==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 09-MAY-13 4KND . COMPND 2 MOLECULE: THIOREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ANAEROMYXOBACTER DEHALOGENANS; . AUTHOR J.OSIPIUK,C.HATZOS-SKINTGES,S.CLANCY,A.JOACHIMIAK,MIDWEST CE . 209 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11033.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 167 79.9 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 13.4 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 . 30 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 28.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.9 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 1 2 0 1 0 0 0 1 1 0 0 0 1 1 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 5 A D 0 0 127 0, 0.0 2,-0.6 0, 0.0 52,-0.5 0.000 360.0 360.0 360.0 -22.5 -12.6 44.4 34.4 2 6 A V E -a 53 0A 32 50,-0.1 2,-0.3 52,-0.0 52,-0.3 -0.873 360.0-139.2-106.0 119.5 -8.9 45.3 34.0 3 7 A V E -a 54 0A 47 50,-2.9 52,-2.6 -2,-0.6 2,-0.6 -0.482 10.8-137.4 -78.5 131.4 -7.2 47.3 36.7 4 8 A V E -a 55 0A 95 -2,-0.3 52,-0.2 50,-0.2 2,-0.2 -0.770 26.6-150.7 -90.5 121.6 -4.8 50.1 35.7 5 9 A L - 0 0 1 50,-3.1 52,-0.4 -2,-0.6 2,-0.3 -0.512 14.0-166.7 -94.3 153.3 -1.6 49.9 37.8 6 10 A Q >> - 0 0 81 -2,-0.2 4,-1.2 50,-0.1 3,-0.9 -0.931 37.9-110.7-124.8 164.3 0.8 52.6 38.9 7 11 A D G >4 S+ 0 0 57 -2,-0.3 3,-0.6 1,-0.3 4,-0.4 0.906 121.5 50.2 -51.9 -43.7 4.2 52.3 40.5 8 12 A S G 34 S+ 0 0 102 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.749 116.5 39.6 -69.1 -22.7 2.7 53.6 43.8 9 13 A T G <> S+ 0 0 38 -3,-0.9 4,-2.4 1,-0.1 5,-0.2 0.461 88.1 93.4-107.4 -3.7 -0.2 51.1 43.7 10 14 A F H S+ 0 0 5 -4,-1.2 4,-2.7 -3,-0.6 5,-1.3 0.882 83.5 50.9 -61.7 -45.8 1.5 47.9 42.5 11 15 A E H 4>S+ 0 0 118 -4,-0.4 5,-1.8 3,-0.2 -1,-0.2 0.920 116.8 40.0 -56.2 -48.5 2.4 46.4 45.9 12 16 A Q H 45S+ 0 0 115 -4,-0.2 -2,-0.2 3,-0.2 -1,-0.2 0.915 121.9 39.8 -69.9 -45.8 -1.2 46.7 47.2 13 17 A E H <5S+ 0 0 57 -4,-2.4 -2,-0.2 2,-0.1 -1,-0.2 0.806 133.7 14.8 -74.3 -39.1 -3.0 45.7 44.0 14 18 A V T ><5S+ 0 0 3 -4,-2.7 3,-1.0 -5,-0.2 68,-0.4 0.838 126.4 42.9-109.3 -55.8 -0.7 42.9 42.9 15 19 A L T 3 - 0 0 0 -2,-0.2 3,-1.6 30,-0.2 6,-0.1 -0.954 33.6-113.2-150.5 157.3 2.8 50.6 25.9 28 32 A V T 3 S+ 0 0 96 -2,-0.3 6,-0.0 1,-0.3 29,-0.0 0.755 114.9 54.1 -66.8 -21.8 0.7 52.5 23.4 29 33 A W T 3 S+ 0 0 164 4,-0.0 2,-0.7 2,-0.0 -1,-0.3 0.442 82.9 105.3 -91.7 4.9 3.4 52.0 20.6 30 34 A a <> - 0 0 4 -3,-1.6 4,-0.8 1,-0.2 -3,-0.1 -0.750 46.4-172.7-104.7 108.4 3.5 48.2 20.9 