==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 28-APR-04 1T4A . COMPND 2 MOLECULE: PURS; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR R.ANAND,A.A.HOSKINS,E.M.BENNETT,M.D.SINTCHAK,J.STUBBE,S.E.EA . 160 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9537.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 124 77.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 31.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 40 25.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 3.8 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 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 2 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 1 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 X 0 0 125 0, 0.0 2,-0.3 0, 0.0 47,-0.2 0.000 360.0 360.0 360.0 141.7 29.4 -18.7 -8.2 2 2 A Y E -A 47 0A 72 45,-2.8 45,-3.0 78,-0.2 2,-0.6 -0.709 360.0-150.1-102.5 152.6 31.9 -21.5 -7.8 3 3 A K E -AB 46 79A 70 76,-2.7 76,-2.0 -2,-0.3 2,-0.6 -0.980 19.0-157.6-118.0 114.1 35.6 -21.6 -8.2 4 4 A V E -AB 45 78A 1 41,-3.8 41,-2.7 -2,-0.6 2,-0.6 -0.860 3.2-160.1-101.1 119.4 36.7 -25.1 -9.3 5 5 A K E -AB 44 77A 37 72,-2.7 72,-1.7 -2,-0.6 2,-0.4 -0.853 12.2-170.2 -96.4 124.0 40.3 -26.2 -8.6 6 6 A V E -AB 43 76A 1 37,-2.8 37,-2.2 -2,-0.6 2,-0.6 -0.964 10.3-162.0-120.6 131.7 41.4 -29.1 -10.8 7 7 A Y E -AB 42 75A 12 68,-2.8 68,-1.3 -2,-0.4 2,-0.6 -0.950 8.3-169.6-113.6 116.4 44.6 -31.0 -10.4 8 8 A V E +AB 41 74A 0 33,-3.1 33,-3.0 -2,-0.6 2,-0.3 -0.922 16.2 159.1-109.6 121.0 45.7 -33.1 -13.4 9 9 A S E - B 0 73A 43 64,-1.8 64,-3.7 -2,-0.6 31,-0.1 -0.992 44.4 -94.8-142.4 148.4 48.5 -35.6 -12.9 10 10 A L E - B 0 72A 28 -2,-0.3 62,-0.3 29,-0.3 6,-0.1 -0.285 52.6 -98.5 -60.3 141.1 49.8 -38.7 -14.7 11 11 A K > - 0 0 67 60,-3.0 3,-2.5 1,-0.1 -1,-0.1 -0.249 33.6-109.6 -60.2 149.0 48.6 -42.0 -13.1 12 12 A E T 3 S+ 0 0 185 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.870 119.1 50.6 -46.3 -47.1 51.0 -43.7 -10.8 13 13 A S T 3 S+ 0 0 111 2,-0.1 2,-0.5 58,-0.0 -1,-0.3 0.426 93.9 93.0 -76.1 0.9 51.7 -46.5 -13.2 14 14 A V S < S- 0 0 35 -3,-2.5 2,-0.1 57,-0.1 -4,-0.0 -0.848 76.2-128.6-100.7 128.7 52.4 -44.1 -16.0 15 15 A L - 0 0 155 -2,-0.5 -4,-0.1 1,-0.1 -2,-0.1 -0.462 13.4-147.3 -71.9 143.7 56.0 -43.0 -16.7 16 16 A D > + 0 0 12 1,-0.1 4,-2.6 -2,-0.1 5,-0.2 -0.762 21.0 173.9-116.6 86.3 56.6 -39.2 -16.9 17 17 A P H > S+ 0 0 98 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.769 79.1 60.0 -60.5 -29.1 59.4 -38.5 -19.3 18 18 A Q