==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 24-OCT-11 3UBL . COMPND 2 MOLECULE: GLUTATHIONE TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LEPTOSPIRA INTERROGANS SEROVAR LAI; . AUTHOR Y.PATSKOVSKY,R.TORO,R.BHOSLE,W.D.ZENCHECK,B.HILLERICH,R.D.SE . 419 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18742.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 314 74.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 19 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 190 45.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.6 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 3 0 0 0 1 2 0 2 1 1 0 1 2 3 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 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 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 0 A V 0 0 94 0, 0.0 28,-0.1 0, 0.0 27,-0.1 0.000 360.0 360.0 360.0 131.9 49.5 47.0 13.3 2 1 A M + 0 0 125 1,-0.1 54,-0.6 53,-0.1 2,-0.5 0.904 360.0 46.8 -63.4 -47.9 47.5 45.0 15.9 3 2 A I E -aB 28 55A 3 24,-0.8 26,-1.8 52,-0.1 2,-0.5 -0.866 59.8-174.3-107.9 127.2 49.4 41.7 15.9 4 3 A K E -aB 29 54A 68 50,-2.3 50,-3.0 -2,-0.5 2,-0.7 -0.982 8.2-160.8-116.3 126.5 53.2 41.4 16.1 5 4 A L E -aB 30 53A 0 24,-2.7 26,-2.7 -2,-0.5 2,-0.5 -0.922 10.2-155.6-105.7 111.6 54.8 37.9 15.8 6 5 A H E +aB 31 52A 22 46,-3.2 46,-1.7 -2,-0.7 26,-0.2 -0.788 51.8 72.8 -90.1 122.2 58.4 37.9 17.2 7 6 A G S S- 0 0 0 24,-2.7 27,-0.2 -2,-0.5 2,-0.1 -0.373 76.0 -94.4 143.3 139.0 60.6 35.2 15.8 8 7 A A > - 0 0 11 25,-1.3 3,-1.8 -2,-0.1 6,-0.2 -0.344 35.3-112.2 -77.8 156.7 62.4 34.4 12.6 9 8 A S T 3 S+ 0 0 8 1,-0.3 -1,-0.1 193,-0.2 194,-0.1 0.467 107.8 72.6 -70.5 -2.5 61.0 32.2 9.8 10 9 A I T 3 S+ 0 0 79 192,-0.1 2,-0.6 196,-0.1 -1,-0.3 0.630 77.1 93.5 -84.0 -13.4 63.5 29.4 10.3 11 10 A S <> - 0 0 20 -3,-1.8 4,-2.6 1,-0.2 5,-0.2 -0.692 65.5-154.6 -82.0 121.1 61.8 28.4 13.6 12 11 A N H > S+ 0 0 9 -2,-0.6 4,-1.8 1,-0.2 -1,-0.2 0.819 97.6 53.2 -63.2 -29.5 59.2 25.7 13.1 13 12 A Y H > S+ 0 0 37 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.870 108.7 49.3 -74.4 -36.0 57.4 26.9 16.2 14 13 A V H > S+ 0 0 0 -6,-0.2 4,-2.3 1,-0.2 3,-0.2 0.955 111.5 50.0 -59.5 -48.8 57.2 30.4 14.7 15 14 A N H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.829 102.6 60.6 -62.5 -33.2 56.0 28.9 11.5 16 15 A K H X S+ 0 0 3 -4,-1.8 4,-1.1 1,-0.2 -1,-0.2 0.951 110.5 41.0 -57.8 -48.3 53.3 26.9 13.3 17 16 A V H X S+ 0 0 0 -4,-1.4 4,-2.3 -3,-0.2 3,-0.4 0.920 111.9 56.2 -64.2 -42.3 51.8 30.2 14.6 18 17 A K H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.3 5,-0.2 0.871 102.2 56.2 -61.0 -40.5 52.3 32.0 11.3 19 18 A L H X S+ 0 0 2 -4,-2.4 4,-2.2 2,-0.2 -1,-0.3 0.870 108.6 47.4 -57.6 -41.4 50.3 29.3 9.4 20 19 A G H X S+ 0 0 1 -4,-1.1 4,-1.6 -3,-0.4 -2,-0.2 0.909 112.7 48.6 -69.0 -42.8 47.3 29.9 11.7 21 20 A I H X>S+ 0 0 0 -4,-2.3 5,-2.1 1,-0.2 4,-0.7 0.942 114.4 45.2 -60.7 -49.6 47.6 33.7 11.3 22 21 A L H ><5S+ 0 0 38 -4,-3.0 3,-1.1 1,-0.2 -2,-0.2 0.909 108.9 55.2 -62.1 -44.4 47.8 33.5 7.5 23 22 A E H 3<5S+ 0 0 48 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.855 