.3 -39.3 1143 569 B T H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.889 107.7 54.6 -59.0 -40.7 -14.9 89.7 -36.9 1144 570 B K H X S+ 0 0 88 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.879 109.8 47.0 -60.4 -42.4 -13.9 93.3 -36.2 1145 571 B I H X S+ 0 0 36 -4,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.951 116.8 42.4 -64.7 -51.0 -13.8 94.2 -39.9 1146 572 B L H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.863 112.6 53.0 -65.8 -35.4 -17.2 92.5 -40.6 1147 573 B L H X S+ 0 0 1 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.880 107.4 53.1 -65.4 -39.2 -18.9 94.0 -37.4 1148 574 B N H X S+ 0 0 100 -4,-1.8 4,-0.7 -5,-0.2 -1,-0.2 0.885 112.9 43.6 -61.4 -41.9 -17.7 97.5 -38.5 1149 575 B Y H >< S+ 0 0 29 -4,-1.6 3,-1.1 2,-0.2 -2,-0.2 0.953 113.3 51.3 -68.1 -48.5 -19.4 97.0 -41.9 1150 576 B Y H 3< S+ 0 0 2 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.850 114.9 43.1 -54.7 -40.6 -22.5 95.5 -40.3 1151 577 B L H 3< 0 0 31 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.519 360.0 360.0 -88.2 -5.2 -22.9 98.4 -37.9 1152 578 B S << 0 0 109 -3,-1.1 -3,-0.1 -4,-0.7 -2,-0.1 0.694 360.0 360.0-102.3 360.0 -22.2 101.3 -40.4 1153 !* 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 1154 4 C E > 0 0 89 0, 0.0 3,-2.0 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 117.5 -5.4 64.5 -65.7 1155 5 C I G > + 0 0 5 1,-0.3 3,-1.7 2,-0.2 6,-0.2 0.781 360.0 63.5 -48.9 -40.6 -5.7 67.2 -63.0 1156 6 C T G 3 S+ 0 0 42 1,-0.3 -1,-0.3 5,-0.1 0, 0.0 0.589 99.5 55.1 -65.0 -13.2 -4.0 65.1 -60.2 1157 7 C N G < S+ 0 0 103 -3,-2.0 -1,-0.3 4,-0.1 -2,-0.2 0.432 81.0 116.3 -98.1 -4.9 -0.7 65.0 -62.2 1158 8 C L S <> S- 0 0 43 -3,-1.7 4,-2.3 -4,-0.3 3,-0.2 -0.407 71.5-126.1 -68.5 144.7 -0.4 68.9 -62.5 1159 9 C K H > S+ 0 0 139 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.914 110.5 46.9 -55.1 -51.8 2.7 70.5 -60.8 1160 10 C S H > S+ 0 0 1 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.774 110.3 54.4 -64.6 -28.0 0.5 73.0 -58.7 1161 11 C Y H > S+ 0 0 23 -3,-0.2 4,-1.8 -6,-0.2 -2,-0.2 0.954 109.2 46.7 -68.9 -50.5 -1.9 70.1 -57.7 1162 12 C K H X S+ 0 0 115 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.868 111.6 51.9 -60.3 -36.0 1.0 68.0 -56.3 1163 13 C E H X S+ 0 0 52 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.905 106.7 53.4 -65.9 -40.2 2.3 71.1 -54.5 1164 14 C L H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 5,-0.2 0.851 101.4 60.8 -63.2 -34.5 -1.2 71.7 -53.0 1165 15 C V H X S+ 0 0 69 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.936 112.1 38.2 -56.6 -46.5 -1.1 68.1 -51.6 1166 16 C T H X S+ 0 0 101 -4,-1.4 4,-1.3 2,-0.2 -2,-0.2 0.915 115.9 51.0 -75.2 -39.5 2.1 69.0 -49.6 1167 17 C L H X S+ 0 0 18 -4,-2.6 4,-2.2 1,-0.2 3,-0.2 0.896 109.2 51.1 -62.9 -42.6 0.9 72.5 -48.6 1168 18 C S H X S+ 0 0 5 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.846 104.0 58.5 -63.3 -35.3 -2.5 71.2 -47.3 1169 19 C A H < S+ 0 0 57 -4,-1.3 4,-0.3 -5,-0.2 -1,-0.2 0.882 110.7 43.3 -62.0 -33.6 -0.6 68.6 -45.2 1170 20 C E H >< S+ 0 0 109 -4,-1.3 3,-1.6 -3,-0.2 -2,-0.2 0.881 109.0 57.3 -75.8 -42.2 1.2 71.5 -43.5 1171 21 C E H >< S+ 0 0 4 -4,-2.2 3,-1.8 1,-0.3 -2,-0.2 0.823 95.4 66.2 -59.1 -32.4 -2.1 73.5 -43.3 1172 22 C K T 3< S+ 0 0 102 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.700 98.6 52.8 -62.1 -22.2 -3.6 70.6 -41.3 1173 23 C T T < S+ 0 0 115 -3,-1.6 2,-0.3 -4,-0.3 -1,-0.3 0.312 97.1 87.5 -95.5 3.2 -1.1 71.3 -38.4 1174 24 C K S < S- 0 0 89 -3,-1.8 2,-0.4 -4,-0.1 3,-0.0 -0.859 72.1-131.5-110.3 144.5 -2.1 75.0 -38.3 1175 25 C D >> - 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