==== 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 GENE REGULATION 21-JUL-08 2VY9 . COMPND 2 MOLECULE: ANTI-SIGMA-FACTOR ANTAGONIST; . SOURCE 2 ORGANISM_SCIENTIFIC: MOORELLA THERMOACETICA; . AUTHOR J.MARLES-WRIGHT,T.GRANT,O.DELUMEAU,G.VAN DUINEN,S.J.FIRBANK, . 230 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12472.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 13.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 3.5 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 . 1 0.4 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 . 16 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 37.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.7 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 2 0 2 1 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 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 0 PARALLEL BRIDGES PER LADDER . 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 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 6 A P 0 0 140 0, 0.0 2,-0.6 0, 0.0 11,-0.5 0.000 360.0 360.0 360.0 105.8 46.8 0.6 29.2 2 7 A I + 0 0 34 9,-0.1 9,-0.2 7,-0.0 2,-0.2 -0.910 360.0 178.3-120.5 102.1 43.5 -1.2 29.0 3 8 A L E -A 10 0A 96 7,-1.7 7,-2.7 -2,-0.6 2,-0.4 -0.478 20.5-136.3-104.4 177.6 42.3 -2.6 32.2 4 9 A K E -A 9 0A 83 5,-0.2 2,-0.5 -2,-0.2 5,-0.2 -0.993 15.3-177.8-136.4 120.7 39.2 -4.5 33.4 5 10 A V E > S-A 8 0A 58 3,-2.9 3,-2.8 -2,-0.4 -2,-0.0 -0.986 77.9 -21.0-122.5 125.9 37.2 -3.9 36.6 6 11 A D T 3 S- 0 0 109 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.913 128.6 -51.7 43.4 48.9 34.2 -6.1 37.4 7 12 A D T 3 S+ 0 0 75 1,-0.2 32,-2.9 31,-0.1 33,-0.6 0.471 114.6 117.6 71.1 2.9 34.1 -7.1 33.7 8 13 A Y E < -Ab 5 40A 6 -3,-2.8 -3,-2.9 31,-0.2 2,-0.3 -0.877 64.7-125.5-101.7 135.1 34.0 -3.5 32.5 9 14 A W E -Ab 4 41A 13 31,-3.0 33,-3.0 -2,-0.4 2,-0.5 -0.633 25.3-163.6 -76.9 133.7 36.9 -2.1 30.3 10 15 A V E +Ab 3 42A 10 -7,-2.7 -7,-1.7 -2,-0.3 2,-0.4 -0.970 11.7 173.2-122.6 123.2 38.5 1.1 31.6 11 16 A V E - b 0 43A 5 31,-2.8 33,-3.0 -2,-0.5 2,-0.5 -0.995 13.8-168.0-131.6 136.1 40.7 3.4 29.5 12 17 A A E - b 0 44A 50 -11,-0.5 2,-0.6 -2,-0.4 33,-0.2 -0.989 16.8-146.4-115.5 122.0 42.2 6.7 30.4 13 18 A I - 0 0 23 31,-3.0 34,-0.6 -2,-0.5 35,-0.3 -0.818 18.1-164.8 -90.3 124.1 43.7 8.6 27.5 14 19 A E - 0 0 129 -2,-0.6 34,-0.1 1,-0.1 2,-0.0 -0.580 39.5 -73.3 -98.3 164.2 46.7 10.7 28.5 15 20 A E - 0 0 108 -2,-0.2 2,-0.2 