110.3 46.0 -63.1 -33.9 44.9 30.9 7.2 24 23 A K H 3<5S- 0 0 19 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.593 111.7-123.6 -76.9 -15.2 42.5 33.3 9.1 25 24 A G T <<5 + 0 0 61 -3,-1.1 -3,-0.2 -4,-0.7 2,-0.2 0.793 50.8 165.5 72.0 30.5 43.7 36.2 7.0 26 25 A L < - 0 0 20 -5,-2.1 2,-0.4 -6,-0.2 -1,-0.2 -0.491 37.9-118.7 -75.8 149.3 44.8 38.3 10.0 27 26 A E + 0 0 161 -2,-0.2 -24,-0.8 2,-0.0 2,-0.3 -0.740 50.9 140.5 -86.8 131.7 47.0 41.4 9.6 28 27 A Y E -a 3 0A 46 -2,-0.4 2,-0.4 -26,-0.1 -24,-0.2 -0.962 42.7-128.8-156.9 169.7 50.3 41.2 11.4 29 28 A E E -a 4 0A 106 -26,-1.8 -24,-2.7 -2,-0.3 2,-0.5 -0.995 19.6-138.7-126.3 138.2 54.0 42.0 11.2 30 29 A Q E -a 5 0A 42 -2,-0.4 2,-0.7 -26,-0.2 -24,-0.2 -0.850 10.6-156.2 -94.6 127.3 56.8 39.5 11.8 31 30 A I E -a 6 0A 56 -26,-2.7 -24,-2.7 -2,-0.5 2,-0.8 -0.908 15.7-140.2-105.5 107.8 59.7 40.8 13.8 32 31 A R + 0 0 161 -2,-0.7 2,-0.3 -26,-0.2 -26,-0.1 -0.557 41.4 145.2 -74.9 106.9 62.7 38.7 13.1 33 32 A I - 0 0 53 -2,-0.8 -25,-1.3 3,-0.0 3,-0.1 -0.903 41.8-124.7-131.0 167.0 64.7 38.1 16.2 34 33 A A - 0 0 71 -2,-0.3 -27,-0.0 1,-0.2 15,-0.0 -0.707 41.5 -87.2-101.2 159.7 66.7 35.2 17.6 35 34 A P + 0 0 80 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.136 55.9 175.6 -55.2 169.4 66.2 33.5 20.9 36 35 A S - 0 0 47 12,-1.2 -3,-0.0 -3,-0.1 0, 0.0 -0.898 41.9-145.4-179.1 143.0 68.0 35.2 23.8 37 36 A Q + 0 0 94 -2,-0.3 2,-0.2 4,-0.1 11,-0.1 0.211 54.1 135.8-101.7 13.9 68.6 35.2 27.6 38 37 A E >> - 0 0 112 1,-0.2 4,-2.2 10,-0.1 3,-1.7 -0.451 66.6-121.3 -63.3 130.5 69.0 39.0 27.9 39 38 A E H 3> S+ 0 0 81 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.794 111.4 59.7 -43.1 -35.1 67.0 40.1 30.9 40 39 A D H 34 S+ 0 0 121 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.868 109.6 40.0 -67.0 -39.1 65.0 42.4 28.6 41 40 A F H X> S+ 0 0 22 -3,-1.7 4,-2.4 1,-0.2 3,-2.0 0.899 108.9 60.4 -74.5 -43.0 63.7 39.5 26.4 42 41 A L H 3< S+ 0 0 20 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.782 94.5 66.8 -55.4 -28.7 63.2 37.2 29.4 43 42 A K T 3< S+ 0 0 143 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.788 116.0 25.0 -62.7 -28.9 60.7 39.9 30.7 44 43 A I T <4 S+ 0 0 40 -3,-2.0 -2,-0.2 -4,-0.3 -1,-0.2 0.603 137.2 31.7-108.7 -18.0 58.4 39.1 27.7 45 44 A S S >< S- 0 0 0 -4,-2.4 3,-3.4 1,-0.1 -1,-0.2 -0.687 70.7-165.4-145.0 81.8 59.5 35.5 27.1 46 45 A P T 3 S+ 0 0 8 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.693 89.4 43.8 -43.2 -39.7 60.6 33.9 30.3 47 46 A M T 3 S- 0 0 11 295,-0.1 3,-0.1 2,-0.1 -5,-0.1 0.370 112.4-115.4 -88.2 2.4 62.4 30.9 28.7 48 47 A G < + 0 0 2 -3,-3.4 -12,-1.2 1,-0.2 2,-0.2 0.797 69.8 141.8 67.0 28.3 64.1 33.1 26.1 49 48 A K - 0 0 86 -14,-0.2 -1,-0.2 -4,-0.1 -2,-0.1 -0.611 43.4-106.4-101.2 160.1 62.1 31.4 23.3 50 49 A I S S+ 0 0 24 -2,-0.2 -36,-0.2 -3,-0.1 -37,-0.2 -0.935 79.7 62.8-118.0 150.3 60.4 32.4 20.1 51 50 A P + 0 0 6 0, 0.0 11,-1.2 0, 0.0 2,-0.4 0.403 57.6 169.6 -82.2 156.3 57.6 32.7 19.1 52 51 A V E -BC 6 61A 0 -46,-1.7 -46,-3.2 9,-0.2 2,-0.5 -1.000 22.1-147.1-126.1 132.4 56.2 35.5 21.2 53 52 A L E -BC 5 60A 1 