==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 28-DEC-06 2OE1 . COMPND 2 MOLECULE: THIOREDOXIN-3; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR R.BAO,Y.R.ZHANG,C.Z.ZHOU,Y.X.CHEN . 212 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10595.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 157 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 13.7 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 0.9 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 . 19 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 32.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 2 0 0 1 3 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 PARALLEL BRIDGES PER LADDER . 0 0 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 -1 A S 0 0 101 0, 0.0 2,-0.3 0, 0.0 48,-0.1 0.000 360.0 360.0 360.0 148.4 -1.5 -47.6 -3.0 2 0 A S >> - 0 0 31 46,-0.1 4,-2.0 1,-0.1 3,-0.7 -0.920 360.0 -76.6-159.6 169.9 1.0 -44.7 -2.5 3 1 A Y T 34 S+ 0 0 16 38,-0.4 -1,-0.1 -2,-0.3 3,-0.0 0.875 127.9 54.1 -45.1 -41.0 4.5 -43.6 -1.5 4 2 A T T 34 S+ 0 0 115 1,-0.2 -1,-0.2 37,-0.1 37,-0.0 0.857 113.7 36.4 -65.7 -37.5 3.3 -44.2 2.1 5 3 A S T <4 S+ 0 0 76 -3,-0.7 -1,-0.2 2,-0.1 -2,-0.2 0.655 87.3 109.4-100.8 -14.5 2.1 -47.8 1.8 6 4 A I S < S- 0 0 14 -4,-2.0 51,-0.1 1,-0.1 52,-0.1 -0.235 82.7 -81.7 -63.5 148.6 4.6 -49.4 -0.7 7 5 A T - 0 0 44 49,-0.4 51,-2.5 1,-0.1 2,-0.6 -0.163 39.2-147.3 -48.6 134.0 7.0 -52.0 0.6 8 6 A K B -a 58 0A 70 49,-0.2 2,-0.3 -3,-0.1 51,-0.2 -0.948 15.6-130.6-108.2 120.3 10.1 -50.7 2.3 9 7 A L + 0 0 1 49,-2.9 51,-0.5 -2,-0.6 3,-0.1 -0.569 33.8 166.5 -73.1 126.8 13.2 -52.9 1.8 10 8 A T + 0 0 86 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.382 59.3 33.4-121.4 -5.7 15.0 -53.5 5.1 11 9 A N S > S- 0 0 70 1,-0.1 4,-2.2 53,-0.1 -1,-0.2 -0.994 71.7-119.4-153.3 161.2 17.4 -56.3 4.2 12 10 A L H > S+ 0 0 38 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.880 111.4 55.8 -66.6 -41.6 19.5 -57.7 1.4 13 11 A T H > S+ 0 0 90 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.930 111.9 44.0 -56.7 -46.9 17.7 -61.0 1.2 14 12 A E H > S+ 0 0 56 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.909 113.8 51.0 -62.0 -48.3 14.3 -59.2 0.6 15 13 A F H X S+ 0 0 6 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.961 113.7 43.8 -52.1 -56.4 15.9 -56.7 -1.9 16 14 A R H X S+ 0 0 105 -4,-3.1 4,-1.6 1,-0.2 -2,-0.2 0.868 116.7 45.0 -61.7 -40.5 17.5 -59.5 -4.0 17 15 A N H X S+ 0 0 60 -4,-2.0 4,-1.8 -5,-0.3 -1,-0.2 0.868 108.8 54.4 -76.2 -36.4 14.5 -61.8 -4.0 18 16 A L H X S+ 0 0 11 -4,-2.5 4,-0.8 -5,-0.2 -1,-0.2 0.838 107.0 53.2 -69.6 -30.0 11.9 -59.1 -4.7 19 17 A I H >< S+ 0 0 15 -4,-1.6 3,-1.1 -5,-0.2 66,-0.4 0.963 110.6 47.1 -60.2 -50.9 14.0 -58.1 -7.8 20 18 A K H 3< S+ 0 0 141 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.783 110.7 53.5 -61.6 -31.6 13.9 -61.8 -9.0 21 19 A Q H 3< S+ 0 0 137 -4,-1.8 2,-0.4 -5,-0.1 -1,-0.3 0.655 98.5 78.0 -79.6 -17.5 10.2 -62.0 -8.4 22 20 A N << - 0 0 28 -3,-1.1 63,-2.4 -4,-0.8 64,-0.2 -0.829 52.7-165.4-113.6 133.1 9.2 -58.9 -10.4 23 21 A D S S+ 0 0 114 -2,-0.4 61,-2.5 1,-0.3 2,-0.3 0.724 91.7 21.6 -77.2 -28.8 8.9 -58.4 -14.2 24 22 A K E S+B 83 0A 55 59,-0.2 31,-2.6 29,-0.1 2,-0.3 -0.956 78.5 172.2-146.2 128.7 8.9 -54.5 -13.7 25 23 A L E -Bc 82 55A 1 57,-2.3 57,-2.7 -2,-0.3 2,-0.4 -0.992 22.6-169.0-145.7 139.7 10.3 -52.7 -10.7 26 24 A V E -Bc 81 56A 0 29,-2.6 31,-2.8 -2,-0.3 2,-0.5 -0.998 11.1-166.3-125.6 122.3 11.1 -49.2 -9.4 27 25 A I E -Bc 80 57A 0 53,-2.4 53,-2.2 -2,-0.4 2,-0.9 -0.969 8.5-154.2-106.7 122.3 13.2 -48.9 -6.2 28 26 A D E -Bc 79 58A 0 29,-2.4 31,-2.7 -2,-0.5 2,-0.6 -0.880 6.8-162.9 -95.5 103.8 13.1 -45.4 -4.6 29 27 A F E +Bc 78 59A 0 49,-2.9 49,-1.8 -2,-0.9 2,-0.3 -0.809 29.8 157.8 -83.6 117.3 16.4 -45.0 -2.6 30 28 A Y E - c 0 60A 8 29,-2.6 31,-2.6 -2,-0.6 2,-0.4 -0.810 41.0-137.5-137.5 169.4 15.7 -42.1 -0.3 31 29 A A > - 0 0 1 -2,-0.3 3,-1.0 29,-0.2 7,-0.2 -0.992 20.5-136.1-131.6 137.8 16.7 -40.3 2.9 32 30 A T T 3 S+ 0 0 64 -2,-0.4 -1,-0.1 1,-0.2 146,-0.1 0.803 105.0 49.7 -62.1 -31.7 14.0 -38.8 5.2 33 31 A W T 3 S+ 0 0 13 -3,-0.0 2,-0.5 4,-0.0 161,-0.4 0.587 89.3 106.3 -81.1 -7.6 15.9 -35.5 5.8 34 32 A C <> - 0 0 0 -3,-1.0 4,-2.0 1,-0.1 3,-0.4 -0.619 57.7-156.2 -91.0 120.4 16.4 -35.0 2.0 35 33 A G H > S+ 0 0 10 159,-2.4 4,-2.6 -2,-0.5 5,-0.1 0.840 92.7 51.8 -64.8 -43.8 14.2 -32.3 0.3 36 34 A P H > S+ 0 0 21 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.827 110.0 52.5 -59.7 -30.3 14.3 -33.7 -3.3 37 35 A C H > S+ 0 0 2 -3,-0.4 4,-0.8 2,-0.2 -2,-0.2 0.950 110.3 46.6 -66.6 -48.0 13.2 -37.1 -1.9 38 36 A K H >< S+ 0 0 99 -4,-2.0 3,-0.9 1,-0.2 -1,-0.2 0.889 110.1 54.4 -59.8 -43.0 10.3 -35.4 -0.1 39 37 A M H 3X S+ 0 0 82 -4,-2.6 4,-0.5 1,-0.2 -1,-0.2 0.852 106.0 53.2 -57.1 -38.9 9.4 -33.5 -3.3 40 38 A M H 3X S+ 0 0 0 -4,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.659 86.9 86.0 -75.8 -14.2 9.3 -36.8 -5.3 41 39 A Q H S+ 0 0 65 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.812 114.3 54.6 -66.6 -29.7 3.5 -37.2 -4.4 43 41 A H H X S+ 0 0 72 -4,-0.5 4,-2.0 2,-0.2 -2,-0.2 0.892 107.8 49.3 -63.6 -43.1 5.0 -37.8 -7.9 44 42 A L H X S+ 0 0 0 -4,-2.4 4,-3.2 2,-0.2 5,-0.2 0.914 107.9 54.0 -62.3 -45.4 5.7 -41.5 -6.9 45 43 A T H X S+ 0 0 33 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.906 109.8 47.8 -55.0 -43.3 2.1 -41.9 -5.6 46 44 A K H X S+ 0 0 139 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.892 114.5 46.0 -64.3 -40.3 0.8 -40.7 -9.0 47 45 A L H X S+ 0 0 9 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.863 107.2 58.0 -70.6 -39.0 3.1 -43.1 -10.8 48 46 A I H < S+ 0 0 15 -4,-3.2 6,-0.2 1,-0.2 -2,-0.2 0.928 113.9 38.7 -55.8 -44.2 2.3 -46.0 -8.5 49 47 A Q H < S+ 0 0 122 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.850 115.1 52.4 -75.4 -33.6 -1.4 -45.6 -9.5 