31 35 A G H >> S+ 0 0 46 -2,-0.7 3,-1.0 2,-0.2 4,-0.9 0.924 86.2 50.2 -66.8 -45.2 1.8 46.4 18.1 32 36 A P H 3> S+ 0 0 71 0, 0.0 4,-1.6 0, 0.0 3,-0.2 0.828 102.4 64.4 -68.6 -24.0 2.1 42.8 19.5 33 37 A a H 3> S+ 0 0 4 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.875 99.6 52.2 -60.5 -36.1 0.6 44.2 22.7 34 38 A K H << S+ 0 0 119 -3,-1.0 -1,-0.2 -4,-0.8 -3,-0.1 0.745 105.2 56.0 -74.2 -24.7 -2.6 45.0 20.8 35 39 A A H < S+ 0 0 63 -4,-0.9 4,-0.3 -3,-0.2 -1,-0.2 0.835 114.8 37.3 -67.1 -38.7 -2.6 41.4 19.6 36 40 A I H >X S+ 0 0 2 -4,-1.6 4,-2.3 1,-0.2 3,-0.7 0.730 97.6 81.3 -87.7 -23.8 -2.5 40.0 23.2 37 41 A A H 3X S+ 0 0 33 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.869 88.6 52.2 -55.2 -42.0 -4.8 42.6 24.7 38 42 A P H 3> S+ 0 0 74 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.870 109.8 50.8 -65.8 -24.4 -8.0 41.0 23.6 39 43 A V H <> S+ 0 0 16 -3,-0.7 4,-2.9 -4,-0.3 -2,-0.2 0.910 109.9 50.5 -73.8 -41.7 -6.9 37.7 25.2 40 44 A V H X S+ 0 0 3 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.936 112.6 45.4 -60.3 -49.3 -6.1 39.6 28.4 41 45 A D H X S+ 0 0 90 -4,-2.6 4,-2.2 -5,-0.2 5,-0.2 0.938 112.2 52.7 -59.2 -43.6 -9.6 41.2 28.4 42 46 A D H X S+ 0 0 72 -4,-2.6 4,-3.2 1,-0.2 -2,-0.2 0.913 109.7 47.8 -61.4 -42.6 -11.1 37.8 27.6 43 47 A L H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.889 108.1 56.3 -62.4 -37.6 -9.3 36.2 30.5 44 48 A A H < S+ 0 0 3 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.892 114.3 38.7 -58.5 -43.5 -10.4 39.0 32.7 45 49 A A H >< S+ 0 0 50 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.927 116.7 50.9 -74.5 -43.7 -14.1 38.3 31.8 46 50 A R H 3< S+ 0 0 105 -4,-3.2 -2,-0.2 1,-0.3 3,-0.2 0.778 120.4 32.5 -66.4 -30.1 -13.7 34.5 31.8 47 51 A Y T >X S+ 0 0 30 -4,-2.2 4,-2.0 -5,-0.2 3,-1.6 0.035 74.2 140.1-118.2 28.7 -12.1 34.2 35.2 48 52 A K T <4 S+ 0 0 134 -3,-1.2 -1,-0.1 1,-0.3 -2,-0.1 0.793 75.5 43.1 -48.2 -40.1 -13.8 37.2 37.0 49 53 A G T 34 S+ 0 0 73 -3,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.872 124.6 32.2 -67.5 -32.2 -14.2 35.3 40.3 50 54 A K T <4 S+ 0 0 110 -3,-1.6 2,-0.4 1,-0.2 -2,-0.2 0.466 112.0 51.7-114.6 -11.3 -10.8 33.8 40.4 51 55 A L < - 0 0 9 -4,-2.0 2,-0.5 -7,-0.2 -30,-0.2 -0.994 58.5-147.3-141.3 129.0 -8.3 36.1 38.7 52 56 A K E - b 0 21A 50 -32,-2.6 -30,-2.6 -2,-0.4 2,-0.4 -0.817 20.2-159.6 -86.7 129.0 -7.4 39.8 39.0 53 57 A V E +ab 2 22A 3 -52,-0.5 -50,-2.9 -2,-0.5 2,-0.3 -0.969 18.2 164.7-116.7 132.6 -6.3 41.2 35.7 54 58 A A E -ab 3 23A 2 -32,-2.7 -30,-2.2 -2,-0.4 2,-0.3 -0.934 19.5-151.5-143.2 156.6 -4.2 44.4 35.7 55 59 A K E -ab 4 24A 71 -52,-2.6 -50,-3.1 -2,-0.3 2,-0.4 -0.961 1.5-157.0-138.9 154.0 -2.1 46.3 33.2 56 60 A X E - b 0 25A 0 -32,-2.3 -30,-2.5 -2,-0.3 2,-0.8 -0.969 14.4-141.8-137.7 117.4 0.9 48.6 33.4 57 61 A D E >> - b 0 26A 26 -2,-0.4 4,-2.3 -52,-0.4 3,-0.9 -0.682 14.2-154.2 -78.9 110.9 1.9 51.2 30.8 58 62 A V T 34 S+ 0 0 22 -32,-2.9 -1,-0.2 -2,-0.8 -31,-0.1 0.655 91.5 55.4 -70.7 -11.8 5.7 50.9 31.0 59 63 A D T 34 S+ 0 0 82 -33,-0.3 -1,-0.3 1,-0.1 3,-0.2 0.785 111.3 41.8 -86.8 -30.7 6.0 54.5 29.8 60 64 A Q T <4 S+ 0 0 136 -3,-0.9 2,-0.5 1,-0.2 -2,-0.2 0.783 126.0 33.3 -77.8 -34.2 3.9 55.9 32.5 61 65 A H < + 0 0 38 -4,-2.3 -1,-0.2 1,-0.1 -56,-0.0 -0.884 59.7 159.8-133.5 99.6 5.4 53.7 35.2 62 66 A Q > + 0 0 139 -2,-0.5 4,-1.3 -3,-0.2 5,-0.1 0.673 60.9 74.1 -98.3 -17.1 9.1 52.8 34.9 63 67 A G H > S+ 0 0 29 1,-0.2 4,-2.2 2,-0.2 3,-0.1 0.968 101.2 37.2 -62.2 -57.9 10.0 51.8 38.5 64 68 A V H > S+ 0 0 7 2,-0.2 4,-2.0 1,-0.2 6,-0.2 0.915 113.2 55.5 -66.7 -42.2 8.2 48.4 38.8 65 69 A P H 4>S+ 0 0 9 0, 0.0 5,-3.0 0, 0.0 -1,-0.2 0.862 110.4 49.3 -59.0 -31.1 8.9 47.2 35.2 66 70 A Q H ><5S+ 0 0 152 -4,-1.3 3,-1.5 3,-0.2 -2,-0.2 0.919 107.2 52.1 -71.4 -45.2 12.5 47.8 36.0 67 71 A Q H 3<5S+ 0 0 143 -4,-2.2 -1,-0.2 1,-0.2 -3,-0.1 0.792 112.0 48.2 -59.3 -31.7 12.5 45.9 39.3 68 72 A Y T 3<5S- 0 0 68 -4,-2.0 -1,-0.2 2,-0.1 -2,-0.2 0.284 114.1-116.1 -93.4 12.2 10.9 42.9 37.5 69 73 A G T < 5 + 0 0 53 -3,-1.5 2,-1.0 1,-0.2 -3,-0.2 0.807 46.1 175.8 62.9 33.6 13.4 42.9 34.7 70 74 A I < + 0 0 25 -5,-3.0 -1,-0.2 -6,-0.2 3,-0.1 -0.589 7.1 163.9 -77.4 103.5 10.8 43.7 32.0 71 75 A R + 0 0 194 -2,-1.0 2,-0.3 1,-0.2 -1,-0.2 0.813 59.0 12.9 -92.4 -37.4 13.1 44.1 29.0 72 76 A S S S- 0 0 62 2,-0.0 -1,-0.2 18,-0.0 18,-0.1 -0.899 85.0 -85.8-139.0 164.7 10.7 43.8 26.1 73 77 A I S S+ 0 0 28 -2,-0.3 2,-0.2 1,-0.2 -40,-0.2 -0.977 92.6 44.9-135.8 150.8 7.0 44.0 25.6 74 78 A P S S+ 0 0 3 0, 0.0 16,-3.4 0, 0.0 2,-0.4 0.351 73.7 156.4 -71.1 143.0 4.6 42.5 25.6 75 79 A T E -CD 25 89A 2 -50,-1.3 -50,-3.1 14,-0.2 2,-0.5 -0.996 20.1-166.7-129.4 136.2 5.5 40.7 28.8 76 80 A L E -CD 24 88A 0 12,-2.8 12,-3.6 -2,-0.4 2,-0.4 -0.972 1.5-162.4-124.6 130.6 2.9 39.3 31.1 77 81 A L E -CD 23 87A 3 -54,-2.7 -54,-3.2 -2,-0.5 2,-0.5 -0.924 7.4-152.8-112.6 133.1 3.5 38.1 34.6 78 82 A V E -CD 22 86A 0 8,-2.2 7,-3.2 -2,-0.4 8,-1.2 -0.931 20.9-168.1 -98.8 128.7 1.3 35.9 36.6 79 83 A F E +CD 21 84A 0 -58,-3.3 -58,-2.1 -2,-0.5 2,-0.3 -0.858 15.7 174.0-115.0 151.7 1.5 36.4 