7,-3.6 7,-2.9 -2,-0.4 2,-0.5 -0.836 11.2-162.1 -96.9 130.5 52.9 37.1 20.2 54 53 A E E +BC 4 59A 46 -50,-3.0 -50,-2.3 -2,-0.5 2,-0.3 -0.949 20.7 155.1-112.1 128.6 52.6 40.8 21.0 55 54 A M E > -BC 3 58A 20 3,-3.3 3,-2.1 -2,-0.5 -52,-0.1 -0.933 65.4 -6.0-153.2 131.2 49.1 42.3 21.2 56 55 A D T 3 S- 0 0 84 -54,-0.6 3,-0.1 -2,-0.3 -53,-0.1 0.851 127.4 -56.6 58.9 37.6 47.7 45.4 23.0 57 56 A G T 3 S+ 0 0 57 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.384 118.8 112.4 73.9 -3.9 51.0 45.9 24.8 58 57 A K E < -C 55 0A 106 -3,-2.1 -3,-3.3 2,-0.0 2,-0.4 -0.775 56.2-145.3-104.1 148.9 50.7 42.3 26.1 59 58 A F E -C 54 0A 70 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.934 9.2-168.8-119.0 132.1 52.9 39.3 25.3 60 59 A I E -C 53 0A 5 -7,-2.9 -7,-3.6 -2,-0.4 2,-0.3 -0.974 10.1-167.4-117.7 129.6 52.0 35.7 24.9 61 60 A F E +C 52 0A 8 -2,-0.5 -9,-0.2 -9,-0.2 4,-0.1 -0.827 48.5 60.2-116.8 152.6 54.7 33.1 24.7 62 61 A E S > S- 0 0 27 -11,-1.2 4,-2.5 -2,-0.3 5,-0.2 0.506 73.5-120.9 97.3 121.1 54.4 29.4 23.7 63 62 A S H > S+ 0 0 4 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.853 110.5 51.5 -61.3 -38.4 53.0 28.5 20.3 64 63 A G H > S+ 0 0 24 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.948 111.4 44.6 -66.0 -51.6 50.2 26.5 21.7 65 64 A A H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.894 114.0 53.5 -58.1 -42.0 48.9 29.2 24.1 66 65 A I H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.944 110.9 43.1 -58.2 -51.9 49.3 31.7 21.2 67 66 A L H X S+ 0 0 1 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.858 114.1 50.9 -67.0 -36.0 47.2 29.8 18.7 68 67 A E H X S+ 0 0 15 -4,-2.2 4,-1.4 -5,-0.2 -1,-0.2 0.877 112.5 48.6 -65.1 -40.0 44.5 28.9 21.3 69 68 A F H X S+ 0 0 2 -4,-2.2 4,-2.8 -5,-0.2 5,-0.3 0.958 111.7 47.0 -64.1 -51.1 44.4 32.6 22.2 70 69 A L H X S+ 0 0 2 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.895 111.5 51.7 -59.0 -41.3 44.1 33.8 18.5 71 70 A D H < S+ 0 0 3 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.836 111.5 48.9 -65.0 -31.8 41.4 31.2 17.8 72 71 A T H < S+ 0 0 75 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.961 120.2 33.4 -70.9 -53.8 39.5 32.4 20.8 73 72 A I H < S+ 0 0 46 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.790 128.2 39.1 -75.5 -26.8 39.6 36.2 20.1 74 73 A F < + 0 0 36 -4,-2.8 -1,-0.3 -5,-0.3 -2,-0.1 -0.643 66.6 165.3-120.9 74.3 39.5 35.7 16.2 75 74 A P + 0 0 69 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.516 32.2 125.7 -75.6 0.5 37.0 32.9 15.7 76 75 A Q - 0 0 87 1,-0.1 -2,-0.1 -3,-0.1 -3,-0.0 -0.120 67.7 -30.6 -53.1 157.2 36.7 33.6 12.0 77 76 A T S S+ 0 0 118 2,-0.1 -1,-0.1 3,-0.0 2,-0.1 -0.161 118.4 45.4 -61.2 144.1 37.3 30.7 9.7 78 77 A P S S- 0 0 21 0, 0.0 2,-0.8 0, 0.0 3,-0.1 0.558 75.5-147.6 -85.9 151.0 39.0 28.4 10.0 79 78 A K - 0 0 59 1,-0.2 72,-0.2 -2,-0.1 -2,-0.1 -0.685 5.5-161.1 -74.0 110.2 38.3 27.4 13.6 80 79 A L S S+ 0 0 1 -2,-0.8 71,-2.5 1,-0.2 72,-0.3 0.836 86.6 46.2 -65.9 -30.3 41.6 26.0 14.7 81 80 A I S S- 0 0 22 69,-0.2 -1,-0.2 70,-0.1 7,-0.1 -0.947 98.2-129.0-109.2 109.5 39.8 24.3 17.5 82 81 A P - 0 0 