==== 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 OXIDOREDUCTASE 22-MAR-10 3M9K . COMPND 2 MOLECULE: THIOREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.WEICHSEL,W.R.MONTFORT . 210 2 3 2 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11134.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 156 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 13.3 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 1.0 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 . 26 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 63 30.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 1 0 0 0 2 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 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 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 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 M 0 0 134 0, 0.0 53,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 143.2 43.8 -5.6 -23.0 2 2 A V E -a 54 0A 19 51,-0.1 2,-0.5 53,-0.0 53,-0.2 -0.954 360.0-145.2-113.2 137.0 46.1 -5.9 -20.0 3 3 A K E -a 55 0A 93 51,-2.6 53,-2.2 -2,-0.4 2,-0.7 -0.891 11.6-137.2-102.7 126.2 45.6 -3.9 -16.9 4 4 A Q E -a 56 0A 63 -2,-0.5 2,-0.7 51,-0.2 53,-0.2 -0.747 16.2-147.1 -82.7 117.2 48.8 -2.7 -15.0 5 5 A I + 0 0 2 51,-2.6 53,-0.5 -2,-0.7 57,-0.1 -0.749 26.6 167.4 -91.2 116.5 48.1 -3.3 -11.3 6 6 A E + 0 0 80 -2,-0.7 2,-0.3 51,-0.1 165,-0.1 0.218 56.0 38.9-125.0 12.7 50.0 -0.6 -9.4 7 7 A S S > S- 0 0 0 162,-0.2 4,-1.6 1,-0.1 162,-0.2 -0.976 75.3-119.7-152.8 155.5 48.6 -0.7 -5.8 8 8 A K H > S+ 0 0 109 160,-0.5 4,-2.1 -2,-0.3 3,-0.3 0.925 116.7 52.8 -57.0 -45.3 47.6 -3.5 -3.4 9 9 A T H > S+ 0 0 57 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.922 106.3 53.5 -59.3 -42.3 44.1 -2.2 -3.3 10 10 A A H > S+ 0 0 6 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.851 105.7 54.3 -59.8 -37.0 43.9 -2.2 -7.1 11 11 A F H X S+ 0 0 20 -4,-1.6 4,-2.2 -3,-0.3 -2,-0.2 0.960 111.8 43.0 -63.3 -50.3 45.0 -5.9 -7.0 12 12 A Q H X S+ 0 0 102 -4,-2.1 4,-2.6 1,-0.2 5,-0.3 0.931 112.6 54.2 -59.8 -45.5 42.1 -6.9 -4.7 13 13 A E H X S+ 0 0 76 -4,-2.9 4,-2.5 -5,-0.2 -1,-0.2 0.909 108.9 48.2 -57.6 -41.8 39.7 -4.7 -6.6 14 14 A A H X S+ 0 0 16 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.894 110.9 50.4 -64.7 -43.5 40.6 -6.5 -9.8 15 15 A L H < S+ 0 0 12 -4,-2.2 68,-0.3 1,-0.2 -2,-0.2 0.888 114.3 45.1 -63.2 -36.7 40.2 -9.9 -8.2 16 