==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 04-JAN-11 3Q74 . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE A1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.FANUCCHI,I.A.ACHILONU,T.N.KHOZA,M.A.FERNANDES,S.GILDENHUYS . 416 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20196.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 293 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 2 0.5 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 . 16 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 191 45.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.4 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 0 0 0 2 0 4 0 3 3 1 1 0 2 0 0 0 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 2 A A 0 0 150 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -3.5 2.0 -36.0 2.1 2 3 A E - 0 0 154 1,-0.1 58,-0.4 3,-0.0 59,-0.1 -0.443 360.0-132.7 -76.6 119.7 4.2 -35.9 5.2 3 4 A K - 0 0 87 -2,-0.3 26,-0.2 1,-0.1 -1,-0.1 -0.340 38.9 -87.8 -59.7 145.2 3.8 -32.8 7.4 4 5 A P - 0 0 12 0, 0.0 26,-2.6 0, 0.0 2,-0.5 -0.221 42.7-146.0 -49.0 142.3 7.1 -31.1 8.5 5 6 A K E -aB 30 58A 62 53,-2.1 53,-2.5 24,-0.2 2,-0.6 -0.979 6.7-155.5-121.5 119.7 8.4 -32.7 11.7 6 7 A A E -aB 31 57A 0 24,-2.9 26,-2.6 -2,-0.5 2,-0.6 -0.848 3.7-161.9-102.8 120.9 10.2 -30.5 14.2 7 8 A H E +aB 32 56A 5 49,-3.0 49,-1.6 -2,-0.6 2,-0.3 -0.867 38.8 110.8-101.7 112.9 12.7 -32.2 16.7 8 9 A Y E -a 33 0A 19 24,-1.3 26,-2.5 -2,-0.6 2,-0.1 -0.949 67.8 -72.4-159.9 177.3 13.6 -30.1 19.7 9 10 A F E -a 34 0A 82 -2,-0.3 2,-1.9 24,-0.3 26,-0.1 -0.429 57.1 -96.8 -66.7 157.0 13.2 -29.8 23.4 10 11 A N S S+ 0 0 97 24,-0.6 2,-0.3 -2,-0.1 -1,-0.1 -0.586 97.4 81.3 -74.7 81.5 9.8 -28.9 24.8 11 12 A A S S- 0 0 37 -2,-1.9 4,-0.2 1,-0.2 193,-0.1 -0.937 88.6-102.9-174.9 162.1 10.8 -25.1 25.1 12 13 A R S >> S+ 0 0 33 193,-0.6 3,-1.6 -2,-0.3 4,-1.3 0.999 72.6 123.1 -60.1 -72.3 11.2 -21.9 23.0 13 14 A G T 34 S- 0 0 29 1,-0.2 3,-0.5 2,-0.2 4,-0.3 -0.016 90.9 -27.1 39.0-131.2 15.0 -22.0 22.6 14 15 A R T 34 S+ 0 0 94 1,-0.2 -1,-0.2 2,-0.1 4,-0.2 0.390 135.9 62.3 -94.8 3.2 16.2 -22.0 19.0 15 16 A M T X> S+ 0 0 0 -3,-1.6 4,-1.9 -4,-0.2 3,-0.7 0.579 80.9 82.9 -96.2 -15.6 13.1 -23.7 17.6 16 17 A E H 3X S+ 0 0 2 -4,-1.3 4,-2.3 -3,-0.5 5,-0.2 0.888 85.4 54.2 -66.5 -38.3 10.6 -20.9 18.5 17 18 A S H 3> S+ 0 0 25 -4,-0.3 4,-1.8 1,-0.2 -1,-0.3 0.852 109.1 51.6 -65.3 -29.5 11.1 -18.6 15.5 18 19 A T H <> S+ 0 0 