==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE (GLUTATHIONE) 09-JUN-95 1GSF . COMPND 2 MOLECULE: GLUTATHIONE TRANSFERASE A1-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.L'HERMITE,I.SINNING,A.D.CAMERON,T.A.JONES . 884 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41418.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 660 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 4.1 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 . 4 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 . 36 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 116 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 420 47.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 3.2 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 4 0 0 12 8 4 0 8 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 0 0 4 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 108 0, 0.0 60,-0.2 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0-178.6 83.8 39.1 -7.9 2 3 A E + 0 0 201 2,-0.1 58,-0.1 58,-0.1 0, 0.0 0.464 360.0 80.0 -97.6 -8.3 82.9 35.9 -9.8 3 4 A K S S- 0 0 77 56,-0.0 2,-0.2 24,-0.0 26,-0.2 -0.858 89.5-109.9-103.5 138.4 85.1 33.8 -7.5 4 5 A P - 0 0 7 0, 0.0 26,-3.0 0, 0.0 2,-0.6 -0.462 27.2-146.7 -64.4 131.3 84.0 32.6 -4.1 5 6 A K E -aB 30 58A 22 53,-1.6 53,-1.9 24,-0.2 2,-0.6 -0.923 8.6-156.3-103.7 117.6 85.8 34.4 -1.2 6 7 A L E -aB 31 57A 1 24,-3.0 26,-2.2 -2,-0.6 2,-0.7 -0.862 4.7-157.4 -96.5 120.4 86.3 32.2 1.8 7 8 A H E +aB 32 56A 14 49,-2.3 49,-1.0 -2,-0.6 2,-0.3 -0.849 40.2 106.5-101.0 115.6 86.8 34.1 5.1 8 9 A Y E -a 33 0A 27 24,-0.7 26,-2.2 -2,-0.7 2,-0.1 -0.912 69.8 -68.7-165.5-177.8 88.5 32.2 7.8 9 10 A F - 0 0 4 -2,-0.3 2,-2.4 24,-0.2 26,-0.1 -0.454 61.2 -96.5 -78.2 158.7 91.7 31.7 9.8 10 11 A N S S+ 0 0 71 24,-0.4 2,-0.3 -2,-0.1 3,-0.1 -0.518 94.2 83.4 -79.8 75.8 94.7 30.3 7.9 11 12 A A S S- 0 0 7 -2,-2.4 4,-0.2 1,-0.2 -2,-0.1 -0.981 88.8 -98.0-164.3 172.4 93.9 26.8 9.1 12 13 A R S >> S+ 0 0 27 193,-0.5 4,-1.4 -2,-0.3 3,-1.2 0.991 75.5 118.4 -60.3 -76.7 92.0 23.6 8.7 13 14 A G T 34 S- 0 0 26 1,-0.2 4,-0.3 2,-0.2 3,-0.2 -0.124 91.3 -28.4 49.3-137.9 89.4 24.3 11.3 14 15 A R T 34 S+ 0 0 100 1,-0.2 -1,-0.2 2,-0.1 4,-0.2 0.457 133.7 60.9 -90.4 -5.1 85.7 24.5 10.1 15 16 A M T X> S+ 0 0 0 -3,-1.2 4,-1.7 -4,-0.2 3,-1.0 0.655 77.5 87.8 -97.2 -16.9 86.5 25.7 6.6 16 17 A E H 3X S+ 0 0 3 -4,-1.4 4,-2.3 1,-0.3 3,-0.2 0.877 85.1 52.2 -52.6 -47.8 88.5 22.7 5.3 17 18 A S H 3> S+ 0 0 25 -4,-0.3 4,-1.7 1,-0.3 -1,-0.3 0.810 107.0 54.7 -62.2 -27.3 85.6 20.6 4.1 18 19 A T H <> S+ 0 0 0 -3,-1.0 4,-2.6 2,-0.2 -1,-0.3 0.901 107.6 51.4 -69.5 -39.5 84.4 23.5 2.1 19 20 A R H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 5,-0.3 0.929 108.9 49.4 -62.7 -44.5 87.8 23.7 0.5 20 21 A W H X S+ 0 0 3 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.860 113.1 47.7 -64.4 -33.9 87.8 20.0 -0.4 21 22 A L H X S+ 0 0 0 -4,-1.7 4,-1.8 -5,-0.2 -2,-0.2 0.941 112.0 46.5 -73.1 -47.3 84.3 20.4 -2.0 22 23 A L H X>S+ 0 0 0 -4,-2.6 5,-2.5 2,-0.2 4,-0.6 0.962 117.0 