32,-0.2 -1,-0.1 -0.383 62.3-143.6 -55.5 133.1 48.4 13.5 26.5 16 21 A T - 0 0 76 1,-0.1 3,-0.1 -3,-0.1 -1,-0.1 -0.481 22.6-151.8-105.7 174.8 50.2 11.8 23.7 17 22 A L S S+ 0 0 159 1,-0.2 2,-0.3 -2,-0.2 3,-0.1 0.151 78.4 16.9-133.5 12.9 53.5 12.3 21.8 18 23 A H - 0 0 120 1,-0.1 4,-0.3 0, 0.0 -1,-0.2 -0.951 64.8-123.7-171.9 166.4 52.7 10.9 18.4 19 24 A D S >> S+ 0 0 87 -2,-0.3 3,-1.5 2,-0.2 4,-1.4 0.828 106.6 68.1 -86.8 -39.3 49.7 9.9 16.2 20 25 A Q H 3> S+ 0 0 118 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.663 94.7 62.1 -51.9 -16.0 50.9 6.3 15.7 21 26 A S H 3> S+ 0 0 42 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.856 99.7 50.2 -80.4 -36.2 50.2 6.0 19.5 22 27 A V H <> S+ 0 0 11 -3,-1.5 4,-2.0 -4,-0.3 -2,-0.2 0.802 110.9 50.1 -73.1 -29.1 46.4 6.7 19.0 23 28 A I H X S+ 0 0 55 -4,-1.4 4,-2.9 2,-0.2 5,-0.2 0.888 110.0 49.8 -74.0 -42.3 46.2 4.1 16.3 24 29 A Q H X S+ 0 0 138 -4,-1.3 4,-2.0 -5,-0.2 -2,-0.2 0.866 113.6 47.0 -61.7 -40.0 48.0 1.4 18.4 25 30 A F H X S+ 0 0 31 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.917 112.9 47.5 -68.7 -45.8 45.6 2.2 21.2 26 31 A K H X S+ 0 0 40 -4,-2.0 4,-2.3 2,-0.2 5,-0.3 0.942 114.8 47.4 -59.4 -48.0 42.5 2.1 19.0 27 32 A E H X S+ 0 0 124 -4,-2.9 4,-1.3 1,-0.2 -1,-0.2 0.883 114.5 45.6 -64.0 -39.8 43.7 -1.2 17.4 28 33 A E H X S+ 0 0 95 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.907 112.8 50.8 -71.4 -40.0 44.5 -2.7 20.8 29 34 A L H >X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 3,-0.5 0.986 112.3 44.1 -60.6 -59.7 41.2 -1.6 22.4 30 35 A L H 3X S+ 0 0 33 -4,-2.3 4,-1.0 1,-0.3 -1,-0.2 0.806 110.7 57.5 -54.8 -32.7 38.9 -2.9 19.6 31 36 A H H 3< S+ 0 0 133 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.914 110.7 43.6 -63.5 -41.3 41.0 -6.1 19.6 32 37 A N H XX S+ 0 0 49 -4,-2.0 3,-1.8 -3,-0.5 4,-1.2 0.951 111.9 50.1 -69.0 -48.8 40.2 -6.5 23.3 33 38 A I H 3< S+ 0 0 14 -4,-2.5 5,-0.2 1,-0.3 -1,-0.2 0.632 113.9 45.1 -72.1 -13.8 36.5 -5.7 23.2 34 39 A T T 3< S+ 0 0 92 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.242 110.2 61.6-104.1 8.7 35.7 -8.1 20.4 35 40 A G T <4 S+ 0 0 60 -3,-1.8 2,-0.3 1,-0.5 -2,-0.2 0.901 110.7 10.6-102.8 -70.9 37.8 -10.8 22.0 36 41 A V S < S- 0 0 96 -4,-1.2 -1,-0.5 1,-0.1 0, 0.0 -0.878 95.8 -89.3-109.6 149.3 36.5 -11.9 25.3 37 42 A A - 0 0 87 -2,-0.3 2,-0.3 -3,-0.1 -3,-0.1 -0.207 45.4-175.1 -57.7 140.8 33.0 -10.7 26.5 38 43 A G - 0 0 25 -5,-0.2 -30,-0.2 