0 -3,-0.7 4,-2.9 2,-0.2 5,-0.3 0.899 105.9 53.7 -69.4 -40.8 10.4 -21.6 13.3 19 20 A R H X S+ 0 0 1 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.922 111.6 46.3 -58.7 -45.2 7.2 -22.3 15.1 20 21 A W H X S+ 0 0 3 -4,-2.3 4,-3.1 2,-0.2 -1,-0.2 0.872 113.6 47.9 -60.5 -46.6 6.0 -18.7 14.5 21 22 A L H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.941 112.6 47.4 -67.0 -46.8 7.0 -18.7 10.9 22 23 A L H <>S+ 0 0 2 -4,-2.9 5,-2.6 2,-0.2 4,-0.3 0.907 115.4 46.5 -59.3 -38.9 5.3 -22.1 10.1 23 24 A A H ><5S+ 0 0 17 -4,-2.0 3,-2.0 -5,-0.3 -2,-0.2 0.948 110.1 51.1 -74.1 -43.2 2.2 -20.9 11.9 24 25 A A H 3<5S+ 0 0 8 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.881 109.7 53.2 -59.8 -34.6 2.1 -17.5 10.2 25 26 A A T 3<5S- 0 0 30 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.555 115.1-118.5 -74.3 -9.9 2.4 -19.5 6.9 26 27 A G T < 5 + 0 0 56 -3,-2.0 2,-0.5 -4,-0.3 -3,-0.2 0.725 59.4 157.5 74.5 24.3 -0.6 -21.7 7.8 27 28 A V < - 0 0 19 -5,-2.6 2,-0.3 -6,-0.2 -1,-0.2 -0.716 39.1-137.7 -91.3 126.2 1.6 -24.8 7.8 28 29 A E + 0 0 129 -2,-0.5 2,-0.3 -5,-0.0 -1,-0.0 -0.582 35.4 167.0 -76.1 130.7 0.5 -27.9 9.6 29 30 A F - 0 0 28 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.981 29.3-135.3-146.7 155.4 3.4 -29.6 11.5 30 31 A E E -a 5 0A 86 -26,-2.6 -24,-2.9 -2,-0.3 2,-0.4 -0.793 14.9-149.5-102.7 159.3 4.3 -32.2 14.2 31 32 A E E -a 6 0A 43 -2,-0.3 2,-0.5 -26,-0.2 -24,-0.2 -0.961 4.2-162.2-122.7 144.0 6.7 -31.9 16.9 32 33 A K E -a 7 0A 106 -26,-2.6 -24,-1.3 -2,-0.4 2,-0.4 -0.976 23.3-141.7-123.4 113.1 8.7 -34.7 18.5 33 34 A F E -a 8 0A 51 -2,-0.5 2,-0.7 -26,-0.2 -24,-0.3 -0.610 5.0-136.1 -87.6 137.1 10.0 -33.6 21.9 34 35 A I E +a 9 0A 14 -26,-2.5 -24,-0.6 -2,-0.4 3,-0.1 -0.765 33.9 162.7 -88.6 117.6 13.4 -34.5 23.2 35 36 A K + 0 0 165 -2,-0.7 2,-0.3 -26,-0.1 -1,-0.2 0.621 57.6 28.6-112.3 -23.8 12.8 -35.5 26.8 36 37 A S S > S- 0 0 41 1,-0.1 4,-1.4 0, 0.0 -1,-0.1 -0.888 77.0-112.7-133.3 164.1 16.1 -37.4 27.7 37 38 A A H > S+ 0 0 62 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.809 119.8 62.0 -65.7 -25.2 19.7 -37.5 26.8 38 39 A E H > S+ 0 0 137 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.903 100.2 51.8 -65.0 -39.4 18.8 -41.0 25.4 39 40 A D H > S+ 0 0 53 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.890 112.4 46.1 -59.7 -43.6 16.4 -39.3 22.9 40 41 A L H X S+ 0 0 30 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.904 111.7 50.6 -71.0 -39.5 