29 0, 0.0 6,-0.2 0, 0.0 -2,-0.1 -0.165 9.6-128.1 -56.3 151.2 36.7 22.6 16.2 83 82 A E S S+ 0 0 168 4,-0.1 3,-0.0 5,-0.1 -2,-0.0 0.837 92.1 84.8 -72.0 -33.3 33.4 23.3 17.9 84 83 A D S > S- 0 0 80 1,-0.2 4,-2.2 2,-0.1 5,-0.1 -0.609 78.0-145.7 -69.0 124.9 32.7 19.5 18.2 85 84 A P H > S+ 0 0 27 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.828 95.3 52.3 -68.0 -33.4 34.6 18.6 21.5 86 85 A W H > S+ 0 0 53 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.915 111.8 46.1 -65.3 -44.2 35.5 15.1 20.3 87 86 A E H > S+ 0 0 64 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.890 110.2 55.3 -67.5 -34.1 37.0 16.5 17.1 88 87 A A H X S+ 0 0 1 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.915 106.6 50.5 -60.7 -43.7 38.8 19.2 19.2 89 88 A A H X S+ 0 0 2 -4,-2.0 4,-3.0 2,-0.2 -1,-0.2 0.927 109.4 50.0 -61.0 -46.0 40.4 16.4 21.3 90 89 A R H X S+ 0 0 65 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.919 110.8 50.6 -58.7 -44.8 41.6 14.6 18.1 91 90 A V H X S+ 0 0 1 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.930 112.6 45.7 -58.3 -47.6 43.0 17.9 16.8 92 91 A R H X S+ 0 0 20 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.888 112.0 52.4 -65.2 -37.2 44.8 18.5 20.2 93 92 A E H X S+ 0 0 11 -4,-3.0 4,-3.0 2,-0.2 5,-0.2 0.953 108.4 50.1 -60.2 -48.9 46.1 14.8 20.2 94 93 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.923 112.4 47.0 -57.1 -47.5 47.5 15.1 16.8 95 94 A S H X S+ 0 0 6 -4,-1.9 4,-2.3 2,-0.2 5,-0.3 0.882 112.0 49.2 -64.9 -43.2 49.4 18.2 17.5 96 95 A T H X>S+ 0 0 36 -4,-2.3 4,-3.4 2,-0.2 5,-0.7 0.936 110.8 50.7 -60.8 -46.1 50.8 17.0 20.8 97 96 A I H X>S+ 0 0 0 -4,-3.0 4,-1.7 1,-0.2 5,-0.7 0.953 112.0 48.0 -57.8 -47.6 52.0 13.7 19.2 98 97 A I H X>S+ 0 0 0 -4,-2.4 5,-2.1 -5,-0.2 4,-0.5 0.918 121.8 33.4 -59.6 -46.1 53.8 15.7 16.5 99 98 A E H <>S+ 0 0 32 -4,-2.3 5,-1.3 3,-0.2 -2,-0.2 0.918 128.2 33.1 -77.9 -45.2 55.5 18.1 18.8 100 99 A T H <5S+ 0 0 59 -4,-3.4 -3,-0.2 -5,-0.3 -2,-0.2 0.902 128.6 29.8 -84.6 -40.9 56.1 16.0 21.8 101 100 A Y H <4 S+ 0 0 17 0, 0.0 3,-2.3 0, 0.0 4,-0.4 0.969 113.6 52.4 -55.8 -57.5 63.2 13.4 19.9 106 105 A A H >X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.3 3,-1.6 0.757 98.1 65.9 -53.5 -30.1 64.3 14.5 16.4 107 106 A R H 3X S+ 0 0 71 -4,-1.9 4,-1.0 1,-0.3 -1,-0.3 0.726 87.0 69.2 -68.1 -20.5 65.8 17.7 17.8 108 107 A R H <4 S+ 0 0 120 -3,-2.3 6,-0.5 -4,-0.5 -1,-0.3 0.735 114.3 29.4 -66.3 -21.9 68.3 15.5 19.6 109 108 A I H <4 S+ 0 0 16 -3,-1.6 -2,-0.2 -4,-0.4 -3,-0.1 0.856 120.8 42.4 -96.0 -72.1 69.6 14.8 16.1 110 109 A Y H < 0 0 41 -4,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.478 360.0 360.0 -69.4 -2.8 69.0 17.7 13.7 111 110 A L < 0 0 135 -4,-1.0 -1,-0.2 -5,-0.3 -3,-0.1 0.900 360.0 360.0 -87.6 360.0 70.0 20.4 16.2 112 ! 