==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 16-JAN-08 2VLV . COMPND 2 MOLECULE: THIOREDOXIN H ISOFORM 2.; . SOURCE 2 ORGANISM_SCIENTIFIC: HORDEUM VULGARE VAR. DISTICHUM; . AUTHOR K.MAEDA,P.HAGGLUND,C.FINNIE,B.SVENSSON,A.HENRIKSEN . 224 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11612.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 79.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 12.5 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 . 31 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 34.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.8 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 0 0 0 2 2 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 12 A A 0 0 71 0, 0.0 2,-0.3 0, 0.0 51,-0.1 0.000 360.0 360.0 360.0 151.9 -5.7 -0.3 19.5 2 13 A E - 0 0 140 47,-0.1 2,-0.4 51,-0.1 55,-0.4 -0.812 360.0-103.2-122.3 158.1 -2.5 -1.9 18.0 3 14 A V - 0 0 34 -2,-0.3 2,-0.7 53,-0.1 55,-0.2 -0.686 36.6-139.1 -76.9 128.2 1.0 -2.8 19.2 4 15 A I E -a 58 0A 63 53,-2.8 55,-2.4 -2,-0.4 2,-0.4 -0.829 8.8-147.5 -95.7 115.3 3.5 -0.3 17.9 5 16 A S E -a 59 0A 42 -2,-0.7 2,-0.6 53,-0.2 55,-0.2 -0.708 10.1-151.2 -81.3 127.8 6.7 -1.8 16.7 6 17 A V E +a 60 0A 2 53,-2.7 55,-0.5 -2,-0.4 59,-0.1 -0.909 22.4 169.5-107.5 116.3 9.7 0.5 17.4 7 18 A H + 0 0 96 -2,-0.6 2,-0.3 53,-0.1 -1,-0.1 0.339 59.3 32.5-112.8 3.7 12.6 0.1 14.9 8 19 A S S > S- 0 0 34 1,-0.1 4,-2.3 57,-0.1 5,-0.1 -0.979 77.0-111.6-152.6 162.5 14.8 3.1 15.6 9 20 A L H > S+ 0 0 87 -2,-0.3 4,-2.8 2,-0.2 5,-0.2 0.864 119.8 55.9 -63.2 -36.4 16.0 5.3 18.5 10 21 A E H > S+ 0 0 144 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.938 108.5 46.4 -59.7 -47.7 14.1 8.2 16.9 11 22 A Q H > S+ 0 0 73 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.902 112.4 50.7 -62.3 -42.5 10.9 6.1 17.0 12 23 A W H X S+ 0 0 17 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.952 111.2 48.2 -56.6 -53.1 11.6 5.1 20.6 13 24 A T H X S+ 0 0 73 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.906 112.6 48.5 -55.9 -47.0 12.1 8.7 21.6 14 25 A M H X S+ 0 0 71 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.894 113.1 46.5 -62.9 -44.3 8.9 9.8 19.9 15 26 A Q H X S+ 0 0 41 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.921 115.5 45.6 -65.5 -45.2 6.7 7.1 21.4 16 27 A I H X S+ 0 0 18 -4,-2.7 4,-2.7 -5,-0.2 -2,-0.2 0.926 114.3 46.8 -66.0 -46.0 8.1 7.7 24.9 17 28 A E H X S+ 0 0 107 -4,-2.7 4,-2.1 -5,-0.3 -1,-0.2 0.901 113.3 49.2 -66.0 -37.1 7.8 11.5 24.8 18 29 A E H X S+ 0 0 117 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.881 113.8 46.3 -67.2 -39.8 4.3 11.4 23.4 19 30 A A H <>S+ 0 0 1 -4,-2.0 5,-2.3 2,-0.2 4,-0.4 0.907 111.7 51.6 -66.5 -43.5 3.2 8.9 26.1 20 31 A N H ><5S+ 0 0 48 -4,-2.7 3,-0.7 3,-0.2 -2,-0.2 0.875 108.9 50.4 -62.2 -39.7 4.9 10.9 28.8 21 32 A T H 3<5S+ 0 0 119 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.902 113.6 45.0 -62.8 -43.4 3.1 14.1 27.7 22 33 A A T 3<5S- 0 0 60 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.447 109.6-130.1 -78.8 -2.1 -0.3 12.3 27.7 