40.4 80 84 A K E > S- D 0 83A 101 3,-2.0 3,-1.9 -2,-0.3 -62,-0.1 -0.887 75.2 -7.4-157.8 125.4 0.2 34.5 43.4 81 85 A G T 3 S- 0 0 54 -64,-0.4 -66,-0.1 -2,-0.3 3,-0.1 0.765 129.5 -55.0 57.3 31.3 0.9 35.3 47.0 82 86 A G T 3 S+ 0 0 27 -68,-0.4 2,-0.3 1,-0.3 -1,-0.3 0.393 116.3 109.9 87.4 -5.0 3.4 38.0 46.0 83 87 A R E < S-D 80 0A 186 -3,-1.9 -3,-2.0 -68,-0.1 2,-0.6 -0.782 73.9-111.9-110.4 153.0 5.5 35.6 43.9 84 88 A V E -D 79 0A 60 -2,-0.3 -5,-0.3 -5,-0.2 3,-0.1 -0.704 26.6-176.8 -82.7 118.5 5.9 35.3 40.2 85 89 A V E - 0 0 45 -7,-3.2 2,-0.3 -2,-0.6 -1,-0.2 0.817 69.4 -15.1 -81.7 -38.5 4.3 32.1 38.8 86 90 A D E -D 78 0A 15 -8,-1.2 -8,-2.2 2,-0.0 2,-0.4 -0.974 52.9-137.6-162.3 159.4 5.4 32.6 35.3 87 91 A T E -D 77 0A 54 -2,-0.3 2,-0.7 -10,-0.2 -10,-0.2 -0.990 18.7-160.0-119.3 114.0 6.8 35.2 32.9 88 92 A V E -D 76 0A 0 -12,-3.6 -12,-2.8 -2,-0.4 2,-0.6 -0.878 6.2-160.5-103.1 118.8 5.3 35.2 29.4 89 93 A I E -D 75 0A 82 -2,-0.7 -14,-0.2 -14,-0.2 -16,-0.1 -0.865 57.5 -2.8-105.5 119.8 7.4 37.0 26.9 90 94 A G S S- 0 0 25 -16,-3.4 2,-2.1 -2,-0.6 -14,-0.2 -0.230 109.9 -48.6 89.9 176.2 5.7 38.1 23.8 91 95 A A S S+ 0 0 44 -18,-0.1 2,-1.5 -2,-0.1 3,-0.2 -0.318 73.3 160.3 -81.9 57.3 2.1 37.6 22.6 92 96 A D > - 0 0 42 -2,-2.1 4,-2.2 1,-0.2 5,-0.2 -0.659 15.5-179.1 -93.3 90.6 2.2 33.9 23.5 93 97 A K H > S+ 0 0 101 -2,-1.5 4,-2.5 1,-0.2 -1,-0.2 0.906 78.0 48.3 -56.6 -50.9 -1.5 33.2 23.8 94 98 A T H > S+ 0 0 82 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.944 112.3 46.7 -58.1 -50.7 -1.0 29.5 24.6 95 99 A R H > S+ 0 0 25 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.908 111.5 53.2 -59.7 -38.6 1.5 30.1 27.3 96 100 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.955 110.3 46.6 -62.5 -52.9 -0.6 32.8 28.8 97 101 A E H X S+ 0 0 31 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.929 114.3 48.3 -50.3 -49.6 -3.7 30.6 29.1 98 102 A D H X S+ 0 0 83 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.879 111.0 49.7 -65.2 -37.5 -1.6 27.8 30.5 99 103 A S H X S+ 0 0 3 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.917 109.2 51.0 -74.6 -38.9 0.1 30.0 33.1 100 104 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 5,-0.2 0.925 110.4 50.5 -52.0 -52.9 -3.1 31.5 34.3 101 105 A K H X S+ 0 0 118 -4,-2.2 4,-3.0 1,-0.2 -2,-0.2 0.868 107.8 53.7 -53.7 -46.5 -4.6 27.9 34.7 102 106 A K H < S+ 0 0 113 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.915 111.1 46.0 -56.0 -44.4 -1.6 26.9 36.7 103 107 A A H < S+ 0 0 3 -4,-1.9 -2,-0.2 1,-0.1 -1,-0.2 0.879 122.9 32.7 -66.6 -42.6 -2.0 29.7 39.1 104 108 A I H < 0 0 28 -4,-2.3 -2,-0.2 -5,-0.1 -3,-0.2 0.964 360.0 360.0 -75.2 -56.2 -5.7 29.3 39.6 105 109 A G < 0 0 114 -4,-3.0 -3,-0.1 -5,-0.2 -4,-0.1 0.747 360.0 360.0 16.6 360.0 -5.7 25.5 39.3 106 !