H > S+ 0 0 118 2,-0.2 4,-1.8 1,-0.2 3,-0.2 0.958 112.0 39.0 -64.8 -48.6 58.9 -34.7 -19.1 19 19 A G H > S+ 0 0 0 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.897 111.7 57.8 -66.8 -40.2 59.6 -34.9 -15.3 20 20 A S H X S+ 0 0 76 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.838 108.4 47.5 -59.1 -32.8 62.4 -37.5 -15.8 21 21 A A H X S+ 0 0 61 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.882 112.3 48.3 -75.4 -40.7 64.1 -35.0 -18.2 22 22 A V H X S+ 0 0 32 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.889 109.5 53.9 -65.2 -39.7 63.7 -32.1 -15.7 23 23 A Q H X S+ 0 0 39 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.916 106.7 52.2 -61.0 -42.6 65.0 -34.4 -12.9 24 24 A H H X S+ 0 0 133 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.921 110.9 46.0 -59.4 -47.9 68.2 -35.1 -15.0 25 25 A A H X S+ 0 0 34 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.917 111.0 53.0 -62.2 -44.9 68.9 -31.4 -15.5 26 26 A L H <>S+ 0 0 0 -4,-2.5 5,-2.8 1,-0.2 -1,-0.2 0.897 108.5 51.0 -57.8 -41.8 68.3 -30.6 -11.9 27 27 A H H ><5S+ 0 0 53 -4,-2.3 3,-2.1 1,-0.2 5,-0.3 0.935 108.0 50.8 -62.6 -46.3 70.8 -33.3 -10.9 28 28 A S H 3<5S+ 0 0 87 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.775 105.5 57.9 -61.9 -26.2 73.4 -31.9 -13.3 29 29 A X T 3<5S- 0 0 69 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.205 129.1-100.1 -88.7 14.4 72.8 -28.5 -11.6 30 30 A T T < 5S+ 0 0 86 -3,-2.1 2,-0.8 -5,-0.1 -3,-0.2 0.536 87.2 125.8 79.3 13.7 73.7 -30.2 -8.3 31 31 A Y > < + 0 0 8 -5,-2.8 3,-1.7 1,-0.2 -3,-0.1 -0.394 19.5 149.8 -98.1 58.8 70.2 -30.7 -6.9 32 32 A N T 3 + 0 0 99 -2,-0.8 -1,-0.2 1,-0.3 -5,-0.1 0.475 55.3 80.4 -69.2 -1.9 70.7 -34.5 -6.3 33 33 A E T 3 + 0 0 13 -3,-0.2 96,-2.6 95,-0.1 2,-0.6 0.665 68.9 98.4 -78.9 -13.0 68.3 -34.3 -3.4 34 34 A V E < + C 0 128A 0 -3,-1.7 94,-0.2 94,-0.2 3,-0.1 -0.643 47.8 174.6 -76.6 115.9 65.4 -34.5 -6.0 35 35 A Q E + 0 0 80 92,-3.2 2,-0.3 -2,-0.6 -1,-0.2 0.809 63.0 5.0 -91.7 -34.9 64.4 -38.2 -6.1 36 36 A D E - C 0 127A 64 91,-1.1 91,-2.4 2,-0.0 2,-0.4 -0.995 55.8-159.1-152.2 148.5 61.4 -37.9 -8.4 37 37 A V E - C 0 126A 1 -2,-0.3 2,-0.5 89,-0.2 89,-0.2 -0.992 7.9-178.4-133.8 124.0 59.6 -35.3 -10.6 38 38 A R E - C 0 125A 57 87,-2.2 87,-2.7 -2,-0.4 2,-0.5 -0.993 12.3-159.5-121.9 122.0 56.0 -35.6 -11.8 39 39 A I E + C 0 124A 18 -2,-0.5 -29,-0.3 85,-0.2 85,-0.2 -0.903 26.3 140.5-109.4 128.9 54.7 -32.8 -14.0 40 40 A G E - C 0 123A 10 83,-4.0 83,-1.6 -2,-0.5 2,-0.3 -0.457 43.3 -83.9-136.8-149.6 