16 A D H >< S+ 0 0 106 -4,-2.6 3,-1.3 1,-0.2 -2,-0.2 0.902 111.3 52.0 -72.2 -39.4 36.8 -8.9 -6.9 17 17 A A H 3< S+ 0 0 90 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.681 93.5 74.2 -73.1 -19.3 35.6 -7.3 -10.1 18 18 A A T >< S- 0 0 12 -4,-1.2 3,-2.3 1,-0.2 -1,-0.3 0.584 76.4-168.9 -69.4 -13.9 36.5 -10.4 -12.1 19 19 A G T < S- 0 0 46 -3,-1.3 63,-0.7 1,-0.3 -1,-0.2 -0.405 70.3 -21.4 57.1-122.8 33.5 -12.3 -10.8 20 20 A D T 3 S+ 0 0 131 61,-0.1 -1,-0.3 -2,-0.1 -2,-0.1 0.345 107.8 120.2 -99.8 3.8 34.0 -15.9 -11.9 21 21 A K S < S- 0 0 71 -3,-2.3 61,-0.5 1,-0.1 2,-0.3 -0.308 72.4-104.1 -65.5 144.5 36.4 -15.1 -14.7 22 22 A L - 0 0 0 29,-0.4 31,-2.9 59,-0.1 2,-0.4 -0.562 35.6-157.0 -62.0 135.1 39.9 -16.5 -14.8 23 23 A V E -bC 53 80A 3 57,-2.3 57,-2.7 -2,-0.3 2,-0.5 -0.975 5.2-164.3-115.0 131.9 42.4 -13.9 -13.8 24 24 A V E -bC 54 79A 0 29,-3.2 31,-2.8 -2,-0.4 2,-0.5 -0.977 3.4-162.7-120.0 132.7 46.0 -14.3 -14.9 25 25 A V E -bC 55 78A 0 53,-2.9 53,-2.1 -2,-0.5 2,-0.7 -0.958 6.4-156.0-119.3 121.4 48.7 -12.2 -13.3 26 26 A D E -bC 56 77A 2 29,-2.9 31,-2.6 -2,-0.5 2,-0.7 -0.875 6.3-161.0 -95.3 107.3 52.2 -11.6 -14.8 27 27 A F E +bC 57 76A 0 49,-3.2 49,-1.6 -2,-0.7 2,-0.2 -0.853 33.8 152.5 -86.3 113.8 54.7 -10.8 -12.1 28 28 A S E -b 58 0A 22 29,-2.6 31,-2.7 -2,-0.7 32,-0.3 -0.748 36.2-140.6-136.2 179.1 57.6 -9.2 -14.1 29 29 A A > - 0 0 4 -2,-0.2 3,-1.2 29,-0.2 7,-0.1 -0.985 24.9-124.7-146.2 149.9 60.5 -6.7 -14.0 30 30 A T T 3 S+ 0 0 104 -2,-0.3 -1,-0.1 1,-0.2 6,-0.1 0.770 112.0 51.7 -61.1 -29.7 61.9 -4.2 -16.5 31 31 A W T 3 S+ 0 0 155 4,-0.0 2,-0.7 -3,-0.0 -1,-0.2 0.465 84.7 105.8 -89.2 -4.7 65.4 -5.8 -16.2 32 32 A a <> - 0 0 7 -3,-1.2 4,-2.0 1,-0.2 5,-0.2 -0.697 52.1-164.1 -90.6 113.1 64.2 -9.4 -17.0 33 33 A G H > S+ 0 0 40 -2,-0.7 4,-1.9 1,-0.2 -1,-0.2 0.940 91.2 47.2 -56.1 -57.7 65.0 -10.7 -20.5 34 34 A P H > S+ 0 0 72 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.883 111.2 55.0 -53.8 -40.1 62.6 -13.6 -20.6 35 35 A a H > S+ 0 0 6 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.899 106.5 49.7 -58.9 -44.4 59.9 -11.2 -19.3 36 36 A K H < S+ 0 0 130 -4,-2.0 -1,-0.2 1,-0.2 -3,-0.1 0.878 108.7 54.8 -63.0 -37.9 60.5 -8.7 -22.1 37 37 A M H < S+ 0 0 99 -4,-1.9 4,-0.4 1,-0.2 -2,-0.2 0.925 114.3 37.4 -57.4 -48.5 60.2 -11.6 -24.6 38 38 A I H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 3,-0.3 0.609 91.8 89.1 -88.9 -16.2 