23 34 A K T < 5 + 0 0 133 -3,-0.7 2,-0.3 -4,-0.4 -3,-0.2 0.812 55.0 149.9 55.1 37.1 0.7 10.7 31.1 24 35 A K < - 0 0 77 -5,-2.3 61,-0.4 -6,-0.1 -1,-0.2 -0.721 52.0 -99.1-106.0 152.5 -0.1 7.2 30.0 25 36 A L - 0 0 7 -2,-0.3 31,-2.8 29,-0.2 2,-0.5 -0.355 32.1-154.6 -60.0 136.6 1.2 3.8 30.9 26 37 A V E -bC 56 83A 1 57,-2.9 57,-2.9 29,-0.2 2,-0.5 -0.984 7.4-169.4-114.8 127.4 3.8 2.3 28.5 27 38 A V E -bC 57 82A 0 29,-2.7 31,-2.9 -2,-0.5 2,-0.5 -0.985 9.3-163.4-115.1 122.6 4.1 -1.5 28.3 28 39 A I E -bC 58 81A 0 53,-2.7 53,-2.5 -2,-0.5 2,-0.8 -0.931 11.6-153.5-114.6 122.5 7.1 -2.7 26.3 29 40 A D E -bC 59 80A 4 29,-3.2 31,-2.8 -2,-0.5 2,-0.7 -0.848 11.6-156.2 -89.8 107.8 7.6 -6.2 25.0 30 41 A F E +bC 60 79A 0 49,-3.3 49,-1.6 -2,-0.8 2,-0.2 -0.815 32.2 165.4 -84.9 116.3 11.4 -6.8 24.7 31 42 A T E -b 61 0A 15 29,-3.0 31,-2.6 -2,-0.7 32,-0.3 -0.705 34.2-149.5-131.9 169.7 11.6 -9.5 22.1 32 43 A A > - 0 0 3 -2,-0.2 3,-0.8 29,-0.2 6,-0.2 -0.986 22.0-133.3-144.3 142.9 13.8 -11.5 19.6 33 44 A S T 3 S+ 0 0 86 -2,-0.3 -1,-0.1 1,-0.2 6,-0.0 0.820 108.8 48.1 -62.4 -34.9 12.9 -13.1 16.3 34 45 A W T 3 S+ 0 0 157 -3,-0.1 2,-0.5 4,-0.0 -1,-0.2 0.583 88.3 107.0 -81.5 -12.9 14.7 -16.4 17.2 35 46 A a <> - 0 0 7 -3,-0.8 4,-0.9 1,-0.1 -3,-0.2 -0.589 54.1-161.9 -78.5 116.6 13.0 -16.6 20.7 36 47 A G H >> S+ 0 0 31 -2,-0.5 4,-1.5 1,-0.2 3,-1.1 0.946 90.2 50.3 -60.6 -56.6 10.3 -19.3 20.9 37 48 A P H 3> S+ 0 0 64 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.787 105.1 61.2 -50.8 -31.5 8.5 -17.9 24.1 38 49 A a H 3> S+ 0 0 4 2,-0.2 4,-0.8 1,-0.2 -2,-0.2 0.814 102.8 49.7 -67.2 -33.5 8.4 -14.5 22.3 39 50 A R H << S+ 0 0 148 -3,-1.1 3,-0.2 -4,-0.9 -1,-0.2 0.864 109.2 52.7 -70.2 -39.2 6.3 -16.1 19.5 40 51 A I H X S+ 0 0 91 -4,-1.5 4,-0.5 1,-0.2 -2,-0.2 0.882 112.3 44.7 -61.6 -40.7 4.0 -17.6 22.1 41 52 A M H X S+ 0 0 0 -4,-1.8 4,-2.9 1,-0.2 5,-0.3 0.619 89.8 86.5 -83.9 -15.8 3.4 -14.2 23.8 42 53 A A H X S+ 0 0 51 -4,-0.8 4,-2.4 1,-0.2 -1,-0.2 0.922 93.9 41.7 -53.0 -52.8 2.9 -12.2 20.7 43 54 A P H > S+ 0 0 82 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.868 114.5 52.8 -62.1 -36.7 -0.9 -12.9 20.4 44 55 A V H X S+ 0 0 26 -4,-0.5 4,-2.0 2,-0.2 -2,-0.2 0.921 112.1 45.1 -63.2 -44.8 -1.3 -12.4 24.2 45 56 A F H X S+ 0 0 3 -4,-2.9 4,-1.7 2,-0.2 -1,-0.2 0.897 113.3 49.6 -66.4 -43.4 0.4 -9.0 24.1 46 57 A A H X S+ 0 0 35 -4,-2.4 4,-1.4 -5,-0.3 -2,-0.2 0.871 109.5 52.6 -64.0 -39.1 -1.5 -7.9 21.0 47 58 A D H X S+ 0 0 67 -4,-2.3 4,-1.7 1,-0.2 3,-0.3 0.918 108.2 50.3 -61.7 -45.3 -4.8 -9.0 22.7 48 59 A L H X S+ 0 0 3 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.846 105.0 58.1 -62.5 -35.9 -4.0 -6.9 25.8 49 60 A A H < S+ 0 0 0 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.867 107.5 46.6 -61.8 -39.0 -3.2 -3.9 23.6 50 61 A K H < S+ 0 0 111 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.862 112.7 50.6 -68.7 -36.8 -6.8 -4.0 22.1 51 62 A K H < S+ 0 0 130 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.662 115.6 41.9 -76.4 -19.6 -8.3 -4.4 25.6 52 63 A F >< + 0 0 59 -4,-1.3 3,-1.5 -5,-0.1 -1,-0.2 -0.598 59.9 161.4-131.2 72.1 -6.4 -1.4 27.0 53 64 A P T 3 S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 -51,-0.1 0.642 71.3 69.3 -69.8 -14.4 -6.4 1.5 24.5 54 65 A N T 3 S+ 0 0 132 -3,-0.1 2,-0.3 2,-0.1 -29,-0.2 0.647 96.5 62.7 -75.9 -16.9 -5.5 4.0 27.2 55 66 A A S < S- 0 0 8 -3,-1.5 2,-0.5 -6,-0.2 -29,-0.2 -0.776 84.8-122.8-107.5 155.6 -2.1 2.5 27.5 56 67 A V E - b 0 26A 11 -31,-2.8 -29,-2.7 -2,-0.3 2,-0.6 -0.872 19.7-157.9-101.7 123.7 0.7 2.3 24.8 57 68 A F E - b 0 27A 3 -2,-0.5 -53,-2.8 -55,-0.4 2,-0.3 -0.899 14.3-172.6-106.6 115.8 2.0 -1.1 23.9 58 69 A L E -ab 4 28A 0 -31,-2.9 -29,-3.2 -2,-0.6 2,-0.5 -0.814 15.1-151.7-112.0 146.4 5.4 -1.1 22.3 59 70 A K E -ab 5 29A 89 -55,-2.4 -53,-2.7 -2,-0.3 2,-0.4 -0.978 15.4-176.4-116.8 127.4 7.5 -3.9 20.7 60 71 A V E -ab 6 30A 0 -31,-2.8 -29,-3.0 -2,-0.5 2,-0.6 -0.986 19.9-144.0-127.8 124.1 11.3 -3.7 20.8 61 72 A D E >> - b 0 31A 38 -55,-0.5 4,-2.7 -2,-0.4 3,-0.8 -0.779 11.7-148.6 -85.8 118.8 13.7 -6.2 19.2 62 73 A V T 34 S+ 0 0 14 -31,-2.6 7,-0.2 -2,-0.6 -1,-0.1 0.713 98.0 49.2 -63.7 -23.8 16.7 -6.5 21.5 63 74 A D T 34 S+ 0 0 83 -32,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.733 114.2 45.9 -83.2 -26.2 19.0 -7.1 18.5 64 75 A E T <4 S+ 0 0 98 -3,-0.8 2,-0.4 1,-0.2 -2,-0.2 0.880 123.5 30.3 -83.4 -42.6 17.7 -4.1 16.6 65 76 A L >X + 0 0 7 -4,-2.7 4,-1.9 1,-0.2 3,-0.6 -0.598 68.4 163.1-120.6 69.5 17.7 -1.5 19.4 66 77 A K H 3> S+ 0 0 116 -2,-0.4 4,-3.3 -3,-0.4 5,-0.2 0.863 71.3 58.4 -57.3 -43.9 20.6 -2.6 21.7 67 78 A P H 3> S+ 0 0 66 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.863 108.8 46.9 -56.5 -36.1 20.9 0.7 23.6 68 79 A I H <> S+ 0 0 6 -3,-0.6 4,-1.3 2,-0.2 -2,-0.2 0.913 113.5 46.6 -73.1 -43.9 17.3 0.4 24.8 69 80 A A H <>S+ 0 0 6 -4,-1.9 5,-2.3 1,-0.2 3,-0.4 0.941 115.6 47.4 -57.7 -46.3 17.7 -3.2 25.8 70 81 A E H ><5S+ 0 0 119 -4,-3.3 3,-1.5 1,-0.2 -2,-0.2 0.877 103.7 61.9 -64.7 -40.1 20.9 -2.3 27.6 71 82 A Q H 3<5S+ 0 0 116 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.866 113.6 35.1 -50.8 -42.7 19.3 0.7 29.3 72 83 A F T 3<5S- 0 0 22 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.236 112.2-116.4-102.1 11.9 16.9 -1.6 31.1 73 84 A S T < 5 + 0 0 93 -3,-1.5 2,-0.7 1,-0.2 -3,-0.2 0.924 48.9 174.5 52.3 52.3 19.3 -4.5 31.6 74 85 A V < + 0 0 5 -5,-2.3 -1,-0.2 1,-0.2 3,-0.1 -0.826 23.2 137.7 -94.7 111.4 17.3 -6.9 29.4 75 86 A E + 0 0 168 -2,-0.7 2,-0.4 1,-0.1 -1,-0.2 0.328 59.2 69.5-129.4 -5.9 19.1 -10.2 28.9 76 87 A A S S- 0 0 47 -3,-0.2 18,-0.1 18,-0.0 -46,-0.1 -0.942 83.9-111.7-115.3 140.5 16.1 -12.5 29.3 77 88 A M S S+ 0 0 40 -2,-0.4 18,-0.2 1,-0.2 -46,-0.1 -0.986 88.4 27.6-135.1 143.0 13.3 -12.7 26.7 78 89 A P S S+ 0 0 0 0, 0.0 16,-3.2 0, 0.0 2,-0.5 0.515 75.3 172.6 -77.0 144.7 10.5 -12.0 26.6 79 90 A T E -CD 30 93A 2 -49,-1.6 -49,-3.3 14,-0.2 2,-0.6 -0.988 16.7-158.5-114.3 126.4 10.7 -9.2 29.1 80 91 A F E -CD 29 92A 0 12,-3.3 12,-2.5 -2,-0.5 2,-0.4 -0.943 12.1-164.7-105.9 119.3 7.6 -7.0 29.6 81 92 A L E -CD 28 91A 0 -53,-2.5 -53,-2.7 -2,-0.6 2,-0.5 -0.870 7.8-152.9-109.5 135.3 