45.2 -58.6 -50.2 85.0 23.5 -4.1 23 24 A A H ><5S+ 0 0 15 -4,-2.2 3,-1.3 1,-0.3 -1,-0.2 0.901 111.8 50.4 -59.7 -48.4 88.3 22.0 -5.3 24 25 A A H 3<5S+ 0 0 8 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.812 110.1 52.9 -61.0 -27.9 86.8 18.6 -6.0 25 26 A A H 3<5S- 0 0 33 -4,-1.8 -1,-0.3 -3,-0.2 -2,-0.2 0.611 117.4-118.2 -80.1 -14.9 84.1 20.5 -7.9 26 27 A G T <<5 + 0 0 52 -3,-1.3 2,-0.4 -4,-0.6 -3,-0.2 0.713 64.1 145.0 85.0 23.3 86.8 22.2 -9.9 27 28 A V < - 0 0 26 -5,-2.5 2,-0.4 -6,-0.2 -1,-0.3 -0.776 44.3-136.3 -98.1 134.9 85.9 25.7 -8.7 28 29 A E - 0 0 142 -2,-0.4 2,-0.3 -5,-0.0 -5,-0.0 -0.742 28.8-176.8 -88.7 139.4 88.6 28.3 -8.1 29 30 A F - 0 0 27 -2,-0.4 2,-0.3 -26,-0.2 -24,-0.2 -0.912 22.8-132.6-137.9 158.4 88.3 30.4 -4.9 30 31 A E E -a 5 0A 69 -26,-3.0 -24,-3.0 -2,-0.3 2,-0.5 -0.829 18.2-146.7-104.1 151.7 90.0 33.2 -3.1 31 32 A E E -a 6 0A 46 -2,-0.3 2,-0.8 -26,-0.2 -24,-0.2 -0.979 7.6-166.0-124.1 123.3 90.8 33.1 0.6 32 33 A K E -a 7 0A 93 -26,-2.2 -24,-0.7 -2,-0.5 -2,-0.0 -0.839 23.7-149.6-109.2 91.0 90.7 36.2 2.8 33 34 A F E -a 8 0A 56 -2,-0.8 2,-0.9 -26,-0.2 -24,-0.2 -0.245 10.3-130.7 -63.2 144.8 92.5 35.1 5.9 34 35 A I + 0 0 5 -26,-2.2 -24,-0.4 1,-0.2 -1,-0.1 -0.869 30.1 172.3 -99.2 103.8 91.8 36.5 9.3 35 36 A K + 0 0 142 -2,-0.9 2,-0.3 1,-0.2 -1,-0.2 0.813 61.6 10.8 -81.4 -33.9 95.1 37.5 10.7 36 37 A S S >> S- 0 0 32 182,-0.1 3,-1.6 1,-0.1 4,-1.4 -0.970 75.1-104.2-146.4 163.2 93.9 39.3 13.9 37 38 A A H 3> S+ 0 0 25 -2,-0.3 4,-1.9 1,-0.3 5,-0.2 0.756 118.4 65.0 -57.6 -24.8 90.9 40.0 16.1 38 39 A E H 3> S+ 0 0 139 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.896 101.4 50.0 -64.9 -37.7 90.8 43.4 14.5 39 40 A D H <> S+ 0 0 62 -3,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.924 109.9 48.8 -63.2 -48.5 90.0 41.7 11.2 40 41 A L H X S+ 0 0 1 -4,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.815 111.9 49.5 -62.2 -33.6 87.2 39.6 12.8 41 42 A D H X S+ 0 0 57 -4,-1.9 4,-3.3 2,-0.2 5,-0.3 0.880 104.8 57.9 -73.9 -37.9 85.7 42.7 14.4 42 43 A K H X S+ 0 0 131 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.929 109.5 45.3 -56.4 -45.6 85.8 44.6 11.1 43 44 A L H X>S+ 0 0 15 -4,-1.8 5,-2.1 2,-0.2 4,-1.0 0.938 113.6 48.9 -62.3 -51.4 83.6 41.8 9.5 44 45 A R H ><5S+ 0 0 51 -4,-1.9 3,-0.9 1,-0.2 -2,-0.2 0.930 115.2 44.3 -54.8 -48.4 81.2 41.7 12.5 45 46 A N H 3<5S+ 0 0 136 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.806 108.7 57.1 -69.8 -28.2 80.9 45.5 12.4 46 47 A D H 3<5S- 0 0 71 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.660 113.9-121.0 -74.6 -16.8 80.5 45.5 8.6 47 48 A G T <<5S+ 0 0 49 -4,-1.0 -3,-0.2 -3,-0.9 -2,-0.1 0.797 74.2 128.2 81.4 33.1 77.6 43.2 9.1 48 49 A Y < + 0 0 81 -5,-2.1 2,-0.6 1,-0.2 -4,-0.2 0.609 59.8 65.8 -93.5 -13.9 79.0 40.3 7.1 49 50 A L > - 0 0 5 -6,-0.4 3,-1.7 -5,-0.2 -1,-0.2 -0.893 62.7-164.8-114.9 105.6 78.4 37.6 9.7 50 51 A M T 3 S+ 0 0 53 -2,-0.6 -1,-0.2 13,-0.3 306,-0.1 0.858 95.2 28.5 -54.1 -43.6 74.8 36.9 10.6 51 52 A F T 3 S- 0 0 1 2,-0.3 -1,-0.3 305,-0.0 3,-0.1 0.041 115.8-106.6-108.7 