56.8 -12.8 -23.5 39 39 A K H X S+ 0 0 113 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.925 90.1 47.2 -50.2 -48.1 55.2 -9.4 -22.7 40 40 A P H > S+ 0 0 85 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.885 112.1 51.3 -66.1 -30.7 53.9 -8.9 -26.3 41 41 A F H > S+ 0 0 43 -4,-0.4 4,-3.0 -3,-0.3 5,-0.2 0.928 107.4 51.9 -67.3 -42.7 52.5 -12.5 -26.2 42 42 A F H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.935 111.7 48.8 -56.4 -42.3 50.7 -11.8 -22.9 43 43 A H H X S+ 0 0 68 -4,-2.3 4,-1.3 -5,-0.2 -2,-0.2 0.927 110.6 48.9 -65.2 -44.1 49.2 -8.8 -24.6 44 44 A S H X S+ 0 0 62 -4,-2.4 4,-1.6 1,-0.2 3,-0.4 0.915 109.2 53.5 -61.7 -42.7 48.1 -10.8 -27.7 45 45 A L H X S+ 0 0 2 -4,-3.0 4,-2.9 1,-0.2 -1,-0.2 0.898 104.1 57.2 -58.4 -38.3 46.6 -13.4 -25.4 46 46 A S H < S+ 0 0 7 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.853 107.8 46.2 -63.5 -32.5 44.6 -10.6 -23.7 47 47 A E H < S+ 0 0 143 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.813 115.8 47.7 -77.0 -28.5 43.1 -9.6 -27.0 48 48 A K H < S+ 0 0 134 -4,-1.6 2,-1.1 1,-0.2 -2,-0.2 0.890 108.6 50.4 -75.8 -48.3 42.3 -13.3 -27.8 49 49 A Y >< + 0 0 41 -4,-2.9 3,-1.7 1,-0.2 -1,-0.2 -0.712 66.3 174.3 -99.3 82.6 40.7 -14.5 -24.5 50 50 A S T 3 S+ 0 0 87 -2,-1.1 -1,-0.2 1,-0.3 -2,-0.1 0.663 76.7 52.5 -66.0 -22.1 38.1 -11.7 -24.0 51 51 A N T 3 S+ 0 0 113 -3,-0.1 -29,-0.4 2,-0.1 2,-0.4 0.164 95.6 80.2-104.8 22.0 36.6 -13.4 -21.0 52 52 A V S < S- 0 0 10 -3,-1.7 2,-0.5 -6,-0.2 -29,-0.2 -0.943 76.9-131.8-122.5 142.0 39.9 -13.9 -19.1 53 53 A I E - b 0 23A 45 -31,-2.9 -29,-3.2 -2,-0.4 2,-0.5 -0.859 17.3-157.8-100.3 130.5 41.3 -10.9 -17.1 54 54 A F E +ab 2 24A 5 -53,-0.5 -51,-2.6 -2,-0.5 2,-0.3 -0.930 14.0 178.1-116.9 123.4 45.0 -10.2 -17.7 55 55 A L E -ab 3 25A 1 -31,-2.8 -29,-2.9 -2,-0.5 2,-0.4 -0.891 14.6-154.1-124.1 148.0 47.0 -8.2 -15.1 56 56 A E E -ab 4 26A 11 -53,-2.2 -51,-2.6 -2,-0.3 2,-0.4 -0.992 7.1-172.0-125.5 134.3 50.6 -7.1 -14.8 57 57 A V E - b 0 27A 0 -31,-2.6 -29,-2.6 -2,-0.4 2,-0.6 -0.991 16.5-144.5-123.0 125.0 52.5 -6.5 -11.5 58 58 A D E > - b 0 28A 20 -53,-0.5 4,-2.6 -2,-0.4 -29,-0.2 -0.793 10.0-151.9 -89.4 119.6 56.0 -5.0 -11.6 59 59 A V T 4 S+ 0 0 20 -31,-2.7 7,-0.2 -2,-0.6 8,-0.1 0.715 91.2 51.4 -72.8 -19.7 57.9 -6.6 -8.7 60 60 A D T >4 S+ 0 0 68 -32,-0.3 3,-0.6 2,-0.1 -1,-0.2 0.897 115.6 41.4 -80.5 -39.4 60.3 -3.6 -8.1 61 61 A D T 34 S+ 0 0 53 1,-0.2 