1,-0.1 3,-0.1 -0.944 28.2-139.8-131.7 157.8 32.9 -7.5 28.4 39 44 A K S S- 0 0 115 -32,-2.9 2,-0.3 -2,-0.3 -31,-0.2 0.593 75.7 -34.7 -90.1 -12.2 29.9 -5.8 30.1 40 45 A G E -b 8 0A 0 -33,-0.6 -31,-3.0 31,-0.1 2,-0.4 -0.976 52.0-115.3 170.7 175.9 30.9 -2.3 29.1 41 46 A L E -bc 9 73A 0 31,-1.9 33,-2.6 -2,-0.3 2,-0.5 -0.989 15.0-172.2-145.5 125.5 33.5 0.3 28.3 42 47 A V E -bc 10 74A 0 -33,-3.0 -31,-2.8 -2,-0.4 2,-0.5 -0.979 5.6-172.0-116.6 133.3 34.5 3.6 29.9 43 48 A I E -bc 11 75A 0 31,-2.0 33,-2.5 -2,-0.5 2,-0.5 -0.989 8.5-155.5-125.7 129.6 37.0 5.9 28.4 44 49 A D E +bc 12 76A 16 -33,-3.0 -31,-3.0 -2,-0.5 3,-0.2 -0.891 18.1 174.1-109.6 124.9 38.3 9.0 30.2 45 50 A I > + 0 0 2 31,-2.5 3,-1.6 -2,-0.5 34,-0.2 0.091 42.5 118.7-114.5 23.6 39.6 12.0 28.4 46 51 A S T 3 S+ 0 0 48 1,-0.3 -1,-0.1 30,-0.2 31,-0.1 0.766 70.7 62.2 -62.9 -23.1 40.1 14.3 31.3 47 52 A A T 3 S+ 0 0 30 -34,-0.6 2,-0.6 -3,-0.2 -1,-0.3 0.748 83.5 92.4 -70.7 -22.3 43.9 14.5 30.6 48 53 A L < - 0 0 9 -3,-1.6 34,-0.1 -35,-0.3 3,-0.1 -0.630 51.4-174.5 -84.4 118.4 43.3 16.0 27.2 49 54 A E S S+ 0 0 130 -2,-0.6 2,-0.3 1,-0.2 -1,-0.2 0.815 81.0 12.2 -81.1 -31.1 43.4 19.8 27.3 50 55 A V S S- 0 0 104 32,-0.0 2,-0.6 31,-0.0 -1,-0.2 -0.946 81.6-125.8-138.2 151.2 42.4 20.0 23.7 51 56 A V - 0 0 8 -2,-0.3 -6,-0.0 -3,-0.1 -3,-0.0 -0.921 24.6-137.8-107.7 118.1 41.1 17.2 21.5 52 57 A D > - 0 0 99 -2,-0.6 4,-2.2 1,-0.1 5,-0.1 -0.183 23.4-113.1 -66.4 158.6 43.1 16.7 18.3 53 58 A S H > S+ 0 0 52 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.824 119.2 56.5 -55.9 -30.1 41.3 16.0 15.0 54 59 A F H > S+ 0 0 47 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.944 108.1 41.3 -70.3 -52.3 43.0 12.6 15.3 55 60 A V H > S+ 0 0 13 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.844 109.2 63.5 -67.5 -34.4 41.6 11.6 18.7 56 61 A T H X S+ 0 0 1 -4,-2.2 4,-1.9 1,-0.2 3,-0.3 0.971 105.6 41.2 -52.9 -58.5 38.2 13.0 17.7 57 62 A R H X S+ 0 0 123 -4,-1.6 4,-2.5 1,-0.3 -1,-0.2 0.848 110.1 59.4 -69.3 -28.4 37.6 10.6 14.9 58 63 A V H X S+ 0 0 11 -4,-1.6 4,-2.9 2,-0.2 -1,-0.3 0.932 106.8 46.7 -59.8 -44.0 39.0 7.7 16.9 59 64 A L H X S+ 0 0 2 -4,-2.2 4,-2.5 -3,-0.3 -1,-0.2 0.861 110.4 53.4 -66.0 -36.2 36.3 8.3 19.6 60 65 A I H X S+ 0 0 47 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.921 111.5 46.6 -62.7 -41.8 33.7 8.5 16.9 61 66 A E H X S+ 0 0 91 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.951 113.7 45.5 -66.4 -52.5 34.9 5.1 15.5 62 67 A I H X S+ 0 0 0 -4,-2.9 4,-3.1 1,-0.2 5,-0.2 0.929 113.7 50.8 -56.3 -46.1 35.0 3.3 18.9 63 68 A S H X S+ 0 0 21 -4,-2.5 4,-1.5 -5,-0.2 -1,-0.2 0.913 112.2 47.1 -58.5 -40.2 31.6 4.8 19.8 64 69 A R H X S+ 0 0 121 -4,-1.9 4,-1.6 -5,-0.2 -2,-0.2 0.905 114.0 46.9 -72.9 -39.0 30.2 3.6 16.5 65 70 A L H X S+ 0 0 61 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.875 107.0 57.3 -66.1 -38.1 31.8 0.1 16.9 66 71 A A H <>S+ 0 0 1 -4,-3.1 5,-3.7 1,-0.2 4,-0.3 0.880 107.6 48.7 -65.6 -34.0 30.6 -0.2 20.5 67 72 A E H ><5S+ 0 0 139 -4,-1.5 3,-0.9 -5,-0.2 -1,-0.2 0.894 110.6 49.2 -67.5 -43.9 27.0 0.3 19.3 68 73 A L H 3<5S+ 0 0 118 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.787 115.3 45.8 -67.7 -27.1 27.4 -2.3 16.6 69 74 A L T 3<5S- 0 0 79 -4,-2.0 -1,-0.3 2,-0.1 -2,-0.2 0.452 111.0-123.1 -86.8 -5.7 28.8 -4.6 19.2 70 75 A G T < 5 + 0 0 64 -3,-0.9 -3,-0.2 -4,-0.3 -4,-0.1 0.857 59.9 152.1 62.0 34.9 26.0 -3.8 21.7 71 76 A L < - 0 0 18 -5,-3.7 -1,-0.2 -6,-0.2 -31,-0.1 -0.871 50.0-122.1-103.0 116.1 28.7 -2.7 24.2 72 77 A P - 0 0 60 0, 0.0 -31,-1.9 0, 0.0 2,-0.4 -0.287 36.6-175.0 -52.6 135.8 27.7 -0.1 26.7 73 78 A F E -c 41 0A 27 -33,-0.2 24,-0.6 -10,-0.0 2,-0.4 -0.978 11.6-178.2-142.8 121.3 30.1 2.8 26.3 74 79 A V E -cd 42 97A 0 -33,-2.6 -31,-2.0 -2,-0.4 2,-0.5 -0.964 15.8-148.1-122.3 139.8 30.4 6.0 28.5 75 80 A L E -cd 43 98A 0 22,-2.2 24,-1.8 -2,-0.4 2,-0.3 -0.919 24.7-174.3-105.8 132.1 32.8 8.8 27.8 76 81 A T E +cd 44 99A 0 -33,-2.5 -31,-2.5 -2,-0.5 24,-0.2 -0.834 49.1 38.1-127.6 163.3 34.0 10.6 31.0 77 82 A G + 0 0 1 22,-1.3 2,-0.6 -2,-0.3 -1,-0.1 0.807 67.1 159.0 74.2 30.2 36.1 13.7 32.0 78 83 A I - 0 0 8 21,-0.4 -1,-0.2 -3,-0.2 -32,-0.1 -0.787 30.6-145.6 -91.6 115.7 34.8 16.0 29.3 79 84 A K > - 0 0 19 -2,-0.6 4,-1.7 -34,-0.2 3,-0.2 -0.507 28.3-107.5 -78.3 154.0 35.3 19.7 30.0 80 85 A P H > S+ 0 0 43 0, 0.0 4,-0.7 0, 0.0 -1,-0.1 0.818 118.6 50.4 -48.9 -33.4 32.7 22.2 28.7 81 86 A A H >> S+ 0 0 64 1,-0.2 4,-1.1 2,-0.2 3,-0.8 0.923 110.1 42.9 -74.2 -50.3 35.3 23.4 26.1 82 87 A V H 3> S+ 0 0 6 1,-0.2 4,-1.9 -3,-0.2 -1,-0.2 0.671 107.0 67.8 -71.0 -13.8 36.4 20.1 24.6 83 88 A A H 3X S+ 0 0 8 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.823 98.3 48.5 -73.2 -32.9 32.8 19.1 24.6 84 89 A I H S+ 0 0 0 -4,-1.9 5,-2.9 2,-0.2 -2,-0.2 0.898 110.8 46.0 -53.0 -45.6 33.7 17.1 19.8 87 92 A T H ><5S+ 0 0 68 -4,-1.4 3,-1.2 3,-0.2 -1,-0.2 0.905 