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 0.0 113 113 A A 0 0 141 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 0.000 360.0 360.0 360.0 176.1 74.8 17.5 21.1 114 114 A K - 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0 0 67 1,-0.2 67,-0.2 65,-0.1 -2,-0.1 -0.743 7.2-158.2 -82.1 112.9 36.4 26.8 34.5 294 79 B L S S+ 0 0 0 -2,-0.8 66,-2.6 65,-0.2 67,-0.4 0.841 89.0 45.9 -61.6 -33.4 39.7 25.1 33.9 295 80 B I S S- 0 0 18 64,-0.2 -1,-0.2 65,-0.1 7,-0.1 -0.952 99.9-123.5-108.7 113.6 40.2 27.6 31.0 296 81 B P - 0 0 27 0, 0.0 6,-0.1 0, 0.0 -2,-0.1 -0.136 8.0-129.1 -52.4 149.7 39.3 31.2 32.1 297 82 B E S S+ 0 0 148 -4,-0.1 3,-0.0 4,-0.1 -2,-0.0 0.849 94.0 83.1 -64.5 -37.6 36.7 33.2 30.2 298 83 B D S > S- 0 0 77 1,-0.2 4,-2.4 2,-0.1 3,-0.2 -0.597 79.0-146.8 -68.6 117.7 39.2 36.1 29.9 299 84 B P H > S+ 0 0 29 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.793 95.3 50.7 -65.2 -28.4 41.4 35.1 27.0 300 85 B W H > S+ 0 0 80 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.881 111.7 47.9 -71.3 -38.3 44.6 36.7 28.4 301 86 B E H > S+ 0 0 52 -3,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.866 109.4 54.1 -69.0 -34.4 44.1 34.9 31.7 302 87 B A H X S+ 0 0 5 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.879 106.9 50.9 -66.7 -35.4 43.5 31.7 29.7 303 88 B A H X S+ 0 0 2 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.885 108.2 52.6 -68.2 -39.2 46.8 32.2 27.9 304 89 B R H X S+ 0 0 49 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.917 108.6 50.6 -58.4 -46.4 48.5 32.6 31.2 305 90 B V H X S+ 0 0 1 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.907 112.3 45.1 -58.4 -45.4 47.0 29.3 32.4 306 91 B R H X S+ 0 0 24 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.885 112.3 53.3 -70.5 -34.9 48.2 27.4 29.3 307 92 B E H X S+ 0 0 10 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.936 109.3 47.8 -61.2 -50.4 51.6 29.1 29.6 308 93 B I H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.923 112.7 48.7 -58.0 -45.6 52.0 28.0 33.2 309 94 B S H X S+ 0 0 7 -4,-2.1 4,-1.8 1,-0.2 5,-0.2 0.910 112.6 48.0 -64.0 -41.2 51.0 24.4 32.5 310 95 B T H X>S+ 0 0 39 -4,-2.2 4,-2.9 2,-0.2 5,-0.6 0.901 110.8 50.4 -68.3 -40.9 53.3 24.1 29.5 311 96 B I H X>S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 5,-0.7 0.932 110.6 50.2 -60.7 -46.2 56.3 25.5 31.4 312 97 B I H <>S+ 0 0 0 -4,-2.2 5,-2.5 -5,-0.2 4,-0.5 0.892 120.5 34.1 -60.1 -39.8 55.8 23.1 34.2 313 98 B E H <>S+ 0 0 30 -4,-1.8 5,-2.0 3,-0.2 -2,-0.2 0.900 127.4 33.0 -87.4 -45.2 55.5 20.0 32.0 314 99 B T H <5S+ 0 0 53 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.870 129.9 29.9 -81.7 -38.5 57.9 20.8 29.2 315 100 B Y T <44 S+ 0 0 19 0, 0.0 3,-1.8 0, 0.0 -1,-0.2 0.889 112.0 56.7 -56.9 -41.5 64.2 17.6 32.2 320 105 B A H >< S+ 0 0 0 -4,-1.8 3,-1.5 1,-0.3 -2,-0.2 0.790 94.2 68.4 -61.0 -28.3 63.6 16.3 35.8 321 106 B R G X< S+ 0 0 93 -4,-1.9 3,-0.7 -3,-0.8 -1,-0.3 0.605 79.3 77.6 -71.6 -9.8 62.7 12.9 34.3 322 107 B R G < S+ 0 0 154 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.419 100.8 43.6 -72.4 2.2 66.3 12.5 33.3 323 108 B I G < 0 0 28 -3,-1.5 -1,-0.2 9,-0.0 -2,-0.2 0.409 360.0 360.0-126.6 -2.8 66.8 11.7 37.0 324 109 B Y < 0 0 98 -3,-0.7 -3,-0.0 -4,-0.2 51,-0.0 -0.707 360.0 360.0-162.2 360.0 63.9 9.4 37.8 325 ! 