2,-0.2 2,-0.1 -2,-0.2 0.879 128.7 31.8 -67.9 -40.8 57.4 -1.1 -7.9 62 62 A b T 3X S+ 0 0 3 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 -0.477 71.5 152.3-121.4 60.1 55.3 -3.5 -5.9 63 63 A Q H <> S+ 0 0 125 -3,-0.6 4,-2.7 1,-0.2 -1,-0.2 0.858 74.6 49.4 -60.0 -42.9 57.8 -5.5 -3.8 64 64 A D H > S+ 0 0 129 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.853 109.3 51.1 -73.5 -33.6 55.4 -6.2 -1.0 65 65 A V H > S+ 0 0 6 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.928 113.9 45.3 -62.3 -47.2 52.6 -7.4 -3.3 66 66 A A H <>S+ 0 0 8 -4,-2.2 5,-2.2 2,-0.2 -2,-0.2 0.925 114.2 49.0 -61.3 -46.0 55.0 -9.8 -4.9 67 67 A S H ><5S+ 0 0 76 -4,-2.7 3,-1.9 1,-0.2 -2,-0.2 0.936 111.0 49.5 -59.8 -49.7 56.4 -10.9 -1.5 68 68 A E H 3<5S+ 0 0 123 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.901 107.6 54.9 -56.4 -39.8 52.9 -11.5 -0.1 69 69 A S T 3<5S- 0 0 19 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.437 114.8-121.1 -75.6 1.4 52.1 -13.5 -3.2 70 70 A E T < 5 + 0 0 143 -3,-1.9 -3,-0.2 1,-0.2 2,-0.1 0.743 46.6 175.0 58.6 34.5 55.2 -15.7 -2.5 71 71 A V < + 0 0 29 -5,-2.2 -1,-0.2 -6,-0.1 3,-0.1 -0.449 13.5 159.8 -63.9 134.3 56.8 -14.9 -5.8 72 72 A K + 0 0 193 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.347 55.1 51.6-136.7 -1.6 60.4 -16.4 -6.1 73 73 A S S S- 0 0 46 16,-0.1 -1,-0.2 -46,-0.0 -46,-0.1 -0.991 85.2 -96.0-144.7 145.2 61.1 -16.5 -9.8 74 74 A M S S+ 0 0 41 -2,-0.3 18,-0.2 1,-0.1 2,-0.1 -0.943 104.7 18.5-112.0 123.6 61.0 -14.0 -12.7 75 75 A P S S+ 0 0 0 0, 0.0 16,-2.6 0, 0.0 2,-0.4 0.679 79.1 179.9 -82.4 166.7 58.5 -14.0 -14.3 76 76 A T E -CD 27 90A 2 -49,-1.6 -49,-3.2 14,-0.2 2,-0.5 -0.998 12.4-156.8-123.8 134.8 55.8 -15.8 -12.4 77 77 A F E -CD 26 89A 0 12,-2.8 12,-2.2 -2,-0.4 2,-0.4 -0.966 11.0-172.1-107.8 123.3 52.3 -16.3 -13.6 78 78 A Q E -CD 25 88A 2 -53,-2.1 -53,-2.9 -2,-0.5 2,-0.4 -0.910 8.3-152.5-114.3 145.4 49.5 -16.8 -11.1 79 79 A F E -CD 24 87A 0 8,-2.5 7,-2.3 -2,-0.4 8,-1.2 -0.956 13.9-173.1-123.0 132.1 46.0 -17.8 -11.9 80 80 A F E -CD 23 85A 17 -57,-2.7 -57,-2.3 -2,-0.4 2,-0.4 -0.968 16.6-175.1-130.3 145.8 42.9 -16.9 -9.9 81 81 A K E > S- D 0 84A 59 3,-2.3 3,-2.4 -2,-0.3 -61,-0.1 -0.993 85.0 -9.7-133.3 131.3 39.2 -17.7 -9.7 82 82 A K T 3 S- 0 0 148 -63,-0.7 -62,-0.1 -61,-0.5 3,-0.1 0.875 130.7 -56.2 53.7 35.6 37.0 -15.9 -7.2 83 83 A G T 3 S+ 0 0 25 -68,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.446 