114.1 47.6 -69.3 -39.9 30.1 17.8 18.8 88 93 A E H 3<5S+ 0 0 154 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.917 107.0 57.4 -62.3 -45.2 31.2 20.1 16.0 89 94 A X T 3<5S- 0 0 93 -4,-3.1 -1,-0.3 -5,-0.2 -2,-0.2 0.602 132.2 -99.6 -60.7 -10.1 33.5 17.5 15.0 90 95 A G T < 5S+ 0 0 53 -3,-1.2 2,-0.6 1,-0.3 -3,-0.2 0.602 78.0 134.5 103.0 10.8 30.4 15.3 14.7 91 96 A L < - 0 0 7 -5,-2.9 2,-1.6 -6,-0.2 -1,-0.3 -0.845 52.8-136.7 -92.4 120.1 30.3 13.2 18.0 92 97 A D + 0 0 103 -2,-0.6 4,-0.2 1,-0.2 3,-0.2 -0.560 30.6 171.7 -80.9 88.9 26.8 13.3 19.3 93 98 A L S > S+ 0 0 3 -2,-1.6 3,-0.6 1,-0.2 -1,-0.2 0.777 72.9 57.6 -71.1 -26.4 27.5 13.9 23.0 94 99 A R T 3 S+ 0 0 125 1,-0.2 -1,-0.2 -3,-0.1 4,-0.1 0.895 107.0 46.1 -71.9 -40.6 23.8 14.4 23.8 95 100 A G T 3 S+ 0 0 61 -3,-0.2 2,-0.3 2,-0.1 -1,-0.2 0.352 108.3 69.8 -87.0 5.8 22.6 11.1 22.5 96 101 A X S < S- 0 0 36 -3,-0.6 2,-0.6 -4,-0.2 -22,-0.1 -0.795 91.2 -91.3-123.2 168.5 25.3 9.2 24.2 97 102 A A E +d 74 0A 24 -24,-0.6 -22,-2.2 -2,-0.3 2,-0.3 -0.659 49.0 165.6 -79.1 116.3 26.3 8.2 27.7 98 103 A T E -d 75 0A 15 -2,-0.6 2,-0.3 -24,-0.2 -22,-0.2 -0.943 9.9-176.1-125.6 155.0 28.7 10.7 29.4 99 104 A A E -d 76 0A 20 -24,-1.8 -22,-1.3 -2,-0.3 -21,-0.4 -0.977 37.0-111.6-147.1 158.7 29.7 11.0 33.1 100 105 A L S S- 0 0 23 -2,-0.3 2,-0.3 -24,-0.2 -23,-0.2 0.841 89.6 -19.6 -60.8 -39.4 31.9 13.4 35.2 101 106 A N S > S- 0 0 60 -25,-0.2 4,-2.3 -24,-0.1 5,-0.1 -0.868 80.5 -71.5-158.1-170.0 34.6 10.9 35.9 102 107 A L H > S+ 0 0 66 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.852 123.2 48.8 -68.8 -40.2 35.6 7.3 36.1 103 108 A Q H > S+ 0 0 115 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.906 114.2 46.1 -65.4 -43.0 33.6 6.4 39.2 104 109 A K H > S+ 0 0 35 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.850 111.1 55.2 -69.3 -31.7 30.4 8.0 37.8 105 110 A G H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.970 109.2 45.0 -62.2 -54.4 31.2 6.2 34.5 106 111 A L H X S+ 0 0 25 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.939 114.7 49.7 -57.1 -48.1 31.3 2.8 36.2 107 112 A D H X S+ 0 0 62 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.923 107.6 53.2 -56.6 -45.0 28.2 3.5 38.1 108 113 A K H X S+ 0 0 62 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.955 110.9 45.7 -61.2 -49.4 26.3 4.7 35.1 109 114 A L H X S+ 0 0 6 -4,-2.3 4,-0.9 1,-0.2 -1,-0.2 0.920 114.4 49.1 -56.3 -45.5 27.0 1.5 33.1 110 115 A