8.5 -3.6 31.1 82 93 A F E +CD 27 90A 0 8,-2.7 7,-3.3 -2,-0.4 8,-1.1 -0.932 21.0 171.9-109.9 126.6 6.0 -1.2 32.6 83 94 A M E +CD 26 88A 11 -57,-2.9 -57,-2.9 -2,-0.5 2,-0.4 -0.998 12.5 178.3-140.5 135.5 6.8 2.5 32.6 84 95 A K E > S- D 0 87A 46 3,-2.4 3,-1.7 -2,-0.4 -59,-0.1 -0.973 73.7 -18.0-140.7 121.7 4.9 5.7 33.5 85 96 A E T 3 S- 0 0 90 -61,-0.4 3,-0.1 -2,-0.4 -1,-0.1 0.853 129.2 -46.1 51.1 44.8 6.3 9.2 33.3 86 97 A G T 3 S+ 0 0 49 1,-0.2 2,-0.4 -70,-0.1 -1,-0.3 0.238 116.1 107.4 91.5 -11.1 9.9 8.1 33.3 87 98 A D E < -D 84 0A 97 -3,-1.7 -3,-2.4 2,-0.0 2,-0.4 -0.856 69.3-125.9-107.8 133.0 9.6 5.5 36.1 88 99 A V E +D 83 0A 55 -2,-0.4 27,-0.4 -5,-0.2 -5,-0.3 -0.620 27.6 179.3 -71.2 126.0 9.7 1.7 35.8 89 100 A K E - 0 0 43 -7,-3.3 2,-0.3 -2,-0.4 -6,-0.2 0.700 57.7 -18.7-102.2 -27.7 6.6 0.4 37.5 90 101 A D E -D 82 0A 27 -8,-1.1 -8,-2.7 2,-0.0 -1,-0.3 -0.978 50.0-145.1-170.3 166.7 6.9 -3.3 37.0 91 102 A R E -D 81 0A 86 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.983 2.6-164.1-147.7 138.5 8.6 -6.1 35.0 92 103 A V E -D 80 0A 0 -12,-2.5 -12,-3.3 -2,-0.3 2,-0.5 -0.997 12.6-162.0-121.7 125.9 7.4 -9.6 33.8 93 104 A V E +D 79 0A 72 -2,-0.4 -14,-0.2 -14,-0.2 2,-0.1 -0.944 51.5 3.6-115.5 121.5 10.1 -12.0 32.7 94 105 A G S S- 0 0 20 -16,-3.2 2,-1.8 -2,-0.5 -14,-0.1 -0.349 104.8 -46.8 101.6 177.6 9.2 -15.1 30.5 95 106 A A S S+ 0 0 43 -18,-0.2 2,-0.9 -2,-0.1 -1,-0.1 -0.431 74.6 147.7 -84.6 63.0 6.1 -16.4 28.9 96 107 A I > + 0 0 65 -2,-1.8 4,-2.2 1,-0.2 5,-0.2 -0.790 21.0 179.7-103.3 92.4 3.9 -16.0 32.0 97 108 A K H > S+ 0 0 90 -2,-0.9 4,-2.2 1,-0.2 -1,-0.2 0.867 77.9 48.3 -61.7 -43.3 0.4 -15.2 30.5 98 109 A E H > S+ 0 0 151 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.880 112.6 47.8 -67.3 -41.1 -1.4 -14.8 33.8 99 110 A E H > S+ 0 0 66 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.895 112.4 48.7 -68.6 -42.9 1.2 -12.5 35.4 100 111 A L H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.937 113.0 48.2 -60.7 -47.8 1.4 -10.2 32.4 101 112 A T H X S+ 0 0 64 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.909 112.4 48.2 -59.6 -46.1 -2.4 -10.0 32.2 102 113 A A H X S+ 0 0 65 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.897 112.3 48.3 -63.0 -42.4 -2.8 -9.2 35.9 103 114 A K H X S+ 0 0 41 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.814 108.8 52.6 -73.2 -32.5 -0.1 -6.5 35.9 104 115 A V H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.932 110.7 49.0 -63.7 -45.6 -1.5 -4.8 32.8 105 116 A G H X S+ 0 0 33 -4,-2.0 4,-0.6 1,-0.2 -2,-0.2 0.854 113.2 48.0 -59.9 -37.5 -4.9 -4.7 34.6 106 117 A L H < S+ 0 0 57 -4,-1.8 14,-0.2 1,-0.2 -1,-0.2 0.905 119.3 35.4 -69.8 -44.6 -3.2 -3.3 37.7 107 118 A H H < S+ 0 0 16 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.706 110.4 59.0 -89.7 -21.6 -1.2 -0.5 36.1 108 119 A A H < S+ 0 0 22 -4,-2.3 -1,-0.2 -5,-0.2 -3,-0.1 0.658 88.3 91.7 -83.8 -16.8 -3.6 0.6 33.3 109 120 A A S < S- 0 0 36 -4,-0.6 2,-0.1 -5,-0.2 11,-0.1 -0.191 96.0 -72.8 -71.6 166.9 -6.4 1.6 35.6 110 121 A A 0 0 72 1,-0.1 -1,-0.2 10,-0.0 10,-0.1 -0.393 360.0 360.0 -60.7 135.6 -6.9 5.1 37.1 111 122 A Q 0 0 92 -3,-0.1 -1,-0.1 -2,-0.1 8,-0.1 -0.329 360.0 360.0-111.3 360.0 -4.3 5.8 39.8 112 !