113.3 119.5 78.3 -3.9 40.1 -14.6 -5.5 84 84 A Q E < -D 81 0A 123 -3,-2.4 -3,-2.3 -69,-0.1 2,-0.6 -0.846 69.8-119.5-101.4 131.2 41.6 -18.0 -5.0 85 85 A K E +D 80 0A 99 -2,-0.5 -5,-0.3 -5,-0.2 3,-0.1 -0.584 36.1 170.3 -69.7 112.2 44.9 -19.0 -6.6 86 86 A V E + 0 0 66 -7,-2.3 2,-0.3 -2,-0.6 -6,-0.2 0.430 61.9 1.2-101.0 -5.7 44.1 -22.0 -8.8 87 87 A G E +D 79 0A 20 -8,-1.2 -8,-2.5 2,-0.0 2,-0.3 -0.961 55.0 179.3-173.5 165.8 47.5 -22.2 -10.6 88 88 A E E +D 78 0A 73 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.909 4.6 166.8-172.6 143.2 51.0 -20.9 -10.9 89 89 A F E -D 77 0A 14 -12,-2.2 -12,-2.8 -2,-0.3 2,-0.3 -0.972 22.0-132.0-155.3 162.6 54.2 -21.4 -12.8 90 90 A S E +D 76 0A 62 -2,-0.3 -14,-0.2 -14,-0.2 -16,-0.1 -0.850 56.5 50.8-115.9 158.3 57.5 -19.6 -13.4 91 91 A G S S- 0 0 27 -16,-2.6 2,-1.4 -2,-0.3 -14,-0.1 0.053 86.0 -80.9 99.2 155.4 59.5 -18.8 -16.4 92 92 A A + 0 0 22 -18,-0.2 2,-0.7 -2,-0.0 -1,-0.1 -0.535 65.2 151.5 -90.3 70.3 58.7 -17.2 -19.8 93 93 A N > - 0 0 78 -2,-1.4 4,-2.3 1,-0.2 5,-0.1 -0.912 28.5-165.6-109.1 103.1 57.2 -20.3 -21.6 94 94 A K H > S+ 0 0 89 -2,-0.7 4,-2.4 2,-0.2 5,-0.2 0.921 87.9 46.4 -54.4 -49.8 54.7 -19.2 -24.2 95 95 A E H > S+ 0 0 144 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.916 112.7 50.0 -67.1 -38.4 53.1 -22.7 -24.7 96 96 A K H > S+ 0 0 99 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.901 109.1 52.9 -66.6 -36.8 52.9 -23.3 -21.0 97 97 A L H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.970 115.7 38.5 -59.2 -51.6 51.2 -19.9 -20.5 98 98 A E H X S+ 0 0 41 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.891 114.9 54.0 -71.5 -35.9 48.5 -20.5 -23.1 99 99 A A H X S+ 0 0 42 -4,-2.9 4,-1.3 -5,-0.2 -1,-0.2 0.920 108.7 49.9 -61.3 -43.3 48.1 -24.2 -22.1 100 100 A T H X S+ 0 0 14 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.894 108.0 52.1 -66.8 -40.3 47.5 -23.2 -18.5 101 101 A I H X S+ 0 0 0 -4,-2.0 4,-1.5 1,-0.2 3,-0.3 0.941 112.1 47.4 -53.0 -47.6 44.9 -20.6 -19.6 102 102 A N H < S+ 0 0 97 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.670 111.6 51.2 -76.0 -11.3 43.2 -23.5 -21.5 103 103 A E H < S+ 0 0 146 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.779 120.4 31.7 -85.0 -31.3 43.5 -25.8 -18.5 104 104 A L H < 0 0 41 -4,-1.7 -2,-0.2 -3,-0.3 -3,-0.1 0.514 360.0 360.0-113.7 -6.4 41.9 -23.3 -16.0 105 105 A V < 0 0 108 -4,-1.5 -84,-0.1 -5,-0.1 -53,-0.1 -0.237 360.0 360.0 -67.9 360.0 39.3 -21.1 -17.7 106 !