25.5 75.6 35.1 13.9 52 53 A Q S < S+ 0 0 59 -3,-1.7 2,-0.2 1,-0.2 -8,-0.1 0.360 87.6 96.4 69.8 -2.6 78.9 37.0 14.5 53 54 A Q - 0 0 75 2,-0.1 -2,-0.3 -9,-0.1 -1,-0.2 -0.600 60.6-101.5-116.0 175.4 81.0 34.0 13.6 54 55 A V S S+ 0 0 22 -2,-0.2 2,-0.2 -3,-0.1 -46,-0.1 -0.781 72.6 87.6-124.5 167.7 83.0 32.5 10.7 55 56 A P + 0 0 4 0, 0.0 11,-0.7 0, 0.0 2,-0.3 0.465 61.5 170.7 -56.2 154.7 83.4 30.5 8.3 56 57 A M E -BC 7 65A 0 -49,-1.0 -49,-2.3 -2,-0.2 2,-0.4 -0.960 15.7-163.2-140.1 145.4 81.7 32.9 6.0 57 58 A V E -BC 6 64A 0 7,-2.0 7,-1.5 -2,-0.3 2,-0.6 -0.848 11.8-150.1-143.1 105.6 81.6 32.4 2.2 58 59 A E E +BC 5 63A 40 -53,-1.9 -53,-1.6 -2,-0.4 2,-0.3 -0.641 39.7 149.8 -73.5 112.6 80.8 35.1 -0.3 59 60 A I E > - C 0 62A 7 3,-2.0 3,-2.5 -2,-0.6 5,-0.1 -0.977 60.7 -5.2-149.3 136.8 79.2 33.2 -3.1 60 61 A D T 3 S- 0 0 60 -2,-0.3 3,-0.1 1,-0.3 -58,-0.1 0.769 127.4 -55.8 50.5 35.1 76.6 34.2 -5.7 61 62 A G T 3 S+ 0 0 81 1,-0.3 -1,-0.3 -60,-0.2 2,-0.3 0.444 115.0 110.7 83.3 -1.5 75.9 37.5 -4.0 62 63 A M E < -C 59 0A 27 -3,-2.5 -3,-2.0 -5,-0.1 2,-0.7 -0.745 63.2-141.6-106.9 153.4 75.2 35.9 -0.6 63 64 A K E -C 58 0A 80 -2,-0.3 -13,-0.3 -5,-0.2 2,-0.3 -0.840 32.3-167.4-112.6 85.1 77.2 36.1 2.6 64 65 A L E +C 57 0A 0 -7,-1.5 -7,-2.0 -2,-0.7 2,-0.3 -0.573 10.0 179.5 -79.5 134.6 76.6 32.5 3.8 65 66 A V E +C 56 0A 3 -2,-0.3 -9,-0.2 -9,-0.2 4,-0.2 -0.814 44.8 63.5-125.7 171.0 77.5 31.5 7.4 66 67 A Q S >> S- 0 0 24 -11,-0.7 4,-1.8 -2,-0.3 3,-1.0 0.742 78.5-116.4 76.8 111.7 77.1 28.2 9.2 67 68 A T H 3> S+ 0 0 31 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.855 111.3 49.5 -43.3 -51.9 79.2 25.3 7.6 68 69 A R H 3> S+ 0 0 57 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.762 107.5 53.2 -66.2 -27.3 76.3 23.2 6.6 69 70 A A H <> S+ 0 0 0 -3,-1.0 4,-1.7 245,-0.2 -1,-0.2 0.913 113.1 45.9 -71.7 -38.9 74.4 26.0 4.9 70 71 A I H X S+ 0 0 1 -4,-1.8 4,-2.3 2,-0.2 3,-0.3 0.965 114.0 46.0 -64.1 -57.1 77.6 26.6 2.9 71 72 A L H X S+ 0 0 12 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.813 111.4 53.9 -57.5 -34.2 78.3 23.0 2.0 72 73 A N H X S+ 0 0 13 -4,-1.5 4,-1.5 -5,-0.2 -1,-0.2 0.892 109.9 45.7 -69.5 -42.1 74.6 22.5 1.1 73 74 A Y H X S+ 0 0 10 -4,-1.7 4,-3.4 -3,-0.3 3,-0.4 0.979 116.1 45.2 -63.8 -55.6 74.6 25.3 -1.4 74 75 A I H X S+ 0 0 1 -4,-2.3 4,-2.0 1,-0.3 6,-0.3 0.958 112.6 50.9 -53.3 -56.5 77.9 24.4 -3.0 75 76 A A H <>S+ 0 0 0 -4,-2.5 5,-2.5 1,-0.2 6,-0.6 0.821 115.4 43.3 -52.7 -35.3 76.9 20.7 -3.2 76 77 A S H ><5S+ 0 0 24 -4,-1.5 3,-1.8 -3,-0.4 -1,-0.2 0.952 110.4 54.0 -76.1 -50.0 73.6 21.6 -4.9 77 78 A K H 3<5S+ 0 0 70 -4,-3.4 -2,-0.2 1,-0.3 -1,-0.2 0.786 113.8 42.2 -54.3 -32.3 75.0 24.2 -7.2 78 79 A Y T 3<5S- 0 0 66 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.1 -0.010 113.6-109.5-108.2 29.5 77.6 21.8 -8.6 79 80 A N T < 5S+ 0 0 124 -3,-1.8 3,-0.3 1,-0.1 -3,-0.2 0.757 82.7 122.8 49.6 37.3 75.4 18.7 -8.9 80 81 A L < + 0 0 15 -5,-2.5 74,-3.0 -6,-0.3 75,-0.3 0.202 51.6 80.8-108.2 15.2 77.1 16.8 -6.1 81 82 A Y S S- 0 0 14 -6,-0.6 -1,-0.2 1,-0.3 11,-0.1 -0.029 101.1 -97.4-112.9 32.4 74.0 16.3 -4.0 82 83 A G - 0 0 33 -3,-0.3 -1,-0.3 70,-0.2 67,-0.1 0.086 35.5 -89.5 77.8 169.2 72.4 13.3 -5.7 83 84 A K S S+ 0 0 153 -3,-0.1 2,-0.2 1,-0.0 -1,-0.1 0.908 95.9 14.9 -87.6 -44.0 69.6 13.2 -8.3 84 85 A D S > S- 0 0 57 1,-0.0 4,-2.2 0, 0.0 3,-0.4 -0.680 84.1 -90.7-124.8-176.6 66.5 13.1 -6.2 85 86 A I H > S+ 0 0 48 1,-0.2 4,-0.7 -2,-0.2 214,-0.1 0.783 122.2 52.4 -63.3 -32.8 65.1 13.5 -2.7 86 87 A K H > S+ 0 0 93 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.817 108.7 49.2 -77.7 -27.9 65.7 9.9 -1.8 87 88 A E H >> S+ 0 0 34 -3,-0.4 4,-2.3 1,-0.2 3,-0.6 0.898 107.0 55.5 -74.5 -41.2 69.3 10.0 -2.8 88 89 A R H 3X S+ 0 0 56 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.729 102.7 58.8 -61.2 -22.6 69.8 13.2 -0.8 89 90 A A H 3X S+ 0 0 1 -4,-0.7 4,-1.4 2,-0.2 -1,-0.2 0.836 107.8 43.6 -75.2 -37.9 68.5 11.3 2.2 90 91 A L H X S+ 0 0 55 -4,-1.4 4,-1.2 2,-0.2 3,-0.8 0.986 112.4 41.5 -68.4 -55.5 80.1 13.3 13.8 101 102 A L H >X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.3 3,-0.7 0.911 114.6 54.6 -56.6 -41.9 83.3 11.3 13.7 102 103 A G H 3X S+ 0 0 22 -4,-2.7 4,-2.0 1,-0.2 -1,-0.3 0.776 100.5 57.9 -64.3 -29.6 85.0 14.2 12.2 103 104 A E H < S+ 0 0 22 -4,-1.7 3,-0.5 1,-0.2 -2,-0.2 0.890 110.5 56.8 -61.6 -36.5 88.9 14.3 15.6 106 107 A L H 3< S+ 0 0 60 -4,-2.0 -1,-0.2 1,-0.2 4,-0.2 0.836 108.7 43.9 -65.4 -36.6 88.7 18.1 15.1 107 108 A L H >< S+ 0 0 86 -4,-1.2 3,-1.1 -3,-0.3 -1,-0.2 0.595 85.1 96.1 -87.3 -10.0 88.5 18.8 18.8 108 109 A L G X< S+ 0 0 15 -4,-0.9 3,-1.6 -3,-0.5 -1,-0.2 0.841 79.0 57.9 -47.8 -41.7 91.2 16.4 19.8 109 110 A P G 3 S+ 0 0 53 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.863 109.2 43.6 -60.4 -37.8 93.9 19.2 19.8 110 111 A V G < S+ 0 0 60 -3,-1.1 -2,-0.2 -4,-0.2 -3,-0.1 0.203 89.2 125.1 -94.6 18.9 92.0 21.3 22.4 111 112 A C S < S- 0 0 18 -3,-1.6 5,-0.1 -4,-0.2 -3,-0.0 -0.517 74.9 -96.4 -81.0 140.1 91.2 18.2 24.5 112 113 A P >> - 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0 0 28 -5,-2.5 2,-0.4 -6,-0.2 -1,-0.3 -0.776 44.3-136.4 -98.0 134.9 51.3 14.2 9.0 250 29 B E - 0 0 143 -2,-0.4 2,-0.3 -5,-0.0 -5,-0.0 -0.742 28.8-176.8 -88.7 139.4 50.2 11.5 11.4 251 30 B F - 0 0 28 -2,-0.4 2,-0.3 -26,-0.2 -24,-0.2 -0.912 22.8-132.6-137.9 158.4 52.9 9.4 12.9 252 31 B E E -d 227 0B 71 -26,-3.0 -24,-2.9 -2,-0.3 2,-0.5 -0.829 18.2-146.7-104.1 151.7 53.4 6.4 15.2 253 32 B E E -d 228 0B 45 -2,-0.3 2,-0.8 -26,-0.2 -24,-0.2 -0.979 7.6-166.0-124.1 123.4 55.9 6.4 18.0 254 33 B K E -d 229 0B 94 -26,-2.2 -24,-0.7 -2,-0.5 -2,-0.0 -0.839 23.7-149.6-109.2 90.9 57.7 3.2 19.1 255 34 B F E -d 230 0B 57 -2,-0.8 2,-0.9 -26,-0.2 -24,-0.2 -0.245 10.3-130.7 -63.2 144.9 59.3 4.1 22.4 256 35 B I + 0 0 4 -26,-2.2 -24,-0.4 1,-0.2 -1,-0.1 -0.869 30.2 172.2 -99.2 103.7 62.5 2.6 23.7 257 36 B K + 0 0 139 -2,-0.9 2,-0.3 1,-0.2 -1,-0.2 0.813 61.6 10.8 -81.4 -33.9 61.7 1.5 27.2 258 37 B S S >> S- 0 0 33 182,-0.1 3,-1.6 1,-0.1 4,-1.4 -0.970 75.1-104.2-146.4 163.2 64.9 -0.4 27.9 259 38 B A H 3> S+ 0 0 26 -2,-0.3 4,-1.9 1,-0.3 