50 48 A A H < S+ 0 0 62 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.741 116.9 39.3 -75.0 -26.3 -0.8 -44.8 -13.2 51 49 A Y >< + 0 0 33 -4,-2.0 3,-1.9 -5,-0.1 -1,-0.3 -0.645 61.9 160.0-123.1 70.2 1.4 -47.9 -13.7 52 50 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.689 75.1 66.2 -67.8 -13.3 -0.2 -50.7 -11.7 53 51 A D T 3 S+ 0 0 91 -3,-0.1 2,-0.5 2,-0.1 -29,-0.1 0.501 92.9 75.7 -77.6 -8.8 1.7 -53.2 -13.8 54 52 A V S < S- 0 0 9 -3,-1.9 2,-0.6 -6,-0.2 -29,-0.2 -0.912 77.9-137.8-109.7 129.0 5.0 -51.9 -12.2 55 53 A R E - c 0 25A 95 -31,-2.6 -29,-2.6 -2,-0.5 2,-0.5 -0.781 19.9-164.9 -84.8 122.8 6.0 -52.8 -8.6 56 54 A F E + c 0 26A 6 -2,-0.6 -49,-0.4 -31,-0.2 2,-0.3 -0.932 13.8 168.2-106.9 131.6 7.3 -49.7 -6.7 57 55 A V E - c 0 27A 1 -31,-2.8 -29,-2.4 -2,-0.5 2,-0.3 -0.833 18.7-143.1-130.9 169.3 9.3 -50.2 -3.5 58 56 A K E -ac 8 28A 21 -51,-2.5 -49,-2.9 -2,-0.3 2,-0.4 -0.940 6.6-162.2-136.6 159.2 11.4 -47.9 -1.4 59 57 A C E - c 0 29A 0 -31,-2.7 -29,-2.6 -2,-0.3 2,-0.8 -0.947 17.6-138.1-148.1 122.2 14.6 -48.1 0.7 60 58 A D E > - c 0 30A 1 -51,-0.5 4,-2.8 -2,-0.4 3,-0.2 -0.707 14.4-155.9 -80.7 110.1 15.9 -45.7 3.4 61 59 A V T 4 S+ 0 0 17 -31,-2.6 7,-0.2 -2,-0.8 -1,-0.1 0.751 92.2 48.5 -63.3 -28.7 19.6 -45.3 2.7 62 60 A D T 4 S+ 0 0 36 -32,-0.3 -1,-0.2 1,-0.1 -31,-0.1 0.843 116.8 43.2 -75.2 -38.2 20.5 -44.4 6.4 63 61 A E T 4 S+ 0 0 100 1,-0.2 -2,-0.2 -3,-0.2 3,-0.1 0.831 129.0 27.5 -72.8 -34.2 18.4 -47.3 7.7 64 62 A S >X + 0 0 6 -4,-2.8 4,-1.9 1,-0.1 3,-0.8 -0.512 65.6 157.0-129.5 65.5 19.8 -49.8 5.1 65 63 A P H 3> S+ 0 0 82 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.736 73.5 61.6 -71.7 -15.7 23.2 -48.6 4.1 66 64 A D H 3> S+ 0 0 78 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.850 106.3 45.3 -71.1 -34.6 24.1 -52.2 2.9 67 65 A I H <> S+ 0 0 0 -3,-0.8 4,-1.6 2,-0.2 -1,-0.2 0.919 112.5 51.0 -72.6 -42.2 21.3 -52.2 0.3 68 66 A A H <>S+ 0 0 7 -4,-1.9 5,-3.0 1,-0.2 -2,-0.2 0.897 110.9 49.3 -61.2 -42.3 22.2 -48.7 -0.8 69 67 A K H ><5S+ 0 0 133 -4,-1.9 3,-1.7 3,-0.2 -1,-0.2 0.873 104.1 58.3 -64.2 -41.4 25.9 -49.8 -1.2 70 68 A E H 3<5S+ 0 0 93 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.877 112.9 40.3 -56.3 -36.6 24.9 -52.9 -3.2 71 69 A C T 3<5S- 0 0 13 -4,-1.6 -1,-0.3 -3,-0.1 -2,-0.2 0.298 112.3-125.0 -93.7 10.2 23.2 -50.5 -5.7 72 70 A E T < 5 - 0 0 114 -3,-1.7 2,-0.5 1,-0.2 -3,-0.2 0.890 41.8-173.6 44.7 51.0 26.2 -48.1 -5.4 73 71 A V < + 0 0 21 -5,-3.0 -1,-0.2 1,-0.2 3,-0.1 -0.610 23.6 153.1 -81.0 123.2 23.7 -45.3 -4.4 74 72 A T + 0 0 124 -2,-0.5 2,-0.2 1,-0.2 -1,-0.2 0.743 56.1 51.1-110.2 -56.8 25.3 -41.8 -4.1 75 73 A A S S- 0 0 41 2,-0.1 -1,-0.2 121,-0.1 18,-0.2 -0.559 86.6-101.1 -89.0 147.1 22.6 -39.1 -4.8 76 74 A M S S+ 0 0 28 119,-0.5 18,-0.2 -2,-0.2 -46,-0.1 -0.951 100.4 29.9-111.2 137.3 19.1 -39.0 -3.3 77 75 A P S S+ 0 0 0 0, 0.0 16,-3.2 0, 0.0 2,-0.4 0.645 75.2 172.0 -77.5 152.9 16.7 -39.9 -4.6 78 76 A T E -BD 29 92A 1 -49,-1.8 -49,-2.9 14,-0.2 2,-0.5 -1.000 16.2-158.2-120.8 124.8 18.0 -42.6 -6.9 79 77 A F E -BD 28 91A 0 12,-3.2 12,-2.6 -2,-0.4 2,-0.5 -0.923 5.5-162.4-101.2 120.0 15.4 -44.8 -8.7 80 78 A V E -BD 27 90A 7 -53,-2.2 -53,-2.4 -2,-0.5 2,-0.4 -0.931 10.9-148.0-106.9 125.4 16.7 -48.2 -9.8 81 79 A L E -BD 26 89A 9 8,-3.0 7,-3.2 -2,-0.5 8,-1.4 -0.761 10.5-164.4-100.7 139.7 14.7 -49.8 -12.4 82 80 A G E -BD 25 87A 1 -57,-2.7 -57,-2.3 -2,-0.4 2,-0.4 -0.916 6.1-176.9-124.2 148.4 14.2 -53.6 -12.8 83 81 A K E -B 24 0A 70 3,-2.9 3,-0.5 -2,-0.3 -59,-0.2 -0.960 67.0 -7.7-151.3 120.5 12.9 -55.6 -15.7 84 82 A D S S- 0 0 102 -61,-2.5 -61,-0.3 -2,-0.4 -60,-0.1 0.895 130.8 -44.4 60.1 48.7 12.3 -59.3 -15.9 85 83 A G S S+ 0 0 24 -63,-2.4 2,-0.3 -66,-0.4 -1,-0.2 0.587 122.9 87.9 81.6 15.7 13.9 -60.3 -12.6 86 84 A Q S S- 0 0 128 -3,-0.5 -3,-2.9 -64,-0.2 2,-0.3 -0.986 78.2-113.4-152.6 138.3 17.0 -58.1 -13.0 87 85 A L E +D 82 0A 58 -2,-0.3 -5,-0.3 -5,-0.3 3,-0.1 -0.667 35.2 172.8 -78.1 135.7 18.1 -54.5 -12.3 88 86 A I E - 0 0 99 -7,-3.2 2,-0.3 -2,-0.3 -6,-0.2 0.651 47.1 -24.0-117.8 -22.8 18.7 -52.6 -15.5 89 87 A G E -D 81 0A 32 -8,-1.4 -8,-3.0 2,-0.0 2,-0.3 -0.998 49.7-106.5-178.2 171.7 19.3 -48.9 -14.8 90 88 A K E -D 80 0A 90 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.916 3.3-164.3-122.7 148.5 19.1 -45.8 -12.8 91 89 A I E -D 79 0A 24 -12,-2.6 -12,-3.2 -2,-0.3 2,-0.5 -0.990 26.3-156.8-122.6 122.2 17.3 -42.5 -12.8 92 90 A I E +D 78 0A 98 -2,-0.4 -14,-0.2 -14,-0.2 -16,-0.1 -0.846 44.4 8.2-108.5 128.2 19.1 -40.1 -10.5 93 91 A G S S- 0 0 18 -16,-3.2 2,-2.4 -2,-0.5 -14,-0.1 -0.105 99.9 -48.3 98.8 167.7 17.5 -37.1 -8.8 94 92 A A S S+ 0 0 33 -18,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.447 80.7 136.9 -77.3 67.1 14.1 -35.5 -8.4 95 93 A N > + 0 0 74 -2,-2.4 4,-2.4 1,-0.1 5,-0.2 -0.787 26.8 177.1-119.8 83.4 13.3 -35.7 -12.1 96 94 A P H > S+ 0 0 34 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.797 80.8 53.3 -58.9 -32.1 9.6 -36.8 -12.6 97 95 A T H > S+ 0 0 115 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.948 112.9 41.0 -70.8 -50.2 9.8 -36.6 -16.4 98 96 A A H > S+ 0 0 33 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.869 115.8 53.2 -63.1 -35.9 12.9 -38.8 -16.8 99 97 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.962 110.1 45.4 -67.1 -49.6 11.5 -41.1 -14.2 100 98 A E H X S+ 0 0 69 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.911 111.7 53.9 -59.6 -41.8 8.1 -41.5 -15.9 101 99 A K H X S+ 0 0 141 -4,-2.5 4,-1.1 2,-0.2 -1,-0.2 0.935 109.3 46.6 -57.1 -49.7 9.9 -42.0 -19.3 102 100 A G H >X S+ 0 0 17 -4,-2.5 3,-0.6 1,-0.2 4,-0.5 0.915 111.8 52.0 -59.6 -41.9 12.1 -44.8 -17.9 103 101 A I H >< S+ 0 0 3 -4,-2.5 3,-1.2 1,-0.2 -1,-0.2 0.906 106.2 54.3 -59.2 -43.0 9.0 -46.5 -16.3 104 102 A K H 3< S+ 0 0 133 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.726 103.7 57.1 -61.9 -26.1 7.2 -46.3 -19.7 105 103 A D H << 0 0 114 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.573 360.0 360.0 -83.8 -11.5 10.1 -48.2 -21.3 106 104 A L << 0 0 26 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.2 0.782 360.0 360.0 -65.2 360.0 9.8 -51.2 -18.9 107 !