51.0 -32.2 -14.4 41 41 A K E -AC 8 122A 94 -33,-3.0 -33,-3.1 81,-0.3 2,-0.4 -0.962 20.1-161.4-134.8 150.2 48.5 -29.3 -14.6 42 42 A Y E +AC 7 121A 16 79,-2.6 79,-3.7 -2,-0.3 2,-0.3 -0.984 18.6 179.1-127.4 137.9 46.6 -27.1 -12.2 43 43 A X E -AC 6 120A 8 -37,-2.2 -37,-2.8 -2,-0.4 2,-0.5 -0.991 21.2-156.6-143.6 150.6 43.5 -25.2 -13.2 44 44 A E E -AC 5 119A 58 75,-2.4 75,-1.8 -2,-0.3 2,-0.5 -0.986 15.0-174.7-128.6 119.1 40.9 -22.9 -11.8 45 45 A L E -AC 4 118A 1 -41,-2.7 -41,-3.8 -2,-0.5 2,-0.5 -0.971 14.8-148.5-117.4 125.6 37.6 -22.6 -13.5 46 46 A T E -AC 3 117A 36 71,-2.1 70,-3.7 -2,-0.5 71,-1.2 -0.796 26.8-179.1 -90.4 128.3 34.9 -20.2 -12.3 47 47 A I E -AC 2 115A 1 -45,-3.0 -45,-2.8 -2,-0.5 2,-0.3 -0.962 24.2-136.4-134.5 150.1 31.4 -21.5 -12.9 48 48 A E - 0 0 85 66,-2.0 2,-0.1 -2,-0.3 66,-0.0 -0.687 36.9-101.9 -96.9 152.7 27.8 -20.4 -12.4 49 49 A K + 0 0 153 -2,-0.3 2,-0.2 2,-0.0 -1,-0.1 -0.400 50.2 160.2 -71.9 152.9 25.2 -22.8 -11.0 50 50 A S - 0 0 59 2,-0.5 4,-0.1 -2,-0.1 -1,-0.0 -0.814 57.8 -71.8-152.2-167.9 22.8 -24.4 -13.4 51 51 A D S S+ 0 0 159 -2,-0.2 2,-0.1 2,-0.1 -2,-0.0 0.750 103.4 93.0 -69.3 -24.2 20.4 -27.3 -13.7 52 52 A R S S- 0 0 81 1,-0.1 -2,-0.5 2,-0.0 2,-0.2 -0.386 87.1-110.8 -69.1 148.3 23.4 -29.7 -13.9 53 53 A D > - 0 0 105 1,-0.1 4,-2.4 -4,-0.1 5,-0.2 -0.533 23.4-123.4 -76.8 148.2 24.6 -31.2 -10.7 54 54 A L H > S+ 0 0 60 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.946 110.8 46.4 -57.3 -50.7 28.0 -29.9 -9.5 55 55 A D H > S+ 0 0 77 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.891 112.3 50.1 -61.6 -39.9 29.5 -33.4 -9.4 56 56 A V H > S+ 0 0 69 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.925 112.5 47.7 -65.2 -43.0 28.2 -34.4 -12.8 57 57 A L H X S+ 0 0 5 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.920 111.2 47.4 -63.9 -48.5 29.4 -31.2 -14.5 58 58 A V H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.898 111.8 51.3 -63.7 -40.0 33.0 -31.2 -13.1 59 59 A K H X S+ 0 0 104 -4,-1.7 4,-2.8 -5,-0.3 5,-0.2 0.892 110.1 49.2 -64.7 -39.4 33.5 -34.9 -14.0 60 60 A E H X S+ 0 0 51 -4,-1.7 4,-3.0 2,-0.2 5,-0.3 0.928 111.4 47.4 -66.7 -45.4 32.3 -34.3 -17.6 61 61 A X H X>S+ 0 0 3 -4,-2.2 4,-2.3 1,-0.2 5,-2.2 0.917 115.6 47.1 -61.5 -42.0 34.6 -31.4 -18.2 62 62 A C H <>S+ 0 0 0 -4,-2.2 5,-2.5 3,-0.2 -2,-0.2 0.936 117.7 39.9 -65.0 -48.6 37.5 -33.3 -16.7 63 63 A E H <5S+ 0 0 102 -4,-2.8 6,-0.4 1,-0.2 -2,-0.2 0.885 122.7 41.6 -69.1 -38.9 36.9 -36.5 -18.7 64 64 A K H <5S- 0 0 114 