K H >< S+ 0 0 44 -4,-2.6 3,-0.5 -5,-0.2 -1,-0.2 0.885 107.1 57.0 -62.3 -37.6 26.2 -0.6 36.2 111 116 A N H >< S+ 0 0 106 -4,-2.9 3,-1.1 1,-0.2 -1,-0.2 0.885 104.6 49.5 -63.3 -39.0 22.9 1.3 36.7 112 117 A L H >< S+ 0 0 111 -4,-1.7 3,-0.8 1,-0.3 -1,-0.2 0.703 103.3 61.3 -77.1 -18.3 21.5 0.5 33.2 113 118 A A T << S+ 0 0 68 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.136 94.9 62.3 -94.9 19.7 22.3 -3.2 33.5 114 119 A R T < 0 0 158 -3,-1.1 -1,-0.2 1,-0.0 -2,-0.2 0.253 360.0 360.0-114.3 3.9 20.0 -3.5 36.5 115 120 A X < 0 0 191 -3,-0.8 -2,-0.1 -4,-0.1 -3,-0.1 0.904 360.0 360.0 -67.2 360.0 17.0 -2.5 34.4 116 !* 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 0.0 117 6 B P 0 0 137 0, 0.0 2,-0.3 0, 0.0 31,-0.1 0.000 360.0 360.0 360.0 -47.2 19.1 35.6 38.5 118 7 B I - 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0 0 87 -2,-0.4 -3,-0.1 -3,-0.3 2,-0.1 -0.214 29.0-146.1 -52.2 129.9 7.1 24.9 43.0 154 43 B G - 0 0 16 -5,-0.5 -30,-0.2 1,-0.1 3,-0.1 -0.283 20.9-116.1 -89.5 176.8 9.0 23.5 40.1 155 44 B K S S- 0 0 120 -32,-3.5 2,-0.3 1,-0.3 -31,-0.2 0.606 88.4 -29.1 -86.6 -13.0 9.6 20.0 38.9 156 45 B G E -f 124 0B 0 -33,-0.7 -31,-2.3 31,-0.1 2,-0.4 -0.969 58.9-110.8 178.0 177.1 13.4 20.3 39.5 157 46 B L E -fg 125 189B 0 31,-2.5 33,-2.1 -2,-0.3 2,-0.6 -0.994 14.1-159.7-134.3 130.0 16.4 22.6 39.7 158 47 B V E -fg 126 190B 0 -33,-2.4 -31,-2.8 -2,-0.4 2,-0.6 -0.948 5.4-164.9-105.9 125.5 19.4 22.8 37.5 159 48 B I E -fg 127 191B 4 31,-2.6 33,-3.1 -2,-0.6 2,-0.5 -0.958 13.0-163.1-104.9 115.1 22.5 24.4 38.9 160 49 B D E +fg 128 192B 12 -33,-2.8 -31,-2.9 -2,-0.6 33,-0.2 -0.885 22.4 171.8-107.2 128.7 24.9 25.3 36.1 161 50 B I + 0 0 3 31,-3.4 34,-0.3 -2,-0.5 32,-0.1 -0.102 43.5 115.3-122.8 34.4 28.6 26.1 36.6 162 51 B S S S+ 0 0 57 1,-0.2 -1,-0.1 32,-0.1 31,-0.1 0.805 79.5 51.7 -72.5 -28.8 29.9 26.2 33.0 163 52 B A S S+ 0 0 51 -34,-0.4 -1,-0.2 -3,-0.2 -32,-0.1 0.794 94.3 92.7 -76.0 -27.0 30.7 29.9 33.4 164 53 B L + 0 0 4 -35,-0.4 3,-0.1 29,-0.2 31,-0.1 -0.225 46.2 169.0 -65.6 156.3 32.6 29.2 36.5 165 54 B E + 0 0 111 1,-0.7 2,-0.4 33,-0.0 -1,-0.1 0.640 62.7 22.1-148.0 -32.4 36.2 28.6 36.1 166 55 B V S S- 0 0 101 32,-0.0 -1,-0.7 31,-0.0 2,-0.3 -0.982 77.9-136.5-134.5 147.4 38.1 28.5 39.4 167 56 B V - 0 0 21 -2,-0.4 2,-0.2 -3,-0.1 -36,-0.0 -0.771 10.8-155.6-110.0 152.3 36.2 27.8 42.6 168 57 B D > - 0 0 58 -2,-0.3 4,-1.1 1,-0.1 5,-0.0 -0.439 36.4-113.7 -99.1-179.7 36.3 