5,-0.2 0.756 118.4 65.0 -57.6 -24.8 68.5 -1.1 26.7 260 39 B E H 3> S+ 0 0 141 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.896 101.4 50.0 -64.9 -37.7 67.2 -4.4 25.6 261 40 B D H <> S+ 0 0 59 -3,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.924 109.9 48.9 -63.3 -48.4 65.0 -2.6 23.1 262 41 B L H X S+ 0 0 1 -4,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.815 111.9 49.5 -62.2 -33.6 67.9 -0.5 21.8 263 42 B D H X S+ 0 0 55 -4,-1.9 4,-3.3 2,-0.2 5,-0.3 0.879 104.8 57.9 -74.0 -37.8 70.0 -3.6 21.3 264 43 B K H X S+ 0 0 128 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.929 109.5 45.3 -56.4 -45.6 67.2 -5.4 19.5 265 44 B L H X>S+ 0 0 16 -4,-1.8 5,-2.1 2,-0.2 4,-0.9 0.938 113.6 48.9 -62.3 -51.4 67.2 -2.5 16.9 266 45 B R H ><5S+ 0 0 48 -4,-1.9 3,-0.9 1,-0.2 -2,-0.2 0.930 115.2 44.3 -54.8 -48.4 71.0 -2.5 16.6 267 46 B N H 3<5S+ 0 0 136 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.807 108.7 57.1 -69.8 -28.2 71.1 -6.2 16.2 268 47 B D H 3<5S- 0 0 71 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.660 113.9-121.0 -74.6 -16.8 68.2 -6.1 13.7 269 48 B G T <<5S+ 0 0 48 -4,-0.9 -3,-0.2 -3,-0.9 -2,-0.1 0.797 74.2 128.2 81.3 33.1 70.3 -3.7 11.7 270 49 B Y < + 0 0 82 -5,-2.1 2,-0.6 1,-0.2 -4,-0.2 0.608 59.8 65.8 -93.5 -13.9 67.9 -0.8 11.7 271 50 B L > - 0 0 5 -6,-0.4 3,-1.7 -5,-0.2 -1,-0.2 -0.893 62.7-164.8-114.9 105.6 70.4 1.7 12.9 272 51 B M T 3 S+ 0 0 52 -2,-0.6 -1,-0.2 13,-0.3 -138,-0.1 0.858 95.2 28.5 -54.1 -43.7 73.3 2.5 10.5 273 52 B F T 3 S- 0 0 1 2,-0.3 -1,-0.3 -139,-0.0 3,-0.1 0.041 115.8-106.6-108.7 25.5 75.4 4.2 13.1 274 53 B Q S < S+ 0 0 57 -3,-1.7 2,-0.2 1,-0.2 -8,-0.1 0.360 87.6 96.4 69.8 -2.5 74.1 2.2 16.1 275 54 B Q - 0 0 72 2,-0.1 -2,-0.3 -9,-0.1 -1,-0.2 -0.600 60.6-101.5-116.0 175.4 72.1 5.2 17.4 276 55 B V S S+ 0 0 21 -2,-0.2 2,-0.2 -3,-0.1 -46,-0.1 -0.781 72.6 87.7-124.5 167.7 68.7 6.8 17.4 277 56 B P + 0 0 4 0, 0.0 11,-0.7 0, 0.0 2,-0.3 0.464 61.5 170.7 -56.2 154.6 66.6 8.8 16.5 278 57 B M E -EF 229 287B 0 -49,-1.0 -49,-2.3 -2,-0.2 2,-0.4 -0.961 15.7-163.2-140.1 145.4 65.6 6.5 13.6 279 58 B V E -EF 228 286B 0 7,-2.0 7,-1.5 -2,-0.3 2,-0.6 -0.848 11.8-150.1-143.1 105.6 62.6 7.2 11.5 280 59 B E E +EF 227 285B 37 -53,-1.9 -53,-1.6 -2,-0.4 2,-0.3 -0.641 39.7 149.8 -73.5 112.6 60.9 4.6 9.2 281 60 B I E > - F 0 284B 7 3,-2.0 3,-2.5 -2,-0.6 5,-0.1 -0.977 60.7 -5.2-149.4 136.8 59.5 6.6 6.4 282 61 B D T 3 S- 0 0 60 -2,-0.3 3,-0.1 1,-0.3 -58,-0.1 0.769 127.4 -55.8 50.4 35.1 58.9 5.9 2.7 283 62 B G T 3 S+ 0 0 83 1,-0.3 -1,-0.3 -60,-0.2 2,-0.3 0.444 115.0 110.7 83.3 -1.4 60.6 2.5 3.1 284 63 B M E < -F 281 0B 27 -3,-2.5 -3,-2.0 -5,-0.1 2,-0.7 -0.745 63.2-141.6-106.9 153.3 63.8 3.9 4.4 285 64 B K E -F 280 0B 78 -2,-0.3 -13,-0.3 -5,-0.2 2,-0.3 -0.840 32.3-167.4-112.6 85.0 65.3 3.6 7.9 286 65 B L E +F 279 0B 0 -7,-1.5 -7,-2.0 -2,-0.7 2,-0.3 -0.572 10.0 179.5 -79.5 134.7 66.7 7.1 8.2 287 66 B V E +F 278 0B 3 -2,-0.3 -9,-0.2 -9,-0.2 4,-0.2 -0.814 44.8 63.5-125.7 171.0 69.1 8.0 11.0 288 67 B Q S >> S- 0 0 23 -11,-0.7 4,-1.8 -2,-0.3 