* 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 5 B D 0 0 157 0, 0.0 52,-0.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 -33.5 21.4 10.0 22.5 108 6 B V E -e 159 0B 55 50,-0.1 2,-0.3 52,-0.0 52,-0.2 -0.982 360.0-152.9-126.5 118.6 23.0 13.5 23.3 109 7 B V E -e 160 0B 47 50,-2.5 52,-2.5 -2,-0.5 2,-0.5 -0.669 11.1-137.0 -85.2 143.2 25.0 15.5 20.8 110 8 B V E -e 161 0B 94 -2,-0.3 2,-0.2 50,-0.2 52,-0.2 -0.906 25.0-149.6 -99.4 125.6 27.6 18.0 21.8 111 9 B L - 0 0 0 50,-3.2 52,-0.4 -2,-0.5 2,-0.3 -0.559 14.8-171.7 -97.7 156.3 27.4 21.2 19.8 112 10 B Q >> - 0 0 91 -2,-0.2 4,-1.3 50,-0.1 3,-1.0 -0.918 38.8-109.6-136.0 158.7 30.1 23.7 18.7 113 11 B D H >> S+ 0 0 57 -2,-0.3 3,-0.7 1,-0.3 4,-0.6 0.933 120.0 52.2 -55.9 -49.5 29.6 27.1 17.0 114 12 B S H 34 S+ 0 0 103 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.728 117.1 39.4 -56.9 -23.8 31.0 25.8 13.8 115 13 B T H <> S+ 0 0 40 -3,-1.0 4,-2.7 1,-0.1 5,-0.3 0.554 88.0 92.3-106.3 -9.9 28.6 22.8 13.8 116 14 B F H S+ 0 0 5 -4,-1.3 4,-2.7 -3,-0.7 5,-1.1 0.887 85.1 51.0 -55.7 -46.5 25.4 24.5 15.1 117 15 B E H <>S+ 0 0 113 -4,-0.6 5,-1.8 3,-0.2 -1,-0.2 0.915 115.3 41.9 -57.2 -47.3 24.0 25.3 11.7 118 16 B Q H 45S+ 0 0 126 -4,-0.2 -2,-0.2 3,-0.2 -1,-0.2 0.944 122.5 37.6 -65.7 -47.0 24.4 21.7 10.4 119 17 B E H <5S+ 0 0 60 -4,-2.7 -2,-0.2 3,-0.1 -3,-0.2 0.858 133.1 18.1 -79.2 -37.3 23.2 19.9 13.5 120 18 B V T ><5S+ 0 0 2 -4,-2.7 3,-1.1 -5,-0.3 68,-0.4 0.882 127.1 39.3 -99.8 -63.6 20.4 22.2 14.7 121 19 B L T 3 - 0 0 0 -2,-0.3 3,-1.6 30,-0.2 6,-0.1 -0.977 31.7-116.1-148.3 154.7 28.2 25.3 32.0 134 32 B V T 3 S+ 0 0 99 -2,-0.3 6,-0.1 1,-0.3 -1,-0.0 0.780 114.0 55.1 -65.3 -25.4 30.1 23.1 34.4 135 33 B W T 3 S+ 0 0 162 1,-0.0 2,-0.7 4,-0.0 -1,-0.3 0.452 84.9 106.0 -83.7 1.4 29.8 25.7 37.2 136 34 B b <> - 0 0 4 -3,-1.6 4,-1.1 1,-0.2 -3,-0.1 -0.764 48.0-170.3 -98.3 110.2 26.0 25.9 36.9 137 35 B G H >> S+ 0 0 49 -2,-0.7 4,-1.4 1,-0.2 3,-0.6 0.917 86.8 47.5 -56.1 -58.7 23.9 24.2 39.7 138 36 B P H 3> S+ 0 0 73 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.782 103.6 64.8 -61.0 -27.9 20.4 24.4 38.2 139 37 B b H 3> S+ 0 0 6 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.906 101.7 50.0 -58.5 -41.6 21.8 23.1 34.9 140 38 B K H << S+ 0 0 121 -4,-1.1 -1,-0.2 -3,-0.6 -3,-0.1 0.866 