* 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 0.0 108 -1 B S 0 0 102 0, 0.0 2,-0.2 0, 0.0 48,-0.1 0.000 360.0 360.0 360.0-175.2 36.2 -17.2 10.4 109 0 B S > - 0 0 28 46,-0.1 4,-1.4 1,-0.1 3,-0.4 -0.818 360.0 -77.8-146.0 177.2 36.8 -20.8 11.6 110 1 B Y T 4 S+ 0 0 14 38,-0.4 3,-0.3 -2,-0.2 -1,-0.1 0.885 123.9 51.3 -48.0 -45.7 35.6 -24.1 13.1 111 2 B T T 4 S+ 0 0 110 1,-0.2 -1,-0.2 37,-0.1 37,-0.0 0.854 114.5 39.8 -70.5 -31.4 35.6 -22.5 16.6 112 3 B S T 4 S+ 0 0 74 -3,-0.4 -1,-0.2 2,-0.1 -2,-0.2 0.535 87.2 106.7 -99.7 -9.0 33.6 -19.4 15.8 113 4 B I S < S- 0 0 18 -4,-1.4 51,-0.1 -3,-0.3 49,-0.0 -0.360 86.0 -80.0 -68.0 152.9 30.8 -20.8 13.4 114 5 B T - 0 0 50 49,-0.4 51,-2.5 1,-0.1 2,-0.7 -0.235 37.2-147.1 -48.0 133.5 27.3 -21.1 14.8 115 6 B K B -e 165 0B 84 49,-0.2 51,-0.2 -3,-0.1 -1,-0.1 -0.945 21.5-132.1-108.7 106.8 26.7 -24.2 16.9 116 7 B L + 0 0 0 49,-2.6 51,-0.5 -2,-0.7 3,-0.1 -0.322 35.0 165.5 -61.8 140.5 23.1 -25.3 16.3 117 8 B T + 0 0 100 1,-0.2 2,-0.3 49,-0.1 -1,-0.1 0.399 54.6 52.7-134.6 -7.1 21.1 -26.0 19.5 118 9 B N > - 0 0 82 1,-0.1 4,-2.2 55,-0.0 -1,-0.2 -0.993 65.6-134.9-146.0 143.9 17.4 -26.1 18.4 119 10 B L H > S+ 0 0 45 -2,-0.3 4,-2.7 2,-0.2 5,-0.1 0.868 109.1 47.1 -67.6 -39.5 15.3 -27.9 15.8 120 11 B T H > S+ 0 0 81 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.916 111.7 51.6 -68.1 -40.2 13.4 -24.8 14.7 121 12 B E H > S+ 0 0 57 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.897 110.3 49.7 -60.5 -43.9 16.6 -22.9 14.5 122 13 B F H X S+ 0 0 3 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.957 111.5 48.4 -60.0 -52.3 18.1 -25.7 12.3 123 14 B R H X S+ 0 0 97 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.918 112.0 49.0 -54.4 -47.4 15.0 -25.6 10.0 124 15 B N H X S+ 0 0 68 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.911 109.5 51.7 -60.2 -47.1 15.1 -21.7 9.7 125 16 B L H X S+ 0 0 12 -4,-2.5 4,-0.9 -5,-0.2 -1,-0.2 0.881 107.8 52.8 -53.1 -41.0 18.8 -21.8 8.8 126 17 B I H >< S+ 0 0 19 -4,-2.0 3,-0.6 1,-0.2 66,-0.5 0.944 112.7 44.8 -63.0 -44.1 18.0 -24.4 6.1 127 18 B K H 3< S+ 0 0 144 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.819 112.9 50.1 -68.1 -35.2 15.3 -22.1 4.6 128 19 B Q H 3< S+ 0 0 137 -4,-2.2 2,-0.5 -5,-0.1 -1,-0.2 0.584 97.1 80.3 -79.4 -13.5 17.4 -18.9 4.7 129 20 B N << - 0 0 28 -4,-0.9 63,-1.5 -3,-0.6 64,-0.2 -0.856 52.9-165.1-116.2 125.7 20.5 -20.2 3.1 130 21 B D S S+ 0 0 110 -2,-0.5 61,-2.3 1,-0.3 2,-0.3 0.765 93.7 21.6 -65.3 -33.0 21.2 -20.7 -0.6 131 22 B K E S+F 190 0B 58 59,-0.2 31,-2.6 29,-0.1 2,-0.4 -0.976 77.6 173.9-146.4 120.4 24.2 -22.8 0.4 132 23 B L E -Fg 189 162B 0 57,-2.3 57,-2.3 -2,-0.3 2,-0.4 -0.995 15.7-172.2-136.5 133.6 24.7 -24.6 3.8 133 24 B V E -Fg 188 163B 0 29,-2.9 31,-2.9 -2,-0.4 2,-0.5 -0.999 9.2-166.3-120.0 128.3 27.1 -27.0 5.4 134 25 B I E -Fg 187 164B 0 53,-2.4 53,-2.3 -2,-0.4 2,-0.9 -0.966 9.2-152.6-111.5 122.6 26.4 -28.6 8.8 135 26 B D E -Fg 186 165B 0 29,-2.8 31,-2.9 -2,-0.5 2,-0.8 -0.827 9.0-164.0 -90.9 103.4 29.2 -30.4 10.6 136 27 B F E +Fg 185 166B 0 49,-2.8 49,-1.9 -2,-0.9 2,-0.3 -0.840 27.7 159.7 -87.0 113.8 27.6 -33.0 12.9 137 28 B Y E - g 0 167B 10 29,-2.5 31,-2.6 -2,-0.8 32,-0.4 -0.780 37.5-139.2-132.1 167.5 30.4 -34.0 15.3 138 29 B A > - 0 0 1 -2,-0.3 3,-0.9 3,-0.2 6,-0.2 -0.986 19.3-135.1-126.1 144.3 31.0 -35.5 18.7 139 30 B T T 3 S+ 0 0 85 -2,-0.4 -1,-0.1 1,-0.2 6,-0.1 0.766 104.9 50.2 -69.1 -27.2 33.6 -34.2 21.1 140 31 B W T 3 S+ 0 0 161 4,-0.0 2,-0.7 -3,-0.0 -1,-0.2 0.551 89.5 98.9 -83.4 -8.4 35.0 -37.7 22.0 141 32 B C X> - 0 0 13 -3,-0.9 4,-1.3 1,-0.1 3,-0.8 -0.728 59.4-158.6 -97.5 111.2 35.5 -38.6 18.3 142 33 B G H 3> S+ 0 0 35 -2,-0.7 4,-2.6 1,-0.2 5,-0.2 0.869 88.2 58.1 -58.4 -46.8 39.0 -38.2 17.0 143 34 B P H 3> S+ 0 0 64 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.812 104.1 54.7 -55.4 -29.3 38.2 -37.9 13.2 144 35 B C H <> S+ 0 0 2 -3,-0.8 4,-0.7 2,-0.2 -2,-0.2 0.916 109.1 48.2 -66.3 -44.1 35.9 -34.9 14.0 145 36 B K H >< S+ 0 0 106 -4,-1.3 3,-1.1 1,-0.2 -1,-0.2 0.921 108.9 52.8 -57.7 -50.1 38.9 -33.2 15.7 146 37 B M H 3< S+ 0 0 136 -4,-2.6 4,-0.5 1,-0.2 -1,-0.2 0.810 107.1 54.1 -55.5 -33.7 41.1 -34.0 12.7 147 38 B M H 3X S+ 0 0 3 -4,-1.3 4,-2.2 -5,-0.2 -1,-0.2 0.630 85.3 86.0 -79.2 -15.9 38.5 -32.4 10.4 148 39 B Q H S+ 0 0 89 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.852 113.1 53.7 -65.1 -27.7 41.4 -27.3 10.5 150 41 B H H > S+ 0 0 89 -4,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.883 108.1 49.8 -66.5 -38.6 40.0 -28.6 7.2 151 42 B L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.874 107.1 54.5 -67.2 -39.8 36.7 -27.0 7.9 152 43 B T H X S+ 0 0 35 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.917 109.8 47.5 -55.8 -46.8 38.4 -23.7 8.8 153 44 B K H X S+ 0 0 148 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.907 114.2 46.3 -61.4 -46.2 40.2 -23.8 5.4 154 45 B L H X S+ 0 0 8 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.847 108.9 55.5 -63.1 -37.5 36.9 -24.6 3.6 155 46 B I H < S+ 0 0 16 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.882 113.6 41.8 -64.0 -38.1 35.0 -21.9 5.6 156 47 B Q H < S+ 0 0 120 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.867 115.1 49.8 -75.3 -38.0 37.6 -19.3 4.3 157 48 B A H < S+ 0 0 56 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.749 113.3 46.3 -73.2 -28.7 37.6 -20.7 0.8 158 49 B Y >< + 0 0 43 -4,-2.0 3,-1.9 1,-0.1 -1,-0.2 -0.628 57.6 160.7-117.8 72.1 33.8 -20.6 0.4 159 50 B P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.706 76.8 60.7 -67.7 -15.4 32.5 -17.3 1.7 