19.2 -36.9 21.8 41 42 A D H X S+ 0 0 68 -4,-2.6 4,-3.5 1,-0.2 5,-0.2 0.912 107.6 54.3 -66.4 -37.0 21.7 -39.7 21.5 42 43 A K H X S+ 0 0 124 -4,-2.4 4,-2.6 2,-0.2 6,-0.2 0.938 106.9 49.6 -63.6 -48.9 19.3 -41.7 19.4 43 44 A L H <>S+ 0 0 17 -4,-1.9 5,-2.7 2,-0.2 6,-0.5 0.924 116.1 45.3 -49.3 -46.4 18.9 -38.8 16.9 44 45 A R H ><5S+ 0 0 73 -4,-2.1 3,-1.7 1,-0.2 5,-0.2 0.957 113.7 46.4 -62.2 -52.8 22.7 -38.6 16.8 45 46 A N H 3<5S+ 0 0 139 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.811 108.7 56.9 -65.9 -31.6 23.3 -42.3 16.4 46 47 A D T 3<5S- 0 0 85 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.580 114.9-117.5 -71.4 -9.8 20.6 -42.5 13.7 47 48 A G T < 5S+ 0 0 44 -3,-1.7 -3,-0.2 -4,-0.4 -2,-0.1 0.746 74.6 133.0 77.1 25.9 22.5 -39.9 11.7 48 49 A Y < + 0 0 72 -5,-2.7 2,-0.6 -6,-0.2 -4,-0.2 0.699 57.7 63.3 -75.8 -18.5 19.6 -37.4 11.9 49 50 A L > - 0 0 2 -6,-0.5 3,-2.0 -5,-0.2 -1,-0.2 -0.894 63.2-161.0-122.6 102.6 21.8 -34.4 12.9 50 51 A M T 3 S+ 0 0 53 -2,-0.6 -1,-0.2 13,-0.3 14,-0.0 0.880 98.7 23.0 -57.3 -37.6 24.4 -33.2 10.5 51 52 A F T 3 S- 0 0 1 2,-0.3 -1,-0.3 292,-0.0 3,-0.1 0.001 116.4-102.7-114.2 28.1 26.4 -31.4 13.2 52 53 A Q S < S+ 0 0 65 -3,-2.0 2,-0.3 1,-0.2 -2,-0.1 0.610 88.8 102.7 63.6 18.9 25.1 -33.4 16.2 53 54 A Q - 0 0 62 2,-0.1 -2,-0.3 -10,-0.1 -1,-0.2 -0.894 59.5-107.7-129.9 156.0 22.7 -30.7 17.3 54 55 A V S S+ 0 0 23 -2,-0.3 2,-0.1 -3,-0.1 -46,-0.1 -0.746 72.9 87.4-102.2 164.4 19.0 -29.8 17.3 55 56 A P + 0 0 7 0, 0.0 11,-0.6 0, 0.0 2,-0.4 0.359 61.5 165.6 -64.0 149.2 16.8 -28.0 16.1 56 57 A M E -BC 7 65A 0 -49,-1.6 -49,-3.0 9,-0.2 2,-0.4 -0.998 18.9-164.6-134.5 136.1 16.2 -30.3 13.2 57 58 A V E -BC 6 64A 0 7,-2.9 7,-2.7 -2,-0.4 2,-0.6 -0.986 11.4-149.3-118.8 132.9 13.3 -30.2 10.9 58 59 A E E +BC 5 63A 44 -53,-2.5 -53,-2.1 -2,-0.4 2,-0.3 -0.883 37.6 155.6 -93.8 118.2 12.3 -33.1 8.6 59 60 A I E > - C 0 62A 4 3,-2.1 3,-2.1 -2,-0.6 -56,-0.1 -0.970 59.0 -7.4-153.0 128.7 10.7 -31.4 5.7 60 61 A D T 3 S- 0 0 52 -58,-0.4 3,-0.1 -2,-0.3 -57,-0.1 0.872 128.7 -53.6 49.8 40.0 10.2 -32.3 2.0 61 62 A G T 3 S+ 0 0 68 1,-0.3 2,-0.3 -59,-0.1 -1,-0.3 0.535 116.3 109.6 77.6 8.2 12.5 -35.4 2.5 62 63 A M E < -C 59 0A 27 -3,-2.1 -3,-2.1 2,-0.0 2,-0.6 -0.780 63.5-141.9-104.0 158.2 15.4 -33.4 4.0 63 64 A K E -C 58 0A 85 -2,-0.3 2,-0.4 -5,-0.2 -13,-0.3 -0.845 32.2-167.2-117.4 86.0 16.7 -33.4 7.6 64 65 A L E +C 57 0A 1 -7,-2.7 -7,-2.9 -2,-0.6 2,-0.2 -0.674 12.3 176.4 -83.7 126.8 17.5 -29.7 8.0 65 66 A V E +C 56 0A 4 -2,-0.4 -9,-0.2 -9,-0.2 4,-0.1 -0.741 44.6 68.8-117.4 177.2 19.5 -28.4 11.0 66 67 A Q S >> S- 0 0 22 -11,-0.6 4,-2.1 -2,-0.2 3,-0.6 0.730 76.7-121.1 72.3 113.8 20.8 -24.9 11.6 67 68 A T H 3> S+ 0 0 30 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.861 111.4 52.8 -51.4 -37.7 17.9 -22.4 12.5 68 69 A R H 3> S+ 0 0 55 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.889 108.3 49.2 -74.8 -31.3 18.9 -20.2 9.5 69 70 A A H <> S+ 0 0 0 -3,-0.6 4,-1.7 232,-0.2 -1,-0.2 0.898 112.9 47.4 -68.4 -41.2 18.8 -23.0 7.0 70 71 A I H X S+ 0 0 1 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.963 115.5 44.9 -61.2 -50.2 15.3 -24.2 8.3 71 72 A L H X S+ 0 0 11 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.840 110.4 52.4 -68.7 -43.0 13.9 -20.7 8.2 72 73 A N H X S+ 0 0 11 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.901 111.4 47.9 -60.9 -43.3 15.3 -19.7 4.8 73 74 A Y H X S+ 0 0 10 -4,-1.7 4,-2.8 2,-0.2 5,-0.2 0.952 114.8 45.1 -61.4 -53.0 13.8 -22.8 3.3 74 75 A I H X S+ 0 0 1 -4,-2.4 4,-2.8 1,-0.2 6,-0.2 0.955 112.5 51.8 -51.7 -50.5 10.3 -22.3 4.9 75 76 A A H <>S+ 0 0 0 -4,-2.8 5,-3.0 1,-0.2 6,-0.5 0.905 114.3 41.3 -59.3 -43.0 10.3 -18.6 4.0 76 77 A S H ><5S+ 0 0 28 -4,-2.0 3,-1.1 4,-0.2 -1,-0.2 0.895 113.1 54.0 -72.6 -40.4 11.0 -19.2 0.3 77 78 A K H 3<5S+ 0 0 77 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.917 114.9 40.2 -61.5 -42.4 8.7 -22.2 0.1 78 79 A Y T 3<5S- 0 0 73 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.240 114.1-108.9 -95.7 19.7 5.9 -20.2 1.4 79 80 A N T < 5S+ 0 0 117 -3,-1.1 -3,-0.2 -4,-0.2 3,-0.2 0.842 84.3 119.5 64.4 37.3 6.5 -16.8 -0.4 80 81 A L < + 0 0 13 -5,-3.0 74,-3.0 -6,-0.2 75,-0.3 0.034 53.0 78.1-115.8 17.8 7.6 -15.0 2.7 81 82 A Y S S- 0 0 10 -6,-0.5 -1,-0.1 1,-0.4 10,-0.1 0.105 102.9 -96.8-120.4 26.0 11.1 -14.1 1.5 82 83 A G - 0 0 34 70,-0.2 -1,-0.4 -3,-0.2 3,-0.1 -0.047 39.1 -81.8 81.2 172.9 10.3 -11.2 -0.9 83 84 A K S S- 0 0 160 -3,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.730 99.4 -3.2 -87.2 -24.4 9.8 -11.1 -4.7 84 85 A D S > S- 0 0 66 -3,-0.1 4,-2.1 1,-0.0 5,-0.2 -0.879 87.1 -75.1-153.6-173.7 13.4 -11.0 -5.8 85 86 A I H > S+ 0 0 56 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.841 123.8 52.4 -64.1 -38.1 17.1 -10.9 -4.7 86 87 A K H > S+ 0 0 97 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.917 111.0 45.3 -72.0 -40.2 17.0 -7.2 -3.8 87 