3,-1.0 0.742 78.5-116.4 76.8 111.7 70.9 11.2 11.9 289 68 B T H 3> S+ 0 0 32 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.855 111.3 49.5 -43.3 -51.9 68.5 14.1 12.9 290 69 B R H 3> S+ 0 0 57 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.762 107.5 53.2 -66.2 -27.2 69.4 16.4 9.9 291 70 B A H <> S+ 0 0 0 -3,-1.0 4,-1.7 -199,-0.2 -1,-0.2 0.913 113.1 46.0 -71.8 -38.9 69.0 13.7 7.3 292 71 B I H X S+ 0 0 1 -4,-1.8 4,-2.3 2,-0.2 3,-0.3 0.965 114.0 46.0 -64.1 -57.1 65.5 13.0 8.7 293 72 B L H X S+ 0 0 12 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.813 111.4 53.9 -57.6 -34.1 64.5 16.7 8.9 294 73 B N H X S+ 0 0 15 -4,-1.5 4,-1.5 -5,-0.2 -1,-0.2 0.892 109.9 45.7 -69.6 -42.0 65.8 17.3 5.4 295 74 B Y H X S+ 0 0 10 -4,-1.7 4,-3.3 -3,-0.3 3,-0.4 0.979 116.1 45.2 -63.8 -55.5 63.8 14.5 3.9 296 75 B I H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.3 6,-0.3 0.958 112.6 50.9 -53.3 -56.5 60.6 15.5 5.7 297 76 B A H <>S+ 0 0 0 -4,-2.5 5,-2.5 1,-0.2 6,-0.6 0.821 115.4 43.3 -52.6 -35.3 61.0 19.2 5.0 298 77 B S H ><5S+ 0 0 24 -4,-1.5 3,-1.8 -3,-0.4 -1,-0.2 0.952 110.4 54.0 -76.1 -50.0 61.5 18.4 1.3 299 78 B K H 3<5S+ 0 0 71 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.786 113.8 42.2 -54.3 -32.3 58.8 15.9 0.9 300 79 B Y T 3<5S- 0 0 66 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.1 -0.010 113.6-109.5-108.2 29.5 56.2 18.3 2.4 301 80 B N T < 5S+ 0 0 127 -3,-1.8 3,-0.3 1,-0.1 -3,-0.2 0.757 82.7 122.8 49.7 37.3 57.2 21.5 0.5 302 81 B L < + 0 0 13 -5,-2.5 74,-3.0 -6,-0.3 75,-0.3 0.202 51.5 80.8-108.2 15.2 58.6 23.2 3.6 303 82 B Y S S- 0 0 15 -6,-0.6 -1,-0.2 1,-0.3 11,-0.1 -0.029 101.1 -97.4-112.9 32.3 62.1 23.7 2.3 304 83 B G - 0 0 30 -3,-0.3 -1,-0.3 70,-0.2 67,-0.1 0.086 35.5 -89.5 77.9 169.3 61.7 26.8 0.1 305 84 B K S S+ 0 0 153 -3,-0.1 2,-0.2 1,-0.0 -1,-0.1 0.908 95.9 15.0 -87.6 -44.0 61.2 27.0 -3.7 306 85 B D S > S- 0 0 56 1,-0.0 4,-2.2 0, 0.0 3,-0.4 -0.680 84.1 -90.8-124.8-176.7 64.7 27.2 -5.0 307 86 B I H > S+ 0 0 48 1,-0.2 4,-0.7 -2,-0.2 -230,-0.1 0.783 122.2 52.4 -63.3 -32.8 68.4 26.6 -4.2 308 87 B K H > S+ 0 0 98 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.817 108.7 49.2 -77.7 -27.9 68.8 30.2 -3.1 309 88 B E H >> S+ 0 0 32 -3,-0.4 4,-2.3 1,-0.2 3,-0.6 0.898 107.0 55.5 -74.5 -41.2 65.9 30.0 -0.7 310 89 B R H 3X S+ 0 0 61 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.729 102.7 58.8 -61.3 -22.6 67.2 26.8 0.8 311 90 B A H 3X S+ 0 0 2 -4,-0.7 4,-1.4 2,-0.2 -1,-0.2 0.837 107.8 43.6 -75.3 -37.8 70.5 28.6 1.5 312 91 B L H X S+ 0 0 54 -4,-1.4 4,-1.2 2,-0.2 3,-0.8 0.986 112.4 41.5 -68.4 -55.6 73.3 25.8 17.5 323 102 B L H >X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.3 3,-0.7 0.911 114.6 54.6 -56.6 -41.9 71.5 27.8 20.2 324 103 B G H 3X S+ 0 0 22 -4,-2.7 4,-2.0 1,-0.2 -1,-0.3 0.775 100.5 57.9 -64.3 -29.7 69.2 24.9 20.6 325 104 B E H < S+ 0 0 22 -4,-1.7 3,-0.5 1,-0.2 -2,-0.2 0.890 110.5 56.8 -61.6 -36.5 69.7 24.6 25.7 328 107 B L H 3< S+ 0 0 59 -4,-2.0 -1,-0.2 1,-0.2 4,-0.2 0.836 108.7 43.9 -65.4 -36.6 69.4 20.9 