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 0.0 326 117 B P 0 0 159 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-177.4 75.1 9.2 35.2 327 118 B E > + 0 0 138 1,-0.1 3,-1.1 2,-0.1 4,-0.2 0.119 360.0 115.3-114.6 17.9 76.4 12.4 36.7 328 119 B I T >> + 0 0 73 1,-0.3 4,-2.1 2,-0.1 3,-0.7 0.472 43.0 106.6 -65.6 -1.2 74.3 14.8 34.5 329 120 B V H 3> S+ 0 0 40 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.686 74.9 54.2 -53.2 -21.1 72.7 15.9 37.7 330 121 B E H <> S+ 0 0 109 -3,-1.1 4,-1.1 2,-0.2 -1,-0.2 0.858 107.3 45.6 -86.1 -38.2 74.5 19.2 37.5 331 122 B E H <> S+ 0 0 127 -3,-0.7 4,-1.4 -4,-0.2 -2,-0.2 0.804 114.7 52.2 -71.1 -29.0 73.5 20.2 34.0 332 123 B V H X S+ 0 0 8 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.908 103.1 56.3 -71.1 -43.8 69.9 19.2 35.1 333 124 B H H X S+ 0 0 23 -4,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.832 107.9 49.4 -58.5 -33.2 70.0 21.3 38.2 334 125 B S H X S+ 0 0 58 -4,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.898 107.2 53.7 -74.2 -38.8 70.8 24.4 36.0 335 126 B T H X S+ 0 0 48 -4,-1.4 4,-2.6 1,-0.2 -2,-0.2 0.914 110.5 48.2 -59.6 -41.4 68.0 23.6 33.6 336 127 B L H X S+ 0 0 4 -4,-2.2 4,-3.1 2,-0.2 5,-0.2 0.872 107.8 52.6 -68.2 -40.6 65.5 23.5 36.5 337 128 B V H X S+ 0 0 22 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.895 112.6 48.0 -61.2 -38.3 66.8 26.8 38.1 338 129 B K H X S+ 0 0 87 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.945 114.2 44.1 -65.0 -50.9 66.2 28.4 34.7 339 130 B G H X S+ 0 0 0 -4,-2.6 4,-2.4 -24,-0.3 -2,-0.2 0.895 114.0 51.3 -61.8 -41.1 62.7 26.9 34.2 340 131 B I H X S+ 0 0 4 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.886 108.2 52.0 -63.3 -40.7 61.9 27.8 37.8 341 132 B K H < S+ 0 0 128 -4,-2.1 4,-0.5 -5,-0.2 -1,-0.2 0.853 110.9 47.5 -65.3 -35.2 63.0 31.4 37.2 342 133 B A H >< S+ 0 0 1 -4,-1.9 3,-1.1 2,-0.2 4,-0.3 0.895 108.5 54.2 -70.8 -41.5 60.8 31.7 34.1 343 134 B L H >X S+ 0 0 0 -4,-2.4 3,-2.5 1,-0.3 4,-1.7 0.915 97.5 65.8 -58.3 -42.1 57.8 30.2 35.9 344 135 B Q T 3< S+ 0 0 67 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.782 94.1 61.5 -49.4 -31.2 58.2 32.8 38.6 345 136 B R T <4 S+ 0 0 88 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.645 112.5 32.0 -74.5 -17.1 57.3 35.5 36.0 346 137 B V T <4 S+ 0 0 9 -3,-2.5 -2,-0.2 -4,-0.3 -1,-0.2 0.644 95.2 93.0-116.7 -20.0 53.8 34.2 35.3 347 138 B V < - 0 0 16 -4,-1.7 7,-0.2 1,-0.1 6,-0.1 -0.445 40.9-178.9 -75.7 147.6 52.5 32.7 38.5 348 139 B R - 0 0 94 5,-2.6 6,-0.2 4,-0.2 5,-0.2 0.662 13.7-160.8-111.1 -32.4 50.4 34.7 40.9 349 140 B F + 0 0 32 4,-1.1 4,-0.2 3,-0.5 3,-0.2 0.938 28.7 159.1 48.2 56.0 49.7 32.2 43.8 350 141 B S S S- 0 0 58 2,-1.6 -1,-0.1 5,-0.8 3,-0.1 -0.274 94.6 -57.2-133.7 56.6 46.8 34.4 44.9 351 142 B P S S+ 0 0 57 0, 0.0 5,-0.2 0, 0.0 48,-0.1 -0.986 139.1 53.9 -93.5 -17.0 46.1 31.8 46.2 352 143 B Y B > S-H 355 0D 35 3,-1.3 -2,-1.6 -3,-0.2 3,-0.9 -0.287 94.4 -99.2 -76.9 164.5 45.9 29.5 43.2 353 144 B I T 3 S+ 0 0 0 1,-0.3 -5,-2.6 -4,-0.2 -4,-1.1 0.837 119.1 27.8 -54.5 -41.6 48.8 29.2 40.8 354 145 B A T 3 S- 0 0 6 3,-0.3 2,-0.3 -7,-0.2 -1,-0.3 0.444 129.8 -63.3 -98.8 -2.4 47.5 31.5 38.0 355 146 B G B < S-H 352 0D 7 -3,-0.9 -3,-1.3 2,-0.1 -5,-0.8 -0.947 86.2 -24.2 156.8-140.0 45.4 33.8 40.2 356 147 B N S S+ 0 0 121 -2,-0.3 2,-0.3 -5,-0.2 -3,-0.1 0.480 110.8 53.8-101.6 -0.6 42.4 33.8 42.4 357 148 B V S S- 0 0 83 -5,-0.1 -3,-0.3 -64,-0.0 2,-0.2 -0.945 89.3 -95.3-131.5 156.7 40.5 30.8 41.1 358 149 B F + 0 0 6 -2,-0.3 2,-0.3 -6,-0.1 -65,-0.1 -0.438 53.7 165.4 -66.2 133.0 41.3 27.1 40.5 359 150 B T >> - 0 0 4 -2,-0.2 3,-1.6 -4,-0.1 4,-0.9 -0.853 55.1 -84.7-137.5 179.8 42.3 26.5 36.8 360 151 B L H >> S+ 0 0 6 -66,-2.6 4,-1.9 1,-0.3 3,-0.5 0.828 122.8 65.4 -54.1 -32.0 43.9 23.9 34.6 361 152 B A H 3> S+ 0 0 0 -67,-0.4 4,-2.8 1,-0.3 -1,-0.3 0.800 96.5 55.9 -66.7 -26.1 47.3 25.3 35.7 362 153 B D H <> S+ 0 0 0 -3,-1.6 4,-2.4 2,-0.2 5,-0.4 0.806 103.1 55.3 -72.0 -30.2 46.5 24.1 39.2 363 154 B C H X S+ 0 0 24 -4,-2.6 3,-0.8 2,-0.2 4,-0.6 0.989 116.6 35.1 -64.8 -52.5 59.8 18.6 45.0 374 165 B E H >< S+ 0 0 56 -4,-2.0 3,-1.1 1,-0.3 -2,-0.2 0.929 116.5 55.2 -66.8 -42.5 59.9 15.3 46.9 375 166 B E H 3< S+ 0 0 61 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.652 112.1 42.9 -65.0 -21.7 61.6 13.4 44.1 376 167 B L H XX S+ 0 0 0 -4,-1.0 4,-1.5 -3,-0.8 3,-1.4 0.416 85.1 88.6-106.9 2.8 64.5 15.9 44.1 377 168 B R T << S+ 0 0 74 -3,-1.1 3,-0.3 -4,-0.6 6,-0.2 0.916 86.7 57.1 -62.9 -41.4 65.2 16.4 47.8 378 169 B P T 34 S+ 0 0 93 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.304 112.9 42.4 -72.4 8.9 67.6 13.4 47.7 379 170 B F T <4 S+ 0 0 88 -3,-1.4 -2,-0.2 1,-0.0 -3,-0.1 0.551 126.6 25.9-124.7 -24.8 69.5 15.2 45.0 380 171 B Y X + 0 0 3 -4,-1.5 4,-1.3 -3,-0.3 -4,-0.1 -0.525 63.9 165.7-141.2 68.7 69.6 18.8 46.2 381 172 B P T 4 S+ 0 0 91 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.924 94.1 7.8 -51.6 -54.3 69.3 18.8 50.0 382 173 B N T 4 S+ 0 0 166 1,-0.1 -5,-0.0 -5,-0.0 -2,-0.0 0.233 131.3 64.8-105.6 10.6 70.4 22.4 50.4 383 174 B N T 4 + 0 0 76 -6,-0.2 -1,-0.1 -3,-0.0 -6,-0.0 0.386 62.4 148.5-116.5 -0.2 70.3 23.0 46.6 384 175 B H >< - 0 0 6 -4,-1.3 3,-1.5 1,-0.1 4,-0.3 -0.155 34.8-157.6 -58.6 119.1 66.6 22.5 45.6 385 176 B P G > S+ 0 0 2 0, 0.0 3,-2.3 0, 0.0 4,-0.4 0.847 92.2 65.4 -59.1 -37.8 65.6 24.7 42.6 386 177 B L G > S+ 0 0 4 1,-0.3 3,-0.8 2,-0.2 6,-0.2 0.700 89.8 67.7 -61.8 -17.8 62.0 24.5 43.6 387 178 B D G < S+ 0 0 58 -3,-1.5 -1,-0.3 1,-0.2 6,-0.1 0.679 90.5 62.2 -74.7 -16.6 63.0 26.5 46.7 388 179 B L G < S+ 0 0 84 -3,-2.3 2,-1.2 -4,-0.3 -1,-0.2 0.656 80.6 97.1 -79.1 -16.0 63.7 29.4 44.4 389 180 B L S X S- 0 0 5 -3,-0.8 3,-1.9 -4,-0.4 4,-0.3 -0.618 76.4-140.6 -79.8 96.3 60.0 29.4 43.5 390 181 B N T 3 S+ 0 0 126 -2,-1.2 -2,-0.1 1,-0.2 -3,-0.0 -0.362 83.0 16.9 -60.6 120.7 58.5 32.1 45.7 391 182 B G T 3> S+ 0 0 20 -2,-0.2 4,-1.8 4,-0.0 -1,-0.2 0.279 90.4 113.2 103.7 -8.8 55.1 31.1 47.0 392 183 B W H <> S+ 0 0 2 -3,-1.9 4,-2.9 -6,-0.2 5,-0.2 0.905 74.5 46.7 -63.1 -49.5 55.4 27.3 46.3 393 184 B K H > S+ 0 0 121 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.921 114.3 47.9 -63.8 -43.9 55.5 25.9 49.8 394 185 B E H > S+ 0 0 156 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.874 112.6 50.1 -62.6 -38.5 52.6 28.0 51.0 