88 A E H > S+ 0 0 34 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.884 110.7 55.5 -66.1 -33.9 13.9 -7.5 -1.5 88 89 A R H X S+ 0 0 19 -4,-2.1 4,-3.4 1,-0.2 -2,-0.2 0.907 103.9 55.5 -65.1 -37.5 15.5 -10.6 0.0 89 90 A A H X S+ 0 0 1 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.919 109.9 44.2 -58.8 -50.1 18.6 -8.4 0.8 90 91 A L H X S+ 0 0 54 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.929 114.5 50.1 -57.2 -44.1 16.5 -5.9 2.8 91 92 A I H X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.951 112.7 47.1 -58.8 -51.3 14.7 -8.8 4.4 92 93 A D H X S+ 0 0 2 -4,-3.4 4,-2.3 2,-0.2 5,-0.2 0.908 111.2 49.4 -57.3 -45.5 18.0 -10.4 5.4 93 94 A M H X S+ 0 0 12 -4,-2.6 4,-1.7 -5,-0.2 -1,-0.2 0.960 115.2 46.0 -61.2 -48.8 19.6 -7.2 6.7 94 95 A Y H X S+ 0 0 21 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.951 115.2 44.4 -57.6 -49.7 16.4 -6.5 8.8 95 96 A I H X S+ 0 0 6 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.747 107.8 57.4 -78.3 -20.4 16.1 -10.0 10.2 96 97 A E H X S+ 0 0 12 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 0.871 107.3 49.0 -72.7 -33.0 19.8 -10.4 11.0 97 98 A G H X S+ 0 0 0 -4,-1.7 4,-2.4 -5,-0.2 -2,-0.2 0.916 111.5 49.7 -65.4 -41.8 19.6 -7.4 13.2 98 99 A I H X S+ 0 0 10 -4,-1.9 4,-3.5 2,-0.2 -2,-0.2 0.909 111.2 50.1 -58.6 -42.2 16.5 -8.9 14.8 99 100 A A H X S+ 0 0 32 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.884 108.2 52.3 -67.3 -38.7 18.5 -12.1 15.3 100 101 A D H X S+ 0 0 46 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.940 114.5 41.9 -61.8 -46.3 21.3 -10.2 16.8 101 102 A L H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 3,-0.3 0.932 114.3 52.3 -65.2 -42.6 19.0 -8.6 19.3 102 103 A G H X S+ 0 0 21 -4,-3.5 4,-3.6 1,-0.3 -1,-0.2 0.874 104.4 56.2 -60.2 -40.6 17.1 -11.8 19.9 103 104 A E H X S+ 0 0 72 -4,-2.5 4,-2.2 2,-0.2 -1,-0.3 0.894 105.7 50.9 -61.4 -40.4 20.3 -13.7 20.6 104 105 A M H X S+ 0 0 34 -4,-1.4 4,-0.8 -3,-0.3 -1,-0.2 0.909 115.6 41.9 -63.4 -44.2 21.2 -11.2 23.4 105 106 A I H >< S+ 0 0 25 -4,-2.0 3,-0.7 1,-0.2 -2,-0.2 0.939 113.0 53.8 -65.7 -48.7 17.8 -11.7 25.0 106 107 A L H 3< S+ 0 0 60 -4,-3.6 -2,-0.2 1,-0.2 -1,-0.2 0.869 114.4 40.6 -54.3 -40.2 17.8 -15.4 24.4 107 108 A L H >< S+ 0 0 90 -4,-2.2 3,-1.5 1,-0.2 -1,-0.2 0.574 87.3 95.0 -90.5 -10.4 21.2 -15.9 26.2 108 109 A L G X< S+ 0 0 19 -4,-0.8 3,-2.0 -3,-0.7 -1,-0.2 0.851 76.9 60.5 -49.8 -43.5 20.5 -13.5 29.1 109 110 A P G 3 S+ 0 