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.780 138.5 -12.6 -81.2 -29.7 36.0 -34.7 -21.9 65 65 A L T <5S+ 0 0 64 -4,-2.3 -3,-0.2 -5,-0.3 -4,-0.1 0.634 118.7 61.7-138.9 -51.3 38.6 -31.9 -22.0 66 66 A L T > - 0 0 87 -2,-0.3 4,-2.7 1,-0.1 3,-2.2 -0.801 28.1-163.8 -95.1 90.7 43.2 -37.5 -20.8 69 69 A T T 34 S+ 0 0 51 -2,-1.2 -1,-0.1 -6,-0.4 5,-0.1 0.443 78.3 74.7 -59.7 -0.6 41.9 -40.0 -18.4 70 70 A V T 34 S+ 0 0 116 1,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.821 122.9 7.2 -79.1 -30.8 43.7 -42.9 -20.2 71 71 A I T <4 S+ 0 0 68 -3,-2.2 -60,-3.0 1,-0.1 2,-0.3 0.543 123.7 70.4-123.0 -15.9 47.0 -41.6 -18.7 72 72 A E E < -B 10 0A 23 -4,-2.7 2,-0.3 -62,-0.3 -62,-0.3 -0.840 57.5-152.3-115.0 145.3 45.9 -38.9 -16.3 73 73 A D E -B 9 0A 76 -64,-3.7 -64,-1.8 -2,-0.3 2,-0.3 -0.696 17.0-160.6-101.2 159.3 44.1 -38.8 -12.9 74 74 A Y E +B 8 0A 57 -2,-0.3 2,-0.3 -66,-0.2 -66,-0.2 -0.997 12.5 178.0-143.3 145.8 42.1 -35.7 -11.8 75 75 A R E -B 7 0A 105 -68,-1.3 -68,-2.8 -2,-0.3 2,-0.3 -0.986 10.7-165.5-143.5 147.2 40.9 -34.5 -8.5 76 76 A Y E -B 6 0A 71 -2,-0.3 2,-0.3 -70,-0.2 -70,-0.2 -0.955 13.2-165.9-139.3 157.8 39.0 -31.3 -7.7 77 77 A E E -B 5 0A 91 -72,-1.7 -72,-2.7 -2,-0.3 2,-0.4 -0.980 16.9-148.0-136.8 144.8 37.9 -29.1 -4.8 78 78 A V E +B 4 0A 45 -2,-0.3 2,-0.3 -74,-0.2 -74,-0.2 -0.956 14.5 178.9-125.0 138.9 35.3 -26.4 -5.0 79 79 A E E B 3 0A 76 -76,-2.0 -76,-2.7 -2,-0.4 -2,-0.0 -0.872 360.0 360.0-127.5 161.4 35.0 -23.1 -3.2 80 80 A E 0 0 200 -2,-0.3 -78,-0.2 -78,-0.2 -2,-0.0 -0.773 360.0 360.0 -93.9 360.0 32.3 -20.3 -3.3 81 !* 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 82 1 B X 0 0 118 0, 0.0 2,-0.3 0, 0.0 47,-0.2 0.000 360.0 360.0 360.0-158.4 60.9 -37.7 3.0 83 2 B Y E -D 128 0A 100 45,-2.5 45,-2.5 76,-0.0 2,-0.6 -0.694 360.0-160.8-102.3 145.2 59.2 -34.7 1.4 84 3 B K E -DE 127 160A 96 76,-3.2 76,-2.0 -2,-0.3 2,-0.6 -0.958 20.0-164.8-115.9 108.2 56.6 -34.2 -1.3 85 4 B V E -DE 126 159A 0 41,-3.5 41,-3.0 -2,-0.6 2,-0.6 -0.863 5.7-156.1-102.5 122.6 56.8 -30.6 -2.6 86 5 B K E -DE 125 158A 8 72,-2.9 72,-1.9 -2,-0.6 2,-0.5 -0.854 11.5-169.1 -98.2 120.0 54.0 -29.3 -4.7 87 6 B V E -DE 124 157A 0 37,-2.8 37,-2.8 -2,-0.6 2,-0.5 -0.940 6.1-163.6-114.0 128.6 54.9 -26.4 -7.0 88 7 B Y E -DE 123 156A 3 68,-2.9 68,-1.5 -2,-0.5 2,-0.5 -0.941 6.6-174.4-112.9 119.9 52.4 -24.3 -8.9 89 8 B V E +DE 122 155A 2 33,-2.4 33,-3.0 -2,-0.5 2,-0.3 -0.959 13.0 167.5-116.2 124.8 53.6 -22.2 -11.8 90 9 B S E - E 0 154A 44 64,-2.5 64,-2.9 -2,-0.5 31,-0.1 -0.980 41.2 -98.6-140.9 152.1 51.3 -19.8 -13.5 91 10 B L E - E 0 153A 42 29,-0.4 62,-0.3 -2,-0.3 4,-0.1 -0.384 54.7-101.1 -61.9 136.7 51.2 -16.9 -15.9 92 11 B K > - 0 0 55 60,-2.5 3,-1.6 1,-0.2 -1,-0.1 -0.352 25.2-123.1 -60.7 142.9 51.1 -13.6 -14.0 93 12 B E T 3 S+ 0 0 94 1,-0.3 -1,-0.2 -3,-0.1 4,-0.1 0.667 107.8 74.2 -61.7 -14.8 47.5 -12.2 -14.0 94 13 B S T 3 S+ 0 0 106 2,-0.1 2,-0.4 58,-0.1 -1,-0.3 0.288 86.8 79.9 -82.2 10.5 49.0 -9.1 -15.6 95 14 B V S < S- 0 0 58 -3,-1.6 -4,-0.0 57,-0.1 57,-0.0 -0.965 87.9-109.3-125.5 136.4 49.4 -10.9 -18.9 96 15 B L - 0 0 157 -2,-0.4 -2,-0.1 1,-0.1 -4,-0.1 -0.336 28.9-153.3 -58.5 138.4 46.8 -11.7 -21.6 97 16 B D > + 0 0 20 1,-0.2 4,-1.8 -4,-0.1 3,-0.2 -0.698 23.9 167.8-121.9 78.2 46.0 -15.4 -21.5 98 17 B P H > S+ 0 0 90 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.842 78.3 57.0 -56.1 -40.0 44.8 -16.5 -25.0 99 18 B Q H > S+ 0 0 148 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.913 107.1 47.2 -61.8 -44.3 45.0 -20.2 -24.2 100 19 B G H > S+ 0 0 2 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.889 111.8 51.8 -64.8 -38.4 42.7 -19.9 -21.2 101 20 B S H X S+ 0 0 75 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.929 110.0 48.9 -62.2 -45.0 40.3 -17.9 -23.4 102 21 B A H X S+ 0 0 62 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.867 110.6 49.8 -63.3 -39.6 40.4 -20.7 -26.0 103 22 B V H X S+ 0 0 29 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.901 109.9 51.7 -67.3 -39.0 39.7 -23.4 -23.5 104 23 B Q H X S+ 0 0 51 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.937 111.3 46.8 -61.5 -46.8 36.8 -21.4 -22.1 105 24 B H H X S+ 0 0 128 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.891 109.5 54.7 -62.7 -39.0 35.3 -21.1 -25.6 106 25 B A H X S+ 0 0 26 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.898 106.4 51.5 -60.9 -42.0 35.9 -24.8 -26.2 107 26 B L H <>S+ 0 0 0 -4,-2.2 5,-2.9 2,-0.2 -1,-0.2 0.912 109.7 49.4 -63.2 -41.5 33.9 -25.6 -23.1 108 27 B H H ><5S+ 0 0 47 -4,-2.0 3,-2.2 1,-0.2 5,-0.2 0.929 108.3 53.1 -62.1 -45.5 31.0 -23.5 -24.2 109 28 B S H 3<5S+ 0 0 84 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.791 106.1 54.1 -60.5 -27.6 31.1 -25.1 -27.6 110 29 B X T 3<5S- 0 0 71 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.372 127.0-104.0 -86.9 4.1 30.8 -28.5 -25.8 111 30 B T T < 5S+ 0 0 74 -3,-2.2 2,-1.1 -5,-0.1 -3,-0.2 0.548 87.1 125.3 83.6 13.8 27.7 -27.1 -24.0 112 31 B Y > < + 0 0 5 -5,-2.9 3,-1.4 1,-0.2 -3,-0.1 -0.488 26.8 155.7 -97.3 61.9 29.4 -26.5 -20.7 113 32 B N T 3 + 0 0 84 -2,-1.1 -1,-0.2 1,-0.3 -5,-0.1 0.508 51.2 81.4 -68.1 -7.3 28.2 -22.9 -20.9 114 33 B E T 3 + 0 0 8 -3,-0.2 -66,-2.0 -7,-0.1 -1,-0.3 0.741 66.9 106.9 -72.3 -20.2 28.3 -22.4 -17.1 115 34 B V E < +C 47 0A 0 -3,-1.4 -68,-0.3 -68,-0.2 3,-0.1 -0.363 39.4 172.7 -63.0 130.0 32.0 -21.7 -17.3 116 35 B Q E + 0 0 77 -70,-3.7 2,-0.3 1,-0.4 -69,-0.2 0.712 65.1 6.8-108.1 -32.4 32.9 -18.0 -16.7 117 36 B D E -C 46 0A 72 -71,-1.2 -71,-2.1 -13,-0.0 -1,-0.4 -0.993 57.5-160.1-153.0 148.3 36.7 -18.1 -16.6 118 37 B V E -C 45 0A 2 -2,-0.3 2,-0.4 -73,-0.2 -73,-0.2 -0.998 7.8-179.4-135.6 130.7 39.5 -20.6 -17.1 119 38 B R E -C 44 0A 69 -75,-1.8 -75,-2.4 -2,-0.4 2,-0.4 -0.998 7.0-167.8-130.7 129.1 43.0 -20.4 -15.8 120 39 B I E +C 43 0A 64 -2,-0.4 -29,-0.4 -77,-0.2 2,-0.2 -0.973 13.4 161.8-124.3 128.6 45.6 -23.1 -16.5 121 40 B G E -C 42 0A 12 -79,-3.7 -79,-2.6 -2,-0.4 2,-0.4 -0.775 41.2 -87.9-132.8 177.0 49.0 -23.5 -14.8 122 41 B K E -CD 41 89A 109 -33,-3.0 -33,-2.4 -2,-0.2 2,-0.5 -0.717 32.9-161.6 -91.9 138.3 51.7 -26.0 -14.3 123 42 B Y E -CD 40 88A 14 -83,-1.6 -83,-4.0 -2,-0.4 2,-0.4 -0.978 11.1-176.5-123.3 119.7 51.5 -28.4 -11.3 124 43 B X E -CD 39 87A 8 -37,-2.8 -37,-2.8 -2,-0.5 2,-0.5 -0.929 17.0-159.7-121.6 142.5 54.6 -30.3 -10.2 125 44 B E E -CD 38 86A 13 -87,-2.7 -87,-2.2 -2,-0.4 2,-0.5 -0.970 15.3-173.5-119.3 114.0 55.2 -32.8 -7.5 126 45 B L E -CD 37 85A 0 -41,-3.0 -41,-3.5 -2,-0.5 2,-0.6 -0.946 15.7-148.9-112.8 124.2 58.9 -33.1 -6.4 127 46 B T E -CD 36 84A 41 -91,-2.4 -92,-3.2 -2,-0.5 -91,-1.1 -0.833 24.4-170.5 -91.8 119.7 60.0 -35.8 -4.0 128 47 B I E -CD 34 83A 2 -45,-2.5 -45,-2.5 -2,-0.6 2,-0.3 -0.954 12.8-151.7-121.3 130.3 62.9 -34.4 -2.1 129 48 B E - 0 0 98 -96,-2.6 -96,-0.0 -2,-0.4 -2,-0.0 -0.651 38.2 -87.0 -95.5 151.2 65.3 -36.1 0.3 130 49 B K + 0 0 170 -2,-0.3 2,-0.2 2,-0.1 -1,-0.1 -0.231 57.3 158.5 -57.1 142.3 67.0 -34.4 3.2 131 50 B S - 0 0 37 2,-0.5 4,-0.1 -3,-0.1 -1,-0.0 -0.835 57.2 -81.9-149.9-174.0 70.3 -32.7 2.5 132 51 B D S S+ 0 0 164 -2,-0.2 2,-0.2 2,-0.1 -2,-0.1 0.725 103.7 83.4 -71.5 -21.9 72.6 -30.0 3.9 133 52 B R S S- 0 0 75 1,-0.1 -2,-0.5 2,-0.0 2,-0.2 -0.555 88.7-109.9 -84.6 148.6 70.4 -27.2 2.2 134 53 B D > - 0 0 108 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.512 27.0-122.8 -73.3 145.3 67.3 -25.9 3.9 135 54 B L H > S+ 0 0 41 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.875 108.5 50.0 -57.8 -43.3 64.1 -26.9 2.0 136 55 B D H > S+ 0 0 70 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.893 