* 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 9 B A 0 0 161 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 136.1 14.6 -3.4 42.1 114 10 B V - 0 0 81 1,-0.1 -25,-0.1 -23,-0.1 2,-0.1 -0.697 360.0-114.6 -94.3 140.3 11.2 -1.6 41.6 115 11 B A - 0 0 71 -27,-0.4 2,-0.2 -2,-0.3 50,-0.1 -0.398 34.4-105.5 -70.1 146.8 9.9 1.0 44.0 116 12 B A - 0 0 34 49,-0.3 2,-0.3 48,-0.1 -1,-0.1 -0.483 41.7-163.9 -74.9 144.4 6.7 0.3 46.0 117 13 B E - 0 0 74 -2,-0.2 55,-0.4 47,-0.1 2,-0.2 -0.866 25.7 -96.7-131.0 158.2 3.6 2.1 44.9 118 14 B V - 0 0 21 -2,-0.3 2,-0.6 53,-0.1 55,-0.2 -0.542 38.7-135.7 -67.5 136.9 0.1 3.0 46.1 119 15 B I E -e 173 0B 31 53,-2.9 55,-2.7 -2,-0.2 2,-0.8 -0.898 9.0-144.3-101.4 120.9 -2.5 0.5 44.8 120 16 B S E -e 174 0B 7 -2,-0.6 2,-0.6 -14,-0.2 55,-0.2 -0.757 14.8-153.2 -88.3 110.5 -5.7 2.1 43.5 121 17 B V E +e 175 0B 1 53,-2.5 55,-0.5 -2,-0.8 59,-0.1 -0.755 25.0 164.8 -93.7 120.4 -8.6 -0.2 44.4 122 18 B H + 0 0 47 -2,-0.6 2,-0.3 53,-0.1 -1,-0.1 0.474 58.3 37.2-115.1 -6.6 -11.6 0.0 42.0 123 19 B S S > S- 0 0 37 1,-0.1 4,-2.2 57,-0.1 5,-0.1 -0.957 74.3-117.8-143.7 160.8 -13.7 -3.0 42.9 124 20 B L H > S+ 0 0 78 -2,-0.3 4,-2.6 2,-0.2 5,-0.1 0.829 117.7 57.5 -65.8 -32.4 -14.8 -5.2 45.8 125 21 B E H > S+ 0 0 142 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.915 108.0 45.3 -62.7 -44.5 -13.0 -8.1 44.1 126 22 B Q H > S+ 0 0 42 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.875 111.6 52.8 -68.7 -39.0 -9.7 -6.0 44.1 127 23 B W H X S+ 0 0 22 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.964 109.8 48.7 -55.7 -54.1 -10.3 -5.0 47.7 128 24 B T H X S+ 0 0 69 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.897 111.7 49.2 -54.8 -47.3 -10.8 -8.6 48.8 129 25 B M H X S+ 0 0 78 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.918 112.2 47.2 -59.5 -49.5 -7.6 -9.8 46.9 130 26 B Q H X S+ 0 0 22 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.919 115.5 44.3 -61.2 -46.6 -5.4 -7.0 48.4 131 27 B I H X S+ 0 0 19 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.912 113.1 51.7 -67.4 -43.6 -6.6 -7.6 52.0 132 28 B E H X S+ 0 0 121 -4,-2.6 4,-2.2 -5,-0.3 -2,-0.2 0.933 112.9 44.4 -54.8 -51.4 -6.3 -11.4 51.7 133 29 B E H X S+ 0 0 111 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.844 114.1 49.5 -67.3 -37.1 -2.8 -11.3 50.4 134 30 B A H <>S+ 0 0 3 -4,-2.1 5,-2.6 -5,-0.2 4,-0.4 0.919 110.8 50.8 -64.1 -45.2 -1.7 -8.7 53.0 135 31 B N H ><5S+ 0 0 54 -4,-2.7 3,-0.7 1,-0.2 -2,-0.2 0.874 109.4 49.5 -62.0 -40.9 -3.3 -10.8 55.8 136 32 B T H 3<5S+ 0 0 122 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.862 114.8 45.1 -65.6 -36.0 -1.5 -13.9 54.7 137 33 B A T 3<5S- 0 0 52 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.461 109.6-128.0 -84.2 -1.7 1.8 -11.9 54.6 138 34 B K T < 5 + 0 0 126 -3,-0.7 2,-0.3 -4,-0.4 -3,-0.2 0.899 53.9 160.2 51.2 46.9 0.9 -10.4 58.0 139 35 B K < - 0 0 88 -5,-2.6 61,-0.5 -6,-0.1 -1,-0.2 -0.737 46.4-109.7-100.4 144.9 1.5 -6.9 56.6 140 36 B L - 0 0 7 -2,-0.3 31,-3.0 59,-0.1 2,-0.5 -0.489 32.0-153.9 -63.9 136.9 0.3 -3.6 57.8 141 37 B V E -fG 171 198B 2 57,-3.3 57,-3.1 29,-0.2 2,-0.5 -0.984 9.3-169.4-116.0 126.7 -2.3 -2.1 55.4 142 38 B V E -fG 172 197B 0 29,-2.8 31,-2.6 -2,-0.5 2,-0.5 -0.978 9.6-163.6-115.0 119.2 -2.8 1.7 55.2 143 39 B I E -fG 173 196B 0 53,-2.7 53,-2.4 -2,-0.5 2,-0.8 -0.900 10.9-152.3-109.2 126.0 -5.9 2.8 53.3 144 40 B D E -fG 174 195B 4 29,-3.2 31,-2.7 -2,-0.5 2,-0.7 -0.858 10.7-157.6 -93.3 107.2 -6.5 6.3 52.0 145 41 B F E +fG 175 194B 0 49,-3.3 49,-1.7 -2,-0.8 2,-0.2 -0.799 30.7 165.2 -86.3 114.1 -10.2 6.9 51.8 146 42 B T E -f 176 0B 13 29,-2.7 31,-2.4 -2,-0.7 32,-0.3 -0.703 33.9-149.1-129.7 167.7 -10.6 9.7 49.3 147 43 B A > - 0 0 2 -2,-0.2 3,-1.3 29,-0.2 6,-0.1 -0.990 21.6-134.2-139.9 144.2 -13.0 11.6 47.0 148 44 B S T 3 S+ 0 0 90 -2,-0.3 -1,-0.1 1,-0.3 6,-0.0 0.764 106.3 54.8 -67.0 -26.2 -12.2 13.3 43.7 149 45 B W T 3 S+ 0 0 159 -3,-0.0 2,-0.5 4,-0.0 -1,-0.3 0.308 87.9 105.6 -88.3 7.4 -14.1 16.5 44.7 150 46 B b <> - 0 0 7 -3,-1.3 4,-0.9 1,-0.1 -3,-0.1 -0.807 52.6-162.7-104.1 123.1 -12.0 16.9 47.8 151 47 B G H >> S+ 0 0 31 -2,-0.5 4,-1.6 2,-0.2 3,-1.0 0.943 92.6 50.9 -63.9 -55.2 -9.3 19.6 48.2 152 48 B P H 3> S+ 0 0 57 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.789 105.9 60.0 -52.3 -30.1 -7.5 18.1 51.3 153 49 B b H 3> S+ 0 0 6 2,-0.2 4,-1.0 1,-0.2 -2,-0.2 0.816 103.0 50.2 -68.4 -33.3 -7.4 14.8 49.4 154 50 B R H << S+ 0 0 155 -3,-1.0 -1,-0.2 -4,-0.9 -3,-0.1 0.838 109.4 52.0 -72.8 -35.3 -5.3 16.5 46.6 155 51 B I H X S+ 0 0 91 -4,-1.6 4,-0.6 1,-0.2 -2,-0.2 0.918 113.2 44.2 -61.7 -45.7 -2.9 17.9 49.2 156 52 B M H X S+ 0 0 0 -4,-1.9 4,-2.9 1,-0.2 5,-0.2 0.642 90.8 85.4 -80.6 -17.1 -2.4 14.4 50.7 157 53 B A H X S+ 0 0 51 -4,-1.0 4,-2.2 1,-0.2 -1,-0.2 0.921 95.2 39.9 -53.1 -54.1 -2.0 12.4 47.5 158 54 B P H > S+ 0 0 81 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.847 114.9 54.4 -65.5 -32.5 1.8 13.1 47.0 159 55 B V H X S+ 0 0 28 -4,-0.6 4,-1.8 2,-0.2 -2,-0.2 0.917 110.9 45.2 -63.4 -44.8 2.4 12.7 50.8 160 56 B F H X S+ 0 0 3 -4,-2.9 4,-1.7 2,-0.2 -1,-0.2 0.886 112.3 51.3 -67.0 -41.3 0.7 9.2 50.7 161 57 B A H X S+ 0 0 50 -4,-2.2 4,-1.3 -5,-0.2 -2,-0.2 0.890 109.1 51.2 -61.9 -41.8 2.5 8.2 47.6 162 58 B D H X S+ 0 0 60 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.886 108.5 50.5 -64.7 -42.7 5.9 9.2 49.2 163 59 B L H X S+ 0 0 3 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.875 104.3 60.4 -62.6 -37.5 5.2 7.1 52.3 164 60 B A H < S+ 0 0 1 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.880 108.8 41.3 -58.0 -42.1 4.3 4.1 50.1 165 61 B K H < S+ 0 0 129 -4,-1.3 -49,-0.3 1,-0.2 -1,-0.2 0.765 113.2 54.9 -78.1 -25.2 7.8 4.1 48.6 166 62 B K H < S+ 0 0 126 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.691 115.3 39.2 -78.0 -21.0 9.4 4.8 52.0 167 63 B F >< + 0 0 51 -4,-1.5 3,-1.4 -5,-0.1 -1,-0.2 -0.602 63.3 162.6-131.3 71.9 7.7 1.8 53.6 168 64 B P T 3 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -51,-0.1 