0 75 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.793 108.8 45.5 -57.1 -28.6 19.3 -16.2 31.5 110 111 A V G < S+ 0 0 125 -3,-1.5 -2,-0.2 -4,-0.1 -3,-0.1 0.266 84.2 124.9 -99.0 7.3 22.7 -17.9 31.2 111 112 A C S < S- 0 0 16 -3,-2.0 5,-0.2 -4,-0.2 -3,-0.0 -0.507 80.1 -91.3 -64.6 136.2 24.7 -14.7 31.7 112 113 A P >> - 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0 0 3 -6,-0.6 3,-1.7 -5,-0.2 -1,-0.1 -0.902 64.5-160.7-121.8 102.8 24.8 1.8 8.9 259 51 B M T 3 S+ 0 0 33 -2,-0.6 -1,-0.2 13,-0.4 14,-0.0 0.871 97.5 25.6 -49.6 -44.0 21.3 0.5 9.6 260 52 B F T 3 S- 0 0 1 2,-0.3 -1,-0.3 -126,-0.0 3,-0.1 0.059 115.7-104.7-112.8 24.6 22.3 -0.9 13.0 261 53 B Q S < S+ 0 0 56 -3,-1.7 2,-0.3 1,-0.2 -8,-0.1 0.599 88.0 103.6 70.0 14.6 25.2 1.5 13.6 262 54 B Q - 0 0 62 2,-0.1 -2,-0.3 -10,-0.1 -1,-0.2 -0.883 59.8-105.2-129.2 153.0 27.8 -1.3 12.8 263 55 B V S S+ 0 0 21 -2,-0.3 2,-0.2 -3,-0.1 -46,-0.1 -0.732 74.2 84.8-103.9 163.6 30.2 -2.4 10.1 264 56 B P + 0 0 7 0, 0.0 11,-0.7 0, 0.0 2,-0.3 0.413 62.7 163.6 -65.2 151.9 30.7 -4.5 7.9 265 57 B M E -EF 216 274B 0 -49,-1.4 -49,-3.2 -2,-0.2 2,-0.4 -0.983 19.4-164.8-141.3 140.8 28.7 -2.5 5.3 266 58 B V E -EF 215 273B 1 7,-2.6 7,-2.6 -2,-0.3 2,-0.7 -0.987 14.3-144.2-131.8 127.9 28.8 -2.9 1.6 267 59 B E E +EF 214 272B 33 -53,-2.8 -53,-1.9 -2,-0.4 2,-0.3 -0.752 40.8 152.0 -83.5 113.0 27.4 -0.4 -1.0 268 60 B I E > - F 0 271B 3 3,-1.9 3,-2.3 -2,-0.7 -56,-0.1 -0.965 58.5 -11.1-149.3 131.1 26.1 -2.6 -3.8 269 61 B D T 3 S- 0 0 30 -58,-0.4 3,-0.1 -2,-0.3 -1,-0.1 0.872 128.6 -47.6 53.4 41.8 23.3 -2.1 -6.4 270 62 B G T 3 S+ 0 0 70 1,-0.2 -1,-0.3 0, 0.0 2,-0.2 0.351 117.6 108.8 83.3 -4.1 21.8 1.0 -4.7 271 63 B M E < -F 268 0B 22 -3,-2.3 -3,-1.9 -5,-0.0 2,-0.6 -0.646 62.4-145.1-106.9 157.3 21.8 -0.6 -1.2 272 64 B K E -F 267 0B 79 -2,-0.2 2,-0.5 -5,-0.2 -13,-0.4 -0.855 34.2-163.4-114.7 82.8 23.9 -0.0 2.0 273 65 B L E +F 266 0B 0 -7,-2.6 -7,-2.6 -2,-0.6 2,-0.3 -0.641 13.8 176.6 -83.5 123.6 23.9 -3.6 3.1 274 66 B V E +F 265 0B 3 -2,-0.5 -9,-0.2 -9,-0.2 -178,-0.1 -0.806 44.1 64.8-114.2 172.8 24.8 -4.4 6.7 275 67 B Q S >> S- 0 0 22 -11,-0.7 4,-2.3 -2,-0.3 3,-0.6 0.688 76.2-120.8 74.3 113.7 24.9 -7.8 8.5 276 68 B T H 3> S+ 0 0 28 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.887 111.3 51.3 -48.9 -45.4 27.4 -10.3 7.1 277 69 B R H 3> S+ 0 0 56 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.849 110.6 48.4 -67.0 -38.7 24.8 -12.9 6.2 278 70 