111.5 48.0 -65.6 -39.8 62.8 -23.4 1.4 137 56 B V H > S+ 0 0 63 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.922 112.4 50.5 -65.4 -44.5 66.2 -22.2 -0.0 138 57 B L H X S+ 0 0 2 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.943 110.8 47.1 -57.9 -53.5 66.4 -25.3 -2.3 139 58 B V H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.925 113.8 45.1 -59.1 -49.3 62.8 -25.0 -3.7 140 59 B K H X S+ 0 0 83 -4,-1.9 4,-2.9 1,-0.2 5,-0.2 0.895 111.0 55.1 -64.3 -37.4 63.0 -21.3 -4.6 141 60 B E H X S+ 0 0 64 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.914 110.5 45.6 -60.5 -43.3 66.5 -21.7 -6.1 142 61 B X H X>S+ 0 0 1 -4,-2.1 4,-2.6 2,-0.2 5,-2.5 0.853 114.6 47.3 -69.1 -35.9 65.1 -24.4 -8.4 143 62 B C H <>S+ 0 0 0 -4,-2.1 5,-1.1 3,-0.2 -2,-0.2 0.877 113.0 48.9 -72.9 -37.9 62.1 -22.3 -9.3 144 63 B E H <5S+ 0 0 96 -4,-2.9 6,-0.2 -5,-0.2 -2,-0.2 0.811 122.8 33.3 -70.5 -30.2 64.1 -19.2 -10.0 145 64 B K H <5S- 0 0 123 -4,-1.7 -2,-0.2 -5,-0.2 -3,-0.2 0.830 138.5 -10.4 -97.2 -35.3 66.6 -21.1 -12.1 146 65 B L T <5S+ 0 0 73 -4,-2.6 -3,-0.2 -5,-0.2 -4,-0.1 0.680 119.2 59.4-134.7 -43.7 64.7 -23.8 -14.0 147 66 B L T > - 0 0 79 -2,-0.3 4,-2.1 5,-0.1 3,-1.5 -0.900 22.3-163.1-120.1 92.7 60.6 -17.7 -15.5 150 69 B T T 34 S+ 0 0 50 -2,-0.6 -1,-0.1 1,-0.3 5,-0.1 0.460 81.3 71.4 -59.9 -0.3 59.8 -15.2 -12.8 151 70 B V T 34 S+ 0 0 109 1,-0.1 -1,-0.3 3,-0.0 3,-0.0 0.879 119.1 11.8 -82.4 -39.3 59.6 -12.5 -15.4 152 71 B I T <4 S+ 0 0 78 -3,-1.5 -60,-2.5 1,-0.1 2,-0.3 0.488 124.7 58.4-115.4 -7.0 56.3 -13.7 -16.8 153 72 B E E < -E 91 0A 31 -4,-2.1 2,-0.3 -62,-0.3 -62,-0.2 -0.936 60.2-146.2-131.0 151.1 55.2 -16.3 -14.2 154 73 B D E -E 90 0A 82 -64,-2.9 -64,-2.5 -2,-0.3 2,-0.3 -0.728 21.6-168.0-102.7 157.2 54.4 -16.5 -10.5 155 74 B Y E +E 89 0A 48 -2,-0.3 2,-0.3 -66,-0.2 -66,-0.2 -0.982 10.8 172.4-145.3 153.7 55.2 -19.6 -8.5 156 75 B R E -E 88 0A 96 -68,-1.5 -68,-2.9 -2,-0.3 2,-0.3 -0.963 11.8-155.5-154.2 161.2 54.3 -20.9 -5.1 157 76 B Y E -E 87 0A 71 -2,-0.3 2,-0.3 -70,-0.2 -70,-0.2 -0.962 10.0-159.3-145.7 162.8 54.8 -24.2 -3.2 158 77 B E E -E 86 0A 80 -72,-1.9 -72,-2.9 -2,-0.3 2,-0.4 -0.985 15.8-145.4-138.6 145.0 53.5 -26.4 -0.4 159 78 B V E +E 85 0A 57 -2,-0.3 2,-0.3 -74,-0.2 -74,-0.2 -0.945 19.2 169.5-120.8 136.0 55.3 -29.2 1.5 160 79 B E E E 84 0A 114 -76,-2.0 -76,-3.2 -2,-0.4 -2,-0.0 -0.915 360.0 360.0-134.6 160.8 54.0 -32.5 2.8 161 80 B E 0 0 199 -2,-0.3 -1,-0.1 -78,-0.2 -76,-0.1 0.880 360.0 360.0 -98.9 360.0 55.7 -35.5 4.3