0.660 72.8 66.8 -66.9 -19.1 7.7 -1.1 51.0 169 65 B N T 3 S+ 0 0 80 -3,-0.1 2,-0.2 -53,-0.1 -29,-0.1 0.762 95.9 67.2 -68.4 -28.9 6.9 -3.7 53.7 170 66 B A S < S- 0 0 8 -3,-1.4 2,-0.6 -6,-0.1 -29,-0.2 -0.650 84.4-123.8 -97.8 151.4 3.5 -2.1 54.2 171 67 B V E - f 0 141B 20 -31,-3.0 -29,-2.8 -2,-0.2 2,-0.6 -0.857 21.4-161.1-100.4 120.0 0.6 -2.1 51.7 172 68 B F E - f 0 142B 3 -2,-0.6 -53,-2.9 -55,-0.4 2,-0.3 -0.890 12.5-176.1-106.1 117.6 -0.8 1.3 50.8 173 69 B L E -ef 119 143B 0 -31,-2.6 -29,-3.2 -2,-0.6 2,-0.5 -0.847 16.5-150.5-115.8 147.3 -4.3 1.3 49.2 174 70 B K E -ef 120 144B 49 -55,-2.7 -53,-2.5 -2,-0.3 2,-0.4 -0.979 16.5-177.8-118.8 126.3 -6.4 4.1 47.8 175 71 B V E -ef 121 145B 0 -31,-2.7 -29,-2.7 -2,-0.5 2,-0.5 -0.984 21.6-142.8-128.2 122.5 -10.2 3.8 47.9 176 72 B D E > - f 0 146B 28 -55,-0.5 4,-2.3 -2,-0.4 3,-0.3 -0.745 14.3-146.3 -79.7 124.4 -12.8 6.3 46.5 177 73 B V T 4 S+ 0 0 14 -31,-2.4 7,-0.2 -2,-0.5 -1,-0.1 0.700 97.7 49.5 -69.7 -21.0 -15.7 6.4 49.0 178 74 B D T 4 S+ 0 0 83 -32,-0.3 3,-0.4 2,-0.1 -1,-0.2 0.773 112.6 47.1 -84.1 -30.5 -18.2 6.9 46.2 179 75 B E T 4 S+ 0 0 96 -3,-0.3 2,-0.4 1,-0.2 -2,-0.2 0.891 123.6 30.3 -76.7 -42.4 -16.9 4.0 44.1 180 76 B L >X + 0 0 8 -4,-2.3 4,-1.8 1,-0.2 3,-0.6 -0.591 69.9 163.3-121.5 68.1 -16.7 1.5 47.0 181 77 B K H 3> S+ 0 0 120 -3,-0.4 4,-3.0 -2,-0.4 5,-0.3 0.854 70.7 57.4 -56.7 -45.3 -19.5 2.5 49.4 182 78 B P H 3> S+ 0 0 75 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.864 109.1 47.0 -56.4 -36.6 -19.7 -0.8 51.4 183 79 B I H <> S+ 0 0 2 -3,-0.6 4,-1.1 2,-0.2 -2,-0.2 0.913 114.2 45.8 -71.8 -44.2 -16.0 -0.5 52.3 184 80 B A H <>S+ 0 0 5 -4,-1.8 5,-2.5 1,-0.2 3,-0.4 0.919 114.8 48.7 -61.7 -43.8 -16.2 3.2 53.4 185 81 B E H ><5S+ 0 0 130 -4,-3.0 3,-1.6 1,-0.2 -2,-0.2 0.855 101.5 63.9 -65.8 -37.5 -19.4 2.4 55.3 186 82 B Q H 3<5S+ 0 0 125 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.878 111.7 36.1 -52.9 -41.5 -17.8 -0.6 57.1 187 83 B F T 3<5S- 0 0 12 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.252 113.6-117.2 -99.2 12.1 -15.3 1.8 58.7 188 84 B S T < 5 + 0 0 96 -3,-1.6 2,-0.8 1,-0.2 -3,-0.2 0.915 46.2 178.6 52.2 50.4 -17.8 4.6 59.2 189 85 B V < + 0 0 9 -5,-2.5 -1,-0.2 1,-0.2 3,-0.1 -0.757 23.8 142.3 -87.8 110.2 -15.9 7.0 56.9 190 86 B E + 0 0 171 -2,-0.8 2,-0.4 1,-0.1 -1,-0.2 0.244 59.0 67.1-128.0 6.1 -17.8 10.3 56.6 191 87 B A S S- 0 0 43 -3,-0.1 18,-0.1 18,-0.0 -1,-0.1 -0.995 83.6-111.0-129.5 136.6 -14.8 12.6 56.6 192 88 B M S S+ 0 0 43 -2,-0.4 18,-0.2 1,-0.2 -46,-0.1 -0.964 89.9 27.3-128.2 141.1 -12.1 12.8 53.9 193 89 B P S S+ 0 0 0 0, 0.0 16,-3.0 0, 0.0 2,-0.5 0.536 75.9 171.3 -77.6 145.2 -9.3 12.1 53.6 194 90 B T E -GH 145 208B 6 -49,-1.7 -49,-3.3 14,-0.2 2,-0.5 -0.992 17.5-157.6-116.7 128.0 -9.4 9.3 56.2 195 91 B F E -GH 144 207B 0 12,-3.0 12,-2.3 -2,-0.5 2,-0.4 -0.929 11.3-164.1-105.8 123.1 -6.3 7.1 56.6 196 92 B L E -GH 143 206B 0 -53,-2.4 -53,-2.7 -2,-0.5 2,-0.5 -0.893 7.9-151.5-113.0 136.7 -7.1 3.8 58.2 197 93 B F E +GH 142 205B 0 8,-2.7 7,-2.8 -2,-0.4 8,-1.0 -0.936 21.9 172.9-110.8 