B A H <> S+ 0 0 0 -3,-0.6 4,-1.7 -186,-0.2 -1,-0.2 0.903 113.2 48.2 -60.5 -45.3 22.7 -10.4 4.4 279 71 B I H X S+ 0 0 1 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.941 116.7 42.2 -62.8 -48.6 25.8 -9.2 2.5 280 72 B L H X S+ 0 0 10 -4,-3.0 4,-2.7 -5,-0.2 5,-0.2 0.869 109.8 55.3 -73.0 -40.7 26.9 -12.6 1.6 281 73 B N H X S+ 0 0 10 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.892 111.7 46.4 -52.6 -42.8 23.4 -14.0 0.7 282 74 B Y H X S+ 0 0 6 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.949 114.1 45.8 -66.4 -52.7 23.0 -11.2 -1.8 283 75 B I H X S+ 0 0 1 -4,-2.3 4,-2.3 1,-0.2 6,-0.2 0.948 112.4 52.1 -53.6 -48.6 26.4 -11.6 -3.4 284 76 B A H <>S+ 0 0 0 -4,-2.7 5,-3.5 1,-0.2 6,-0.4 0.891 113.8 42.8 -57.5 -43.3 26.0 -15.4 -3.6 285 77 B S H ><5S+ 0 0 34 -4,-2.0 3,-1.5 3,-0.2 -1,-0.2 0.926 112.6 51.9 -66.7 -47.3 22.7 -15.1 -5.4 286 78 B K H 3<5S+ 0 0 78 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.858 116.0 40.1 -59.5 -35.4 23.8 -12.3 -7.8 287 79 B Y T 3<5S- 0 0 65 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.102 115.2-109.9-105.8 20.4 26.9 -14.2 -8.9 288 80 B N T < 5S+ 0 0 124 -3,-1.5 -3,-0.2 1,-0.1 3,-0.2 0.876 81.5 124.4 56.3 47.7 25.2 -17.7 -9.1 289 81 B L < + 0 0 13 -5,-3.5 74,-3.0 -6,-0.2 75,-0.3 -0.060 51.8 80.0-119.4 25.0 27.0 -19.1 -6.1 290 82 B Y S S- 0 0 6 1,-0.5 3,-0.2 -6,-0.4 -1,-0.1 0.046 102.0-101.2-125.1 22.3 23.9 -20.1 -4.2 291 83 B G - 0 0 33 70,-0.2 -1,-0.5 -3,-0.2 3,-0.1 -0.199 38.7 -84.6 86.1-178.6 22.9 -23.4 -6.0 292 84 B K S S+ 0 0 156 1,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.547 96.9 15.2-108.2 -5.2 20.3 -23.7 -8.6 293 85 B D S > S- 0 0 56 -3,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.965 83.6 -86.4-159.5 174.3 17.1 -24.2 -6.5 294 86 B I H > S+ 0 0 47 -2,-0.3 4,-1.4 1,-0.2 -217,-0.1 0.790 123.0 48.3 -57.6 -39.0 15.4 -23.9 -3.0 295 87 B K H > S+ 0 0 97 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.867 111.5 48.1 -72.8 -37.3 16.6 -27.5 -2.0 296 88 B E H > S+ 0 0 38 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.882 111.3 53.1 -72.1 -32.9 20.3 -26.9 -3.0 297 89 B R H X S+ 0 0 56 -4,-2.7 4,-3.5 2,-0.2 -1,-0.2 0.876 104.6 55.2 -58.9 -40.7 20.1 -23.6 -1.1 298 90 B A H X S+ 0 0 0 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.912 110.7 44.1 -59.5 -44.9 18.8 -25.5 1.9 299 91 B L H X S+ 0 0 62 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.917 114.7 49.8 -67.9 -46.8 