395 186 B Y H X S+ 0 0 3 -4,-1.8 4,-3.7 2,-0.2 5,-0.2 0.944 109.2 51.2 -63.4 -49.6 50.6 27.0 47.8 396 187 B F H X S+ 0 0 33 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.924 112.9 45.8 -51.4 -49.9 51.4 23.3 48.4 397 188 B V H X S+ 0 0 88 -4,-2.4 4,-0.6 2,-0.2 -1,-0.2 0.930 114.3 47.8 -62.1 -48.8 50.1 23.6 52.0 398 189 B F H >< S+ 0 0 59 -4,-2.7 3,-1.6 1,-0.2 4,-0.5 0.943 110.6 51.2 -56.7 -50.8 47.0 25.5 50.9 399 190 B M H >< S+ 0 0 0 -4,-3.7 3,-1.9 1,-0.3 7,-0.3 0.918 103.2 60.1 -56.6 -41.0 46.2 23.0 48.1 400 191 B K H 3< S+ 0 0 89 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.654 95.7 62.5 -64.0 -13.4 46.5 20.1 50.6 401 192 B T T << S+ 0 0 107 -3,-1.6 -1,-0.3 -4,-0.6 2,-0.3 0.630 87.4 88.7 -85.2 -13.0 43.6 21.6 52.6 402 193 B K S <> S- 0 0 33 -3,-1.9 4,-2.1 -4,-0.5 5,-0.2 -0.617 84.2-125.6 -84.4 146.4 41.2 21.2 49.7 403 194 B A H > S+ 0 0 89 -2,-0.3 4,-2.3 2,-0.2 5,-0.2 0.908 103.5 48.7 -62.0 -44.8 39.3 17.9 49.4 404 195 B G H > S+ 0 0 9 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.973 115.0 40.8 -61.4 -59.0 40.4 17.1 45.8 405 196 B P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.872 113.7 56.4 -59.7 -32.7 44.1 17.7 46.1 406 197 B A H X S+ 0 0 38 -4,-2.1 4,-2.4 -7,-0.3 -2,-0.2 0.906 109.4 44.8 -64.7 -41.5 44.0 16.0 49.5 407 198 B L H X S+ 0 0 57 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.929 113.4 50.5 -65.6 -45.8 42.5 12.8 48.0 408 199 B V H X S+ 0 0 1 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.937 114.0 45.5 -56.6 -44.8 44.9 12.9 45.1 409 200 B E H X S+ 0 0 26 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.871 111.5 51.6 -69.2 -38.3 47.8 13.3 47.5 410 201 B K H X S+ 0 0 103 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.926 109.1 49.2 -65.2 -45.8 46.5 10.5 49.9 411 202 B D H X S+ 0 0 23 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.898 112.0 49.9 -60.0 -40.8 46.1 7.9 47.1 412 203 B K H X S+ 0 0 6 -4,-1.8 4,-2.1 -5,-0.3 -1,-0.2 0.926 112.4 47.4 -62.4 -43.8 49.6 8.7 45.9 413 204 B Q H X S+ 0 0 67 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.889 110.9 50.4 -67.9 -40.7 51.0 8.3 49.4 414 205 B I H X S+ 0 0 80 -4,-2.8 4,-3.0 2,-0.2 5,-0.2 0.966 111.1 48.9 -58.5 -53.1 49.2 5.1 50.0 415 206 B L H X S+ 0 0 54 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.880 113.5 48.4 -56.2 -38.9 50.5 3.7 46.7 416 207 B K H < S+ 0 0 64 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.905 111.9 46.4 -71.8 -40.7 54.0 4.8 47.7 417 208 B K H >< S+ 0 0 173 -4,-2.9 3,-1.2 1,-0.2 -2,-0.2 0.927 115.6 50.0 -63.8 -41.7 53.9 3.4 51.2 418 209 B I H 3< S+ 0 0 111 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.916 115.5 36.9 -62.9 -55.3 52.6 0.2 49.8 419 210 B L T 3< S+ 0 0 54 -4,-2.5 2,-1.6 -5,-0.2 -1,-0.3 0.127 87.6 132.7 -85.6 24.2 55.0 -0.4 47.0 420 211 B A < + 0 0 64 -3,-1.2 2,-0.3 2,-0.1 -1,-0.1 -0.565 19.6 131.6 -83.9 91.3 57.6 0.9 49.3 421 212 B R 0 0 207 -2,-1.6 -3,-0.0 0, 0.0 -1,-0.0 -0.885 360.0 360.0-140.5 108.5 60.4 -1.6 49.1 422 213 B A 0 0 160 -2,-0.3 -2,-0.1 0, 0.0 0, 0.0 -0.460 360.0 360.0 -72.9 360.0 63.9 -0.3 48.5