* 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 0.0 107 1 B M 0 0 149 0, 0.0 53,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 154.5 48.7 13.1 11.8 108 2 B V E -e 160 0B 8 51,-0.1 2,-0.5 53,-0.0 53,-0.2 -0.955 360.0-144.8-120.9 134.1 49.4 12.2 8.2 109 3 B K E -e 161 0B 104 51,-2.3 53,-1.8 -2,-0.4 2,-0.4 -0.909 15.2-133.1-104.0 128.0 47.6 9.3 6.3 110 4 B Q E -e 162 0B 63 -2,-0.5 2,-0.4 51,-0.2 53,-0.2 -0.591 22.4-161.4 -75.0 128.8 49.6 7.4 3.7 111 5 B I + 0 0 3 51,-2.9 53,-0.4 -2,-0.4 60,-0.1 -0.947 24.8 160.5-119.1 126.8 47.7 6.9 0.5 112 6 B E + 0 0 82 -2,-0.4 58,-2.2 1,-0.1 59,-0.5 0.607 58.5 58.2-111.9 -26.8 48.5 4.3 -2.1 113 7 B S S > S- 0 0 4 56,-0.2 4,-2.4 57,-0.2 5,-0.1 -0.808 70.8-130.6-116.1 150.2 45.3 3.9 -4.2 114 8 B K H > S+ 0 0 116 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.876 111.6 57.1 -57.4 -37.5 43.1 6.2 -6.4 115 9 B T H > S+ 0 0 55 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.932 109.4 42.6 -61.5 -49.2 40.2 4.7 -4.5 116 10 B A H > S+ 0 0 16 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.862 112.9 54.3 -67.4 -36.4 41.5 5.8 -1.1 117 11 B F H X S+ 0 0 23 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.962 111.2 44.5 -60.7 -49.2 42.6 9.2 -2.5 118 12 B Q H X S+ 0 0 96 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.880 112.1 52.6 -63.5 -42.2 39.1 9.9 -3.8 119 13 B E H X S+ 0 0 122 -4,-2.3 4,-2.7 -5,-0.2 -1,-0.2 0.904 109.2 50.2 -57.3 -42.5 37.6 8.7 -0.5 120 14 B A H X S+ 0 0 21 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.916 111.1 48.1 -64.1 -43.6 39.9 11.0 1.4 121 15 B L H < S+ 0 0 11 -4,-2.3 68,-0.3 1,-0.2 4,-0.2 0.889 114.7 46.0 -64.5 -41.3 38.9 14.0 -0.8 122 16 B D H >< S+ 0 0 110 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.910 112.7 49.5 -66.2 -40.5 35.2 13.2 -0.4 123 17 B A H 3< S+ 0 0 89 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.690 93.4 76.5 -77.5 -19.5 35.5 12.7 3.4 124 18 B A T >< S- 0 0 6 -4,-1.4 3,-2.3 1,-0.2 -1,-0.3 0.656 76.1-169.6 -62.4 -20.5 37.3 15.9 3.9 125 19 B G T < S- 0 0 39 -3,-1.3 63,-0.6 1,-0.3 -1,-0.2 -0.439 70.2 -21.0 64.9-124.5 34.0 17.9 3.5 126 20 B D T 3 S+ 0 0 107 -2,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.379 108.2 118.8 -95.3 2.8 35.1 21.5 3.2 127 21 B K S < S- 0 0 75 -3,-2.3 61,-0.4 1,-0.1 2,-0.2 -0.350 72.7-104.4 -72.4 146.5 38.5 21.1 4.8 128 22 B L - 0 0 1 29,-0.3 31,-2.9 59,-0.1 2,-0.4 -0.532 32.4-152.5 -61.9 140.1 41.7 21.9 3.0 129 23 B V E -fG 159 186B 2 57,-2.5 57,-2.7 29,-0.2 2,-0.4 -0.977 8.6-166.7-118.1 128.1 43.5 18.7 1.9 130 24 B V E -fG 160 185B 0 29,-2.9 31,-2.6 -2,-0.4 2,-0.4 -0.951 3.1-164.6-114.6 132.3 47.3 18.9 1.5 131 25 B V E -fG 161 184B 0 53,-2.6 53,-2.1 -2,-0.4 2,-0.7 -0.988 8.7-156.0-125.7 125.7 49.2 16.1 -0.3 132 26 B D E -fG 162 183B 1 29,-2.6 31,-2.7 -2,-0.4 2,-0.7 -0.900 6.4-161.5 -99.2 108.8 52.9 15.5 -0.2 133 27 B F E +fG 163 182B 13 49,-3.1 49,-2.2 -2,-0.7 2,-0.3 -0.889 27.2 168.3 -91.2 115.7 54.1 13.6 -3.2 134 28 B S E -f 164 0B 10 29,-2.5 31,-2.2 -2,-0.7 32,-0.4 -0.865 25.9-153.0-131.8 153.9 57.5 12.3 -2.1 135 29 B A > - 0 0 3 -2,-0.3 3,-1.5 29,-0.2 7,-0.2 -0.971 23.6-129.4-130.4 148.0 60.1 9.7 -3.4 136 30 B T T 3 S+ 0 0 95 -2,-0.3 -1,-0.1 1,-0.3 6,-0.1 0.751 108.4 58.5 -70.5 -17.2 62.7 7.7 -1.4 137 31 B W T 3 S+ 0 0 159 1,-0.0 2,-0.7 4,-0.0 -1,-0.3 0.500 86.2 96.7 -81.3 -3.9 65.5 8.9 -3.8 138 32 B c <> - 0 0 9 -3,-1.5 4,-1.6 1,-0.2 5,-0.2 -0.801 55.6-168.0 -99.9 117.3 64.7 12.4 -3.0 139 33 B G H > S+ 0 0 46 -2,-0.7 4,-2.1 1,-0.2 3,-0.3 0.953 89.2 46.0 -67.8 -55.4 67.0 14.0 -0.3 140 34 B P H > S+ 0 0 69 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.813 107.1 62.1 -58.1 -33.1 65.0 17.2 0.3 141 35 B c H > S+ 0 0 0 2,-0.2 4,-0.9 1,-0.2 -2,-0.2 0.927 106.2 43.0 -57.9 -49.3 61.8 15.1 0.4 142 36 B K H < S+ 0 0 154 -4,-1.6 3,-0.5 -3,-0.3 -1,-0.2 0.899 109.5 59.8 -71.2 -29.9 62.9 13.1 3.4 143 37 B M H < S+ 0 0 91 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.890 109.5 41.6 -57.8 -42.3 64.2 16.3 5.0 144 38 B I H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 3,-0.3 0.567 88.7 90.8 -84.7 -12.5 60.8 18.0 5.0 145 39 B K H X S+ 0 0 77 -4,-0.9 4,-2.5 -3,-0.5 5,-0.2 0.918 86.6 50.5 -54.0 -44.7 58.7 15.0 6.1 146 40 B P H > S+ 0 0 85 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.911 109.9 49.9 -63.0 -35.7 59.0 15.8 9.8 147 41 B F H > S+ 0 0 46 -4,-0.3 4,-2.8 -3,-0.3 5,-0.2 0.902 110.3 51.8 -65.9 -39.8 57.9 19.4 9.2 148 42 B F H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.935 109.6 49.3 -57.9 -46.5 55.0 18.1 7.2 149 43 B H H X S+ 0 0 66 -4,-2.5 4,-1.1 2,-0.2 -2,-0.2 0.881 111.8 48.5 -64.1 -37.3 54.0 15.8 10.1 150 44 B S H X S+ 0 0 59 -4,-2.0 4,-2.2 2,-0.2 3,-0.5 0.908 106.9 54.2 -71.3 -45.1 54.3 18.7 12.6 151 45 B L H X S+ 0 0 3 -4,-2.8 4,-3.0 1,-0.2 -1,-0.2 0.874 104.8 57.7 -49.8 -40.9 52.1 21.0 10.4 152 46 B S H < S+ 0 0 8 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.843 107.4 46.6 -62.8 -33.2 49.6 18.1 10.5 153 47 B E H < S+ 0 0 132 -4,-1.1 3,-0.3 -3,-0.5 -2,-0.2 0.851 116.6 44.1 -69.8 -39.4 49.6 18.3 14.4 154 48 B K H < S+ 0 0 129 -4,-2.2 2,-1.6 1,-0.2 -2,-0.2 0.964 111.5 51.1 -71.2 -55.2 49.2 22.1 14.3 155 49 B Y >< + 0 0 45 -4,-3.0 3,-2.0 1,-0.2 -1,-0.2 -0.524 66.5 167.7 -87.1 75.7 46.6 22.4 11.6 156 50 B S T 3 S+ 0 0 98 -2,-1.6 -1,-0.2 -3,-0.3 -2,-0.1 0.716 73.6 54.5 -62.8 -26.4 44.0 19.9 13.0 157 51 B N T 3 S+ 0 0 111 -3,-0.1 2,-0.4 2,-0.1 -29,-0.3 0.267 96.0 82.4 -93.8 10.4 41.2 21.0 10.7 158 52 B V S < S- 0 0 10 -3,-2.0 2,-0.5 -6,-0.2 -29,-0.2 -0.921 78.5-130.8-112.9 136.0 43.4 20.5 7.6 159 53 B I E - 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0 0 63 -2,-1.7 4,-2.5 1,-0.2 5,-0.1 -0.863 27.3-172.1-107.2 101.1 60.4 25.1 1.0 200 94 B K H > S+ 0 0 93 -2,-0.8 4,-2.3 2,-0.2 5,-0.2 0.907 85.4 48.2 -62.3 -46.6 59.1 25.0 4.6 201 95 B E H > S+ 0 0 158 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.911 114.3 47.6 -64.4 -38.8 58.1 28.7 4.7 202 96 B K H > S+ 0 0 94 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.881 109.5 53.6 -68.0 -41.1 56.3 28.4 1.3 203 97 B L H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.965 113.0 41.3 -60.4 -51.1 54.5 25.2 2.4 204 98 B E H X S+ 0 0 44 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.911 114.6 52.2 -64.0 -38.2 53.1 26.8 5.6 205 99 B A H X S+ 0 0 57 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.891 109.7 50.4 -64.0 -37.7 52.3 30.1 3.8 206 100 B T H X S+ 0 0 14 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.905 107.0 53.0 -70.8 -37.8 50.4 28.1 1.1 207 101 B I H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.955 111.4 47.9 -57.4 -48.0 48.4 26.2 3.7 208 102 B N H < S+ 0 0 84 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.837 113.5 46.7 -64.8 -33.3 47.4 29.6 5.2 209 103 B E H < S+ 0 0 141 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.940 118.7 39.6 -72.4 -41.1 46.4 31.1 1.8 210 104 B L H < 0 0 30 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.622 360.0 360.0 -94.6 -12.2 44.4 28.2 0.7 211 105 B V < 0 0 94 -4,-1.9 -84,-0.1 -5,-0.2 -24,-0.1 -0.294 360.0 360.0 -56.6 360.0 42.6 27.0 3.8