160 51 B D T 3 S+ 0 0 124 -3,-0.1 2,-0.5 2,-0.1 -29,-0.1 0.402 94.5 78.2 -91.1 4.0 29.3 -17.8 -0.2 161 52 B V S < S- 0 0 13 -3,-1.9 2,-0.6 -6,-0.2 -29,-0.2 -0.950 77.5-136.7-112.2 129.9 28.6 -21.0 1.8 162 53 B R E - g 0 132B 94 -31,-2.6 -29,-2.9 -2,-0.5 2,-0.5 -0.784 21.4-163.3 -84.4 121.5 27.2 -20.8 5.3 163 54 B F E + g 0 133B 7 -2,-0.6 -49,-0.4 -31,-0.2 2,-0.3 -0.906 16.0 163.3-105.2 129.3 29.0 -23.3 7.6 164 55 B V E - g 0 134B 0 -31,-2.9 -29,-2.8 -2,-0.5 2,-0.3 -0.868 20.9-142.9-131.6 172.7 27.6 -24.4 11.0 165 56 B K E -eg 115 135B 20 -51,-2.5 -49,-2.6 -2,-0.3 2,-0.3 -0.905 5.7-161.6-135.3 162.3 28.2 -27.2 13.4 166 57 B C E - g 0 136B 0 -31,-2.9 -29,-2.5 -2,-0.3 2,-0.8 -0.965 18.4-137.0-150.0 122.9 26.1 -29.5 15.7 167 58 B D E > - g 0 137B 2 -51,-0.5 4,-2.5 -2,-0.3 3,-0.4 -0.766 16.1-154.5 -82.8 114.5 27.2 -31.6 18.6 168 59 B V T 4 S+ 0 0 11 -31,-2.6 7,-0.2 -2,-0.8 -1,-0.2 0.686 91.2 48.9 -65.3 -22.2 25.2 -34.8 18.2 169 60 B D T 4 S+ 0 0 89 -32,-0.4 -1,-0.2 2,-0.1 -31,-0.1 0.773 115.0 42.5 -91.2 -28.8 25.3 -35.7 21.9 170 61 B E T 4 S+ 0 0 119 -3,-0.4 -2,-0.2 1,-0.2 3,-0.1 0.766 128.1 31.8 -82.9 -27.5 24.2 -32.3 23.1 171 62 B S >X + 0 0 15 -4,-2.5 4,-1.9 1,-0.1 3,-0.8 -0.508 68.9 158.4-126.9 64.4 21.5 -32.1 20.3 172 63 B P H 3> S+ 0 0 73 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.725 72.8 58.8 -63.2 -26.4 20.4 -35.7 19.7 173 64 B D H 3> S+ 0 0 118 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.849 107.2 45.5 -70.3 -36.3 17.1 -34.6 18.1 174 65 B I H <> S+ 0 0 4 -3,-0.8 4,-1.5 2,-0.2 -1,-0.2 0.906 114.3 48.8 -72.5 -43.0 18.8 -32.6 15.4 175 66 B A H <>S+ 0 0 5 -4,-1.9 5,-2.9 1,-0.2 -2,-0.2 0.884 112.2 50.4 -54.9 -42.6 21.3 -35.5 14.8 176 67 B K H ><5S+ 0 0 137 -4,-2.1 3,-1.6 3,-0.2 -2,-0.2 0.882 103.7 57.3 -66.6 -41.9 18.3 -37.9 14.7 177 68 B E H 3<5S+ 0 0 59 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.861 113.5 40.4 -54.7 -40.1 16.5 -35.6 12.2 178 69 B C T 3<5S- 0 0 0 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.202 112.9-120.4 -93.5 13.3 19.5 -36.0 9.8 179 70 B E T < 5 + 0 0 26 -3,-1.6 2,-0.7 1,-0.2 -3,-0.2 0.861 50.5 170.9 45.9 49.2 19.9 -39.7 10.6 180 71 B V < + 0 0 13 -5,-2.9 -1,-0.2 1,-0.2 3,-0.1 -0.756 22.2 139.8 -92.7 111.6 23.4 -39.2 11.9 181 72 B T + 0 0 139 -2,-0.7 2,-0.4 1,-0.2 -1,-0.2 0.494 64.8 59.8-124.6 -8.0 25.1 -42.2 13.7 182 73 B A S S- 0 0 47 18,-0.0 -1,-0.2 -46,-0.0 18,-0.2 -0.960 87.8-108.4-116.2 142.3 28.7 -41.9 12.3 183 74 B M S S+ 0 0 33 -2,-0.4 18,-0.2 1,-0.1 -46,-0.1 -0.923 88.4 32.4-129.9 146.6 30.7 -38.7 12.8 184 75 B P S S+ 0 0 0 0, 0.0 16,-3.8 0, 0.0 2,-0.4 0.618 73.3 170.4 -76.6 149.3 31.8 -36.5 11.4 185 76 B T E -FH 136 199B 1 -49,-1.9 -49,-2.8 14,-0.2 2,-0.6 -1.000 19.1-154.4-119.8 130.7 28.8 -36.3 9.0 186 77 B F E -FH 135 198B 0 12,-3.6 12,-3.1 -2,-0.4 2,-0.5 -0.911 7.4-162.1-109.3 121.0 28.5 -33.2 6.7 187 78 B V E -FH 134 197B 0 -53,-2.3 -53,-2.4 -2,-0.6 