124.2 -4.4 1.4 59.6 198 94 B M E +GH 141 203B 11 -57,-3.1 -57,-3.3 -2,-0.5 2,-0.3 -0.982 12.7 176.1-133.2 142.1 -5.2 -2.3 59.5 199 95 B K E > S- H 0 202B 44 3,-2.3 3,-1.5 -2,-0.4 -59,-0.1 -0.927 74.6 -15.4-148.1 125.2 -3.3 -5.5 60.4 200 96 B E T 3 S- 0 0 115 -61,-0.5 3,-0.1 -2,-0.3 -60,-0.1 0.871 129.9 -49.1 49.9 45.3 -4.6 -9.0 60.3 201 97 B G T 3 S+ 0 0 54 1,-0.2 2,-0.5 -70,-0.1 -1,-0.3 0.480 115.4 116.0 80.2 5.5 -8.2 -7.8 60.3 202 98 B D E < -H 199 0B 86 -3,-1.5 -3,-2.3 0, 0.0 2,-0.5 -0.924 64.7-131.8-115.5 127.1 -7.7 -5.4 63.2 203 99 B V E +H 198 0B 50 -2,-0.5 -5,-0.3 -5,-0.2 3,-0.1 -0.644 28.2 174.4 -75.6 120.3 -8.0 -1.6 62.9 204 100 B K E - 0 0 92 -7,-2.8 2,-0.3 -2,-0.5 -6,-0.2 0.751 56.3 -15.6 -99.9 -31.9 -4.9 -0.2 64.6 205 101 B D E -H 197 0B 40 -8,-1.0 -8,-2.7 2,-0.0 2,-0.3 -0.980 50.4-147.9-166.2 166.5 -5.2 3.6 64.0 206 102 B R E -H 196 0B 98 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.992 2.1-160.0-145.8 146.3 -6.9 6.4 62.0 207 103 B V E -H 195 0B 0 -12,-2.3 -12,-3.0 -2,-0.3 2,-0.5 -0.999 13.5-161.8-123.3 125.8 -5.9 9.8 60.7 208 104 B V E +H 194 0B 85 -2,-0.4 -14,-0.2 -14,-0.2 -16,-0.1 -0.945 54.6 1.2-111.9 121.0 -8.8 12.2 59.9 209 105 B G S S- 0 0 19 -16,-3.0 2,-2.0 -2,-0.5 -14,-0.1 -0.268 106.4 -45.2 98.1 175.1 -8.0 15.2 57.6 210 106 B A S S+ 0 0 39 -18,-0.2 2,-0.8 -2,-0.1 -1,-0.1 -0.474 74.1 149.3 -81.5 69.0 -4.9 16.5 55.9 211 107 B I > + 0 0 63 -2,-2.0 4,-2.2 1,-0.2 5,-0.2 -0.814 19.5 178.8-107.4 91.2 -2.6 16.1 58.8 212 108 B K H > S+ 0 0 111 -2,-0.8 4,-2.5 1,-0.2 5,-0.2 0.906 77.9 48.8 -60.2 -49.0 0.9 15.4 57.3 213 109 B E H > S+ 0 0 140 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.887 113.4 47.2 -59.5 -43.1 2.9 15.1 60.5 214 110 B E H > S+ 0 0 60 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.906 112.7 48.4 -68.6 -43.7 0.4 12.7 62.1 215 111 B L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.943 113.9 46.5 -60.6 -49.1 0.1 10.4 59.1 216 112 B T H X S+ 0 0 67 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.918 114.7 47.6 -59.5 -45.7 3.9 10.3 58.7 217 113 B A H X S+ 0 0 60 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.904 112.9 47.6 -62.7 -44.0 4.4 9.6 62.4 218 114 B K H X S+ 0 0 41 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.838 109.8 52.1 -72.6 -34.5 1.7 6.9 62.6 219 115 B V H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 5,-0.2 0.955 111.8 47.3 -60.6 -50.5 3.0 5.1 59.5 220 116 B G H X S+ 0 0 29 -4,-2.1 4,-0.9 -5,-0.2 -2,-0.2 0.871 114.9 47.2 -58.8 -40.4 6.5 5.0 61.0 221 117 B L H < S+ 0 0 115 -4,-2.1 3,-0.4 1,-0.2 4,-0.2 0.964 118.4 37.4 -64.3 -55.5 5.1 3.7 64.3 222 118 B H H >< S+ 0 0 32 -4,-2.6 3,-0.6 1,-0.2 -2,-0.2 0.711 110.0 60.1 -77.9 -22.5 2.8 1.0 63.0 223 119 B A H 3< S+ 0 0 12 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.803 102.0 54.7 -72.3 -29.4 5.1 -0.2 60.2 224 120 B A T 3< 0 0 90 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.528 360.0 360.0 -81.2 -7.3 7.9 -1.1 62.7 225 121 B A < 0 0 92 -3,-0.6 -85,-0.1 -4,-0.2 -3,-0.0 -0.448 360.0 360.0 -73.3 360.0 5.5 -3.4 64.7