22.0 -27.8 1.8 300 92 B I H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 5,-0.2 0.947 111.8 47.8 -53.2 -52.1 24.2 -24.8 1.2 301 93 B D H X S+ 0 0 4 -4,-3.5 4,-2.5 2,-0.2 5,-0.2 0.895 111.6 50.2 -60.0 -39.5 22.7 -22.9 4.2 302 94 B M H X S+ 0 0 5 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.973 115.0 43.3 -65.1 -46.5 23.0 -25.9 6.4 303 95 B Y H X S+ 0 0 17 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.927 116.4 46.5 -59.5 -45.7 26.7 -26.4 5.5 304 96 B I H X S+ 0 0 7 -4,-3.0 4,-3.0 1,-0.2 -1,-0.2 0.816 108.6 54.4 -79.9 -25.7 27.6 -22.7 5.7 305 97 B E H X S+ 0 0 14 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.876 109.3 48.8 -69.5 -37.3 25.8 -22.2 9.0 306 98 B G H X S+ 0 0 0 -4,-1.8 4,-2.0 -5,-0.2 5,-0.2 0.937 111.3 50.5 -63.3 -45.5 27.9 -25.0 10.5 307 99 B I H X S+ 0 0 11 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.923 109.9 50.3 -52.6 -50.0 30.9 -23.3 8.9 308 100 B A H X S+ 0 0 31 -4,-3.0 4,-3.0 2,-0.2 -2,-0.2 0.900 107.4 54.2 -60.0 -37.5 29.9 -19.9 10.6 309 101 B D H X S+ 0 0 46 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.951 115.3 38.2 -59.0 -51.8 29.5 -21.6 14.0 310 102 B L H X S+ 0 0 1 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.909 117.4 50.8 -65.3 -42.6 33.1 -23.1 13.9 311 103 B G H X S+ 0 0 20 -4,-2.9 4,-2.8 -5,-0.2 -2,-0.2 0.881 105.9 56.1 -68.1 -36.5 34.4 -19.9 12.3 312 104 B E H X S+ 0 0 65 -4,-3.0 4,-1.9 -5,-0.2 -1,-0.2 0.916 105.8 52.3 -58.9 -40.8 32.7 -17.7 15.0 313 105 B M H X S+ 0 0 39 -4,-1.6 4,-1.1 1,-0.2 -1,-0.2 0.933 113.3 42.0 -61.9 -45.0 34.6 -19.7 17.7 314 106 B I H < S+ 0 0 26 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.877 111.0 57.0 -69.3 -39.9 38.0 -19.2 16.1 315 107 B L H < S+ 0 0 67 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.835 113.6 39.0 -58.1 -37.9 37.2 -15.6 15.3 316 108 B L H >< S+ 0 0 82 -4,-1.9 3,-2.5 -5,-0.2 -1,-0.2 0.621 87.5 96.3 -94.1 -14.8 36.5 -14.8 19.0 317 109 B L G >< S+ 0 0 14 -4,-1.1 3,-1.1 1,-0.3 -1,-0.2 0.837 79.1 58.6 -44.5 -43.3 39.3 -17.0 20.5 318 110 B P G 3 S+ 0 0 103 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.703 103.5 53.0 -62.4 -17.1 41.7 -14.0 20.8 319 111 B V G < S+ 0 0 122 -3,-2.5 -2,-0.2 -4,-0.1 -3,-0.1 0.121 84.7 97.0-112.3 26.3 39.4 -11.9 23.0 320 112 B C S < S- 0 0 40 -3,-1.1 5,-0.1 -4,-0.1 -3,-0.0 -0.618 87.0 -74.1-106.1 171.9 38.5 -14.2 25.9 321 113 B P > - 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