108.0 53.2 -66.9 -36.5 22.6 19.9 36.8 141 39 B A H < S+ 0 0 69 -4,-1.4 4,-0.3 1,-0.2 -1,-0.2 0.812 113.4 42.3 -63.3 -35.7 19.1 19.8 38.2 142 40 B I H >X S+ 0 0 1 -4,-1.8 4,-1.8 1,-0.2 3,-0.8 0.702 95.1 83.7 -82.8 -21.3 17.6 20.1 34.6 143 41 B A H 3X S+ 0 0 33 -4,-1.5 4,-2.2 1,-0.3 -2,-0.2 0.865 87.9 50.3 -55.4 -41.3 20.1 17.6 33.1 144 42 B P H 3> S+ 0 0 64 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 0.821 107.3 54.5 -72.2 -22.9 18.2 14.5 34.1 145 43 B V H <> S+ 0 0 13 -3,-0.8 4,-2.5 -4,-0.3 -2,-0.2 0.909 107.7 50.7 -69.2 -42.7 14.9 15.9 32.6 146 44 B V H X S+ 0 0 6 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.937 111.7 47.7 -58.7 -48.6 16.8 16.4 29.3 147 45 B D H X S+ 0 0 85 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.918 109.9 52.1 -54.7 -50.6 18.1 12.7 29.5 148 46 B D H X S+ 0 0 106 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.917 110.8 48.5 -56.4 -45.0 14.6 11.5 30.2 149 47 B L H X S+ 0 0 7 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.935 109.0 52.1 -63.5 -41.3 13.2 13.5 27.1 150 48 B A H X S+ 0 0 4 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.870 113.8 45.1 -58.6 -36.6 16.0 12.0 24.9 151 49 B A H < S+ 0 0 44 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.859 112.3 51.2 -78.7 -34.2 14.9 8.5 26.1 152 50 B R H < S+ 0 0 168 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.939 123.2 27.3 -64.3 -46.3 11.2 9.2 25.7 153 51 B Y H >< S+ 0 0 19 -4,-2.4 3,-2.4 1,-0.2 -2,-0.2 0.614 80.6 169.3 -99.2 -19.6 11.4 10.4 22.1 154 52 B K G >< S+ 0 0 143 -4,-1.6 3,-1.7 -5,-0.3 -1,-0.2 -0.086 74.6 10.2 45.5-120.6 14.5 8.7 20.8 155 53 B G G 3 S+ 0 0 72 1,-0.3 -1,-0.3 3,-0.1 -2,-0.1 0.602 123.6 66.9 -60.2 -14.8 14.8 9.1 17.0 156 54 B K G < S+ 0 0 127 -3,-2.4 2,-0.4 1,-0.1 -1,-0.3 0.502 103.8 43.3 -86.7 -8.4 12.0 11.7 17.0 157 55 B L < - 0 0 10 -3,-1.7 2,-0.6 -7,-0.2 -30,-0.2 -0.997 69.2-145.5-145.1 126.1 14.0 14.3 18.9 158 56 B K E - f 0 127B 44 -32,-3.1 -30,-3.3 -2,-0.4 2,-0.5 -0.911 20.5-160.5 -92.4 127.3 17.6 15.4 18.6 159 57 B V E +ef 108 128B 2 -52,-0.6 -50,-2.5 -2,-0.6 2,-0.3 -0.944 17.6 170.2-117.0 124.7 18.9 16.3 22.0 160 58 B A E -ef 109 129B 0 -32,-3.3 -30,-2.5 -2,-0.5 2,-0.3 -0.916 21.3-150.9-137.5 157.4 22.0 18.5 22.1 161 59 B K E -ef 110 130B 76 -52,-2.5 -50,-3.2 -2,-0.3 2,-0.4 -0.969 2.6-164.0-134.5 144.9 24.1 20.4 24.6 162 60 B X E - f 0 131B 0 -32,-2.6 -30,-2.3 -2,-0.3 2,-0.7 -0.974 16.0-142.8-135.7 115.9 26.3 23.5 24.2 163 61 B D E >> - f 0 132B 35 -52,-0.4 4,-2.1 -2,-0.4 3,-1.2 -0.708 11.4-155.8 -80.7 110.2 28.9 24.5 26.8 164 62 B V T 34 S+ 0 0 25 -32,-2.7 -1,-0.2 -2,-0.7 -31,-0.1 0.652 90.4 57.7 -69.4 -17.0 28.6 28.3 27.0 165 63 B D T 34 S+ 0 0 82 -33,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.651 113.0 41.4 -81.0 -16.7 32.2 28.7 28.3 166 64 B Q T <4 S+ 0 0 132 -3,-1.2 2,-0.4 1,-0.3 -2,-0.2 0.798 122.7 35.1 -97.4 -34.3 33.5 26.9 25.2 167 65 B H < + 0 0 30 -4,-2.1 -1,-0.3 1,-0.1 -56,-0.0 -0.971 52.1 159.9-131.8 121.4 31.2 28.5 22.6 168 66 B Q > + 0 0 131 -2,-0.4 4,-2.2 -3,-0.1 5,-0.3 0.665 62.8 73.5-115.8 -21.8 30.0 32.1 22.6 169 67 B G H > S+ 0 0 44 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.976 102.7 40.2 -55.5 -60.7 28.9 32.9 19.0 170 68 B V H > S+ 0 0 7 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.880 113.6 53.6 -64.3 -42.2 25.7 30.9 19.0 171 69 B P H 4>S+ 0 0 8 0, 0.0 5,-3.3 0, 0.0 -1,-0.2 0.878 111.4 44.5 -63.9 -34.8 24.7 31.9 22.5 172 70 B Q H ><5S+ 0 0 169 -4,-2.2 3,-2.5 3,-0.2 -2,-0.2 0.960 110.1 56.0 -68.3 -46.0 25.0 35.7 21.8 173 71 B Q H 3<5S+ 0 0 133 -4,-2.5 -1,-0.2 -5,-0.3 -3,-0.1 0.818 114.7 38.5 -54.4 -33.5 23.2 35.2 18.6 174 72 B Y T 3<5S- 0 0 64 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.236 114.7-117.5 -98.8 10.6 20.3 33.6 20.5 175 73 B G T < 5 - 0 0 39 -3,-2.5 2,-1.0 1,-0.2 -3,-0.2 0.808 42.9-179.1 62.9 36.3 20.6 36.0 23.4 176 74 B I < + 0 0 24 -5,-3.3 -1,-0.2 -6,-0.2 3,-0.1 -0.582 12.6 158.2 -75.9 105.4 21.4 33.4 26.0 177 75 B R + 0 0 147 -2,-1.0 -1,-0.2 1,-0.2 4,-0.1 0.729 56.1 22.0 -89.4 -98.2 21.8 35.4 29.1 178 76 B S S S- 0 0 66 2,-0.1 -1,-0.2 1,-0.0 18,-0.1 -0.171 87.9 -98.1 -74.2 161.1 21.3 33.2 32.2 179 77 B I S S+ 0 0 24 1,-0.1 -40,-0.1 -3,-0.1 2,-0.1 -0.973 93.4 51.2-122.6 152.0 21.7 29.5 32.3 180 78 B P S S+ 0 0 3 0, 0.0 16,-2.9 0, 0.0 2,-0.4 0.389 71.2 154.8 -75.5 141.7 20.2 27.0 32.2 181 79 B T E -GH 131 195B 5 -50,-1.2 -50,-2.7 14,-0.2 2,-0.4 -0.992 20.4-167.7-129.0 138.9 18.4 28.1 29.1 182 80 B L E -GH 130 194B 0 12,-2.6 12,-3.7 -2,-0.4 2,-0.4 -0.985 1.7-162.0-129.6 128.8 17.0 25.5 26.7 183 81 B L E -GH 129 193B 3 -54,-2.3 -54,-3.1 -2,-0.4 2,-0.5 -0.942 8.7-150.5-110.6 137.4 15.7 26.1 23.2 184 82 B V E -GH 128 192B 0 8,-2.1 7,-3.7 -2,-0.4 8,-1.2 -0.907 21.4-169.5-100.8 126.3 13.5 23.9 21.2 185 83 B F E +GH 127 190B 0 -58,-3.1 -58,-2.5 -2,-0.5 2,-0.3 -0.861 12.7 175.6-113.2 148.2 14.1 24.2 17.5 186 84 B K E > S- H 0 189B 101 3,-2.8 3,-2.5 -2,-0.3 -62,-0.1 -0.932 73.3 -4.6-150.9 135.8 12.1 22.9 14.6 187 85 B G T 3 S- 0 0 51 -64,-0.4 -66,-0.1 -2,-0.3 3,-0.1 0.779 129.8 -59.9 56.1 26.8 12.7 23.5 10.8 188 86 B G T 3 S+ 0 0 23 -68,-0.4 2,-0.3 1,-0.3 -1,-0.3 0.520 116.5 111.2 78.5 11.3 15.5 25.8 11.9 189 87 B R E < S-H 186 0B 187 -3,-2.5 -3,-2.8 -68,-0.1 2,-0.5 -0.835 75.2-107.2-113.2 149.7 13.1 28.1 13.9 190 88 B V E -H 185 0B 62 -2,-0.3 -5,-0.3 -5,-0.2 3,-0.1 -0.660 30.4-177.5 -77.4 122.8 12.9 28.5 17.7 191 89 B V E - 0 0 47 -7,-3.7 2,-0.3 -2,-0.5 -6,-0.2 0.830 68.1 -14.9 -87.8 -39.1 9.7 26.8 19.0 192 90 B D E -H 184 0B 13 -8,-1.2 -8,-2.1 2,-0.0 2,-0.4 -0.976 53.2-139.8-162.4 160.5 10.2 27.9 22.6 193 91 B T E -H 183 0B 51 -2,-0.3 2,-0.7 -10,-0.2 -10,-0.2 -0.983 17.6-159.4-129.0 115.6 12.9 29.2 25.0 194 92 B V E -H 182 0B 0 -12,-3.7 -12,-2.6 -2,-0.4 2,-0.6 -0.871 4.7-162.4-106.6 113.0 12.9 27.8 28.5 195 93 B I E -H 181 0B 67 -2,-0.7 -14,-0.2 -14,-0.2 -16,-0.1 -0.868 57.5 -1.1 -99.4 125.5 14.6 29.9 31.0 196 94 B G S S- 0 0 24 -16,-2.9 2,-2.1 -2,-0.6 -14,-0.1 -0.181 109.1 -50.4 90.0 179.2 15.7 28.2 34.2 197 95 B A S S+ 0 0 45 -18,-0.1 2,-1.7 1,-0.1 3,-0.2 -0.333 72.5 159.2 -87.2 59.5 15.3 24.6 35.3 198 96 B D > - 0 0 40 -2,-2.1 4,-2.6 1,-0.2 5,-0.2 -0.587 15.6-179.0 -89.4 81.6 11.6 24.6 34.5 199 97 B K H > S+ 0 0 106 -2,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.863 78.1 48.7 -47.0 -44.6 11.0 20.9 34.2 200 98 B T H > S+ 0 0 78 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.958 112.2 45.8 -70.5 -46.7 7.3 21.3 33.3 201 99 B R H > S+ 0 0 27 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.916 112.7 51.5 -60.7 -42.9 7.7 24.0 30.6 202 100 B L H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 5,-0.2 0.945 111.1 47.4 -60.4 -48.7 10.6 22.0 29.0 203 101 B E H X S+ 0 0 60 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.921 115.1 46.6 -56.7 -43.6 8.6 18.8 28.9 204 102 B D H X S+ 0 0 75 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.921 110.8 50.8 -66.8 -45.4 5.6 20.7 27.4 205 103 B S H X S+ 0 0 4 -4,-3.2 4,-1.2 1,-0.2 -1,-0.2 0.874 110.8 48.7 -63.9 -39.1 7.6 22.7 24.8 206 104 B V H X S+ 0 0 1 -4,-2.2 4,-1.4 -5,-0.2 3,-0.4 0.932 109.8 53.7 -61.3 -46.3 9.3 19.5 23.5 207 105 B K H >< S+ 0 0 97 -4,-1.9 3,-0.5 1,-0.2 -2,-0.2 0.912 105.4 51.8 -57.3 -46.3 5.9 17.8 23.3 208 106 B K H 3< S+ 0 0 111 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.830 105.9 55.3 -68.6 -23.9 4.4 20.5 21.2 209 107 B A H 3< 0 0 3 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.789 360.0 360.0 -75.6 -27.3 7.3 20.3 18.7 210 108 B I << 0 0 68 -4,-1.4 -2,-0.2 -3,-0.5 -1,-0.2 0.812 360.0 360.0 -84.3 360.0 6.6 16.6 18.2