25.2 329 108 B L H >< S+ 0 0 84 -4,-1.2 3,-1.1 -3,-0.3 -1,-0.2 0.595 85.1 96.1 -87.3 -10.0 72.5 20.0 27.1 330 109 B L G X< S+ 0 0 15 -4,-0.9 3,-1.6 -3,-0.5 -1,-0.2 0.842 79.0 57.9 -47.7 -41.7 71.8 22.3 30.0 331 110 B P G 3 S+ 0 0 51 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.863 109.2 43.6 -60.4 -37.8 70.2 19.5 32.0 332 111 B V G < S+ 0 0 62 -3,-1.1 -2,-0.2 -4,-0.2 -3,-0.1 0.204 89.2 125.1 -94.6 18.9 73.4 17.3 31.9 333 112 B C S < S- 0 0 17 -3,-1.6 5,-0.1 -4,-0.2 -3,-0.0 -0.516 74.9 -96.4 -80.9 140.1 75.6 20.3 32.6 334 113 B P >> - 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0 0 42 -4,-2.3 3,-1.5 -5,-0.1 4,-0.4 -0.573 51.9-157.4-175.0 104.2 96.1 10.2 67.0 837 172 D S T 3 S+ 0 0 86 -4,-0.3 4,-0.4 1,-0.3 3,-0.3 0.667 89.7 67.0 -61.5 -20.5 97.1 8.4 63.8 838 173 D S T > S+ 0 0 67 1,-0.2 3,-0.8 2,-0.1 4,-0.4 0.742 81.0 77.7 -75.0 -23.4 96.6 5.0 65.4 839 174 D L G X S+ 0 0 14 -3,-1.5 3,-0.7 1,-0.2 -1,-0.2 0.888 94.8 45.2 -53.9 -44.8 92.8 5.4 65.8 840 175 D I G > S+ 0 0 28 -4,-0.4 3,-2.6 -3,-0.3 7,-0.3 0.658 87.6 92.3 -76.3 -16.4 91.9 4.6 62.1 841 176 D S G < S+ 0 0 65 -3,-0.8 -1,-0.2 -4,-0.4 -2,-0.1 0.742 84.0 50.8 -49.2 -35.4 94.3 1.7 61.8 842 177 D S G < S+ 0 0 83 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.1 0.405 100.5 71.4 -85.8 1.9 91.6 -0.9 62.8 843 178 D F <> + 0 0 20 -3,-2.6 4,-1.9 1,-0.2 -1,-0.2 -0.756 55.0 168.6-122.5 82.0 89.2 0.5 60.2 844 179 D P H > S+ 0 0 72 0, 0.0 4,-3.0 0, 0.0 -1,-0.2 0.860 76.7 54.1 -61.2 -41.2 90.5 -0.4 56.8 845 180 D L H > S+ 0 0 61 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.860 109.7 48.3 -65.8 -33.2 87.4 0.6 54.9 846 181 D L H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.906 110.9 50.9 -72.2 -39.1 87.6 4.1 56.4 847 182 D K H X S+ 0 0 89 -4,-1.9 4,-2.1 -7,-0.3 -2,-0.2 0.956 110.5 50.4 -60.4 -46.3 91.3 4.2 55.5 848 183 D A H X S+ 0 0 36 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.918 109.6 49.0 -57.4 -47.5 90.3 3.2 52.0 849 184 D L H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 5,-0.4 0.892 107.3 56.7 -61.3 -37.8 87.7 5.9 51.7 850 185 D K H X S+ 0 0 27 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.932 112.8 40.1 -59.2 -45.8 90.1 8.5 53.0 851 186 D T H X S+ 0 0 83 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.948 115.2 51.6 -65.7 -54.7 92.6 7.7 50.2 852 187 D R H >< S+ 0 0 63 -4,-2.8 3,-0.9 1,-0.2 4,-0.3 0.932 114.9 40.0 -50.0 -56.4 89.9 7.3 47.5 853 188 D I H >< S+ 0 0 0 -4,-2.8 3,-1.4 1,-0.3 7,-0.3 0.853 110.8 60.3 -66.5 -31.3 88.2 10.7 48.3 854 189 D S H 3< S+ 0 0 12 -4,-1.6 -1,-0.3 -5,-0.4 -2,-0.2 0.742 101.9 54.8 -67.6 -20.9 91.6 12.3 48.8 855 190 D N T << S+ 0 0 94 -4,-1.3 -1,-0.3 -3,-0.9 -2,-0.2 0.476 75.8 114.9 -90.9 -5.5 92.5 11.4 45.2 856 191 D L S <> S- 0 0 34 -3,-1.4 4,-2.9 -4,-0.3 5,-0.3 -0.474 78.0-121.3 -62.4 135.1 89.4 13.1 43.6 857 192 D P H > S+ 0 0 107 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.861 109.3 45.9 -47.9 -41.5 90.9 15.9 41.5 858 193 D T H > S+ 0 0 51 2,-0.2 4,-0.9 -168,-0.2 -167,-0.1 0.876 116.8 42.6 -70.6 -42.1 89.0 18.6 43.4 859 194 D V H >> S+ 0 0 1 -6,-0.2 4,-2.3 -3,-0.2 3,-1.6 0.971 111.0 56.0 -68.2 -50.6 89.7 17.4 46.8 860 195 D K H 3X S+ 0 0 98 -4,-2.9 4,-1.0 1,-0.3 -2,-0.2 0.790 107.0 51.3 -50.2 -34.2 93.4 16.6 46.0 861 196 D K H 3< S+ 0 0 154 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.772 108.1 50.8 -75.2 -29.6 93.8 20.2 44.9 862 197 D F H << S+ 0 0 7 -3,-1.6 7,-0.4 -4,-0.9 -2,-0.2 0.839 108.1 54.4 -75.1 -35.4 92.3 21.5 48.2 863 198 D L H < S+ 0 0 30 -4,-2.3 -2,-0.2 -9,-0.2 -1,-0.2 0.785 92.7 91.4 -70.3 -27.0 94.7 19.3 50.1 864 199 D Q S >< S- 0 0 102 -4,-1.0 3,-1.3 -5,-0.2 5,-0.2 -0.190 92.2 -81.4 -66.9 160.2 97.8 20.7 48.3 865 200 D P T 3 S+ 0 0 130 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.230 112.5 29.2 -60.9 149.0 99.8 23.7 49.7 866 201 D G T 3 S+ 0 0 88 1,-0.3 -2,-0.1 3,-0.1 -3,-0.1 0.331 87.1 124.0 84.9 -9.7 98.4 27.2 49.0 867 202 D S S < S- 0 0 27 -3,-1.3 -1,-0.3 -5,-0.2 -5,-0.1 -0.343 80.6-100.2 -76.6 168.7 94.7 26.1 48.9 868 203 D P S S+ 0 0 50 0, 0.0 -1,-0.1 0, 0.0 -6,-0.1 0.501 81.1 128.1 -72.3 4.7 92.2 27.8 51.2 869 204 D R - 0 0 78 -7,-0.4 -3,-0.1 -5,-0.2 -191,-0.0 -0.248 56.3-131.6 -57.5 143.2 92.4 24.9 53.6 870 205 D K - 0 0 15 -193,-0.1 -1,-0.1 1,-0.1 3,-0.1 -0.735 10.1-116.9-105.8 153.7 93.1 26.1 57.1 871 206 D P - 0 0 83 0, 0.0 -193,-0.5 0, 0.0 3,-0.1 -0.395 42.3 -85.1 -81.8 160.3 95.7 24.9 59.6 872 207 D P - 0 0 76 0, 0.0 2,-0.1 0, 0.0 -41,-0.0 -0.352 57.2-101.1 -63.5 146.1 94.9 23.5 63.0 873 208 D M - 0 0 67 -3,-0.1 2,-0.2 4,-0.1 -196,-0.0 -0.416 42.2-173.4 -72.2 145.8 94.4 26.2 65.6 874 209 D D > - 0 0 73 -2,-0.1 4,-1.3 -3,-0.1 5,-0.1 -0.536 41.7 -85.4-120.5-164.7 97.2 27.1 68.0 875 210 D E H > S+ 0 0 158 -2,-0.2 4,-1.7 2,-0.2 5,-0.2 0.915 119.3 55.6 -75.7 -43.6 97.5 29.4 71.0 876 211 D K H > S+ 0 0 166 1,-0.2 4,-1.5 2,-0.2 3,-0.2 0.930 112.9 39.2 -55.4 -52.1 98.4 32.6 69.1 877 212 D S H > S+ 0 0 28 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.815 110.4 59.7 -70.1 -32.1 95.3 32.6 66.9 878 213 D L H X S+ 0 0 25 -4,-1.3 4,-2.3 1,-0.2 -1,-0.2 0.836 105.1 50.3 -65.5 -33.3 92.9 31.4 69.6 879 214 D E H X S+ 0 0 111 -4,-1.7 4,-0.6 -3,-0.2 -1,-0.2 0.915 110.3 48.5 -71.3 -42.5 93.8 34.5 71.6 880 215 D E H X S+ 0 0 73 -4,-1.5 4,-1.8 -5,-0.2 -2,-0.2 0.900 115.0 46.8 -62.6 -42.1 93.1 36.8 68.7 881 216 D A H X>S+ 0 0 3 -4,-2.3 4,-2.9 1,-0.2 5,-0.7 0.966 108.2 50.0 -66.3 -58.4 89.8 35.1 68.0 882 217 D R H <>S+ 0 0 60 -4,-2.3 5,-0.9 1,-0.2 -1,-0.2 0.641 109.7 58.9 -59.3 -11.3 88.3 34.9 71.5 883 218 D K H <5S+ 0 0 137 -4,-0.6 -2,-0.2 3,-0.2 -1,-0.2 0.967 113.4 32.5 -76.0 -63.5 89.2 38.6 71.6 884 219 D I H <5S+ 0 0 8 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.1 0.913 132.7 32.0 -58.5 -54.0 87.1 39.7 68.6 885 220 D F T <5S- 0 0 39 -4,-2.9 -1,-0.2 -5,-0.1 -3,-0.2 0.751 103.8-136.0 -79.6 -24.3 84.3 37.1 69.1 886 221 D R T < 0 0 125 -5,-0.7 -3,-0.2 -4,-0.0 -4,-0.1 0.954 360.0 360.0 63.4 92.9 84.6 37.2 72.9 887 222 D F < 0 0 126 -5,-0.9 -4,-0.1 0, 0.0 -5,-0.1 0.209 360.0 360.0-162.2 360.0 84.5 33.6 74.2