2,-0.4 -0.877 7.5-152.4-106.9 132.1 25.0 -32.3 5.6 188 79 B L E -FH 133 196B 7 8,-3.1 7,-3.2 -2,-0.5 8,-1.7 -0.884 9.9-171.0-113.5 136.0 24.7 -30.1 2.6 189 80 B G E -FH 132 194B 1 -57,-2.3 -57,-2.3 -2,-0.4 2,-0.4 -0.944 2.2-175.1-122.6 144.4 21.8 -27.7 1.8 190 81 B K E > -FH 131 193B 73 3,-2.4 3,-1.1 -2,-0.4 -59,-0.2 -0.992 67.1 -10.7-140.2 132.3 21.1 -25.8 -1.4 191 82 B D T 3 S- 0 0 109 -61,-2.3 -61,-0.2 -2,-0.4 -60,-0.1 0.839 131.2 -40.6 49.9 44.5 18.3 -23.2 -2.0 192 83 B G T 3 S+ 0 0 27 -63,-1.5 2,-0.3 -66,-0.5 -1,-0.3 0.570 121.2 75.9 92.0 9.3 16.3 -23.9 1.1 193 84 B Q E < S-H 190 0B 77 -3,-1.1 -3,-2.4 -64,-0.2 2,-0.4 -0.996 81.1-103.7-147.7 156.5 16.4 -27.7 1.4 194 85 B L E +H 189 0B 9 -161,-0.4 -159,-2.4 -2,-0.3 -5,-0.3 -0.645 39.0 169.1 -78.7 132.9 18.9 -30.4 2.5 195 86 B I E + 0 0 57 -7,-3.2 -119,-0.5 -2,-0.4 2,-0.3 0.660 51.0 5.6-117.4 -24.1 20.3 -32.2 -0.6 196 87 B G E -H 188 0B 19 -8,-1.7 -8,-3.1 -121,-0.1 2,-0.3 -0.976 47.7-142.4-160.6 169.0 23.3 -34.4 0.4 197 88 B K E -H 187 0B 43 -2,-0.3 2,-0.5 -10,-0.3 -10,-0.2 -0.998 4.4-162.0-142.1 130.9 25.4 -36.0 3.1 198 89 B I E -H 186 0B 25 -12,-3.1 -12,-3.6 -2,-0.3 2,-0.5 -0.994 19.7-153.1-114.2 121.7 29.2 -36.7 3.2 199 90 B I E +H 185 0B 98 -2,-0.5 -14,-0.2 -14,-0.2 -16,-0.1 -0.837 47.1 3.5-103.5 128.4 30.1 -39.2 6.0 200 91 B G S S- 0 0 19 -16,-3.8 2,-2.3 -2,-0.5 -14,-0.1 -0.127 100.3 -44.9 96.8 170.7 33.5 -39.3 7.6 201 92 B A S S+ 0 0 48 -18,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.443 78.5 138.3 -78.3 71.7 36.8 -37.5 7.7 202 93 B N > + 0 0 77 -2,-2.3 4,-2.5 1,-0.1 5,-0.2 -0.810 26.2 178.6-123.6 84.6 37.1 -37.2 3.9 203 94 B P H > S+ 0 0 41 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.820 80.9 50.5 -58.8 -35.9 38.4 -33.6 3.1 204 95 B T H > S+ 0 0 105 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.906 112.4 44.5 -68.0 -49.1 38.4 -34.2 -0.7 205 96 B A H > S+ 0 0 29 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.896 113.6 52.8 -63.2 -41.8 34.9 -35.6 -0.9 206 97 B L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.956 111.6 43.9 -59.1 -52.1 33.7 -32.8 1.4 207 98 B E H X S+ 0 0 66 -4,-2.3 4,-3.5 1,-0.2 -1,-0.2 0.865 111.6 54.2 -61.1 -40.4 35.3 -30.0 -0.8 208 99 B K H X S+ 0 0 139 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.888 111.8 44.9 -62.8 -41.8 34.0 -31.6 -4.0 209 100 B G H < S+ 0 0 20 -4,-2.4 4,-0.5 2,-0.2 -2,-0.2 0.911 115.7 46.7 -63.9 -43.1 30.5 -31.6 -2.5 210 101 B I H >< S+ 0 0 1 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.921 108.6 55.8 -65.1 -44.8 30.9 -28.0 -1.3 211 102 B K H 3< S+ 0 0 131 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.837 104.3 54.7 -54.5 -38.4 32.3 -27.0 -4.7 212 103 B D T 3< 0 0 122 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.563 360.0 360.0 -76.7 -10.4 29.2 -28.3 -6.4 213 104 B L < 0 0 27 -3,-1.5 -82,-0.1 -4,-0.5 -23,-0.1 -0.461 360.0 360.0 -72.7 360.0 26.8 -26.2 -4.2