29.3 46.0 169 58 B S H > S+ 0 0 81 2,-0.2 4,-2.8 -2,-0.2 5,-0.2 0.752 125.2 57.0 -78.4 -28.6 35.5 28.0 49.4 170 59 B F H > S+ 0 0 49 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.968 109.1 41.5 -61.1 -53.0 32.8 30.7 49.0 171 60 B V H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.889 116.3 49.8 -57.9 -43.9 31.5 29.1 45.8 172 61 B T H X S+ 0 0 3 -4,-1.1 4,-2.5 1,-0.2 -1,-0.2 0.912 109.2 52.7 -64.3 -41.0 31.8 25.7 47.2 173 62 B R H X S+ 0 0 119 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.904 108.2 50.2 -61.8 -41.2 30.0 26.8 50.2 174 63 B V H X S+ 0 0 2 -4,-2.1 4,-3.1 2,-0.2 -2,-0.2 0.927 110.3 48.9 -64.5 -45.2 27.2 28.2 48.0 175 64 B L H X S+ 0 0 7 -4,-2.5 4,-2.1 2,-0.2 5,-0.3 0.885 109.7 53.0 -65.2 -36.0 26.9 24.9 46.1 176 65 B I H X S+ 0 0 35 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.974 115.0 40.9 -59.7 -52.9 26.8 22.9 49.3 177 66 B E H X S+ 0 0 35 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.865 112.9 53.0 -62.3 -43.5 24.0 25.1 50.6 178 67 B I H X S+ 0 0 1 -4,-3.1 4,-2.0 2,-0.2 -1,-0.2 0.918 110.5 47.1 -61.4 -46.6 22.0 25.3 47.3 179 68 B S H X S+ 0 0 8 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.889 110.0 52.8 -65.4 -39.7 21.9 21.6 46.9 180 69 B R H X S+ 0 0 115 -4,-1.9 4,-3.4 -5,-0.3 5,-0.4 0.911 108.7 51.3 -59.9 -41.5 20.8 21.1 50.6 181 70 B L H X S+ 0 0 16 -4,-2.1 4,-0.9 2,-0.2 -2,-0.2 0.912 108.0 50.5 -60.0 -46.9 18.0 23.6 49.9 182 71 B A H <>S+ 0 0 1 -4,-2.0 5,-2.5 1,-0.2 4,-0.4 0.930 115.4 47.1 -56.0 -43.2 16.8 21.6 46.8 183 72 B E H ><5S+ 0 0 111 -4,-2.4 3,-3.7 2,-0.2 -2,-0.2 0.991 110.8 45.8 -62.0 -62.7 16.9 18.7 49.1 184 73 B L H 3<5S+ 0 0 111 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.755 114.2 58.4 -49.0 -18.9 15.1 20.1 52.1 185 74 B L T 3<5S- 0 0 66 -4,-0.9 -1,-0.3 -5,-0.4 -2,-0.2 0.610 109.9-123.0 -99.9 -8.1 12.9 21.2 49.6 186 75 B G T < 5 + 0 0 70 -3,-3.7 -3,-0.2 -4,-0.4 -2,-0.1 0.773 64.1 137.4 74.5 25.9 11.9 17.9 47.9 187 76 B L < - 0 0 20 -5,-2.5 -1,-0.2 -6,-0.1 -31,-0.1 -0.915 56.5-124.5-108.5 125.5 13.1 19.1 44.5 188 77 B P - 0 0 69 0, 0.0 -31,-2.5 0, 0.0 2,-0.3 -0.421 39.3-172.2 -58.8 137.6 15.1 16.9 42.1 189 78 B F E -g 157 0B 29 -33,-0.2 24,-0.6 -2,-0.1 2,-0.4 -0.974 19.4-168.9-139.3 153.5 18.3 18.6 41.2 190 79 B V E -gh 158 213B 0 -33,-2.1 -31,-2.6 -2,-0.3 2,-0.5 -0.998 17.4-139.1-138.1 140.9 21.3 18.2 38.9 191 80 B L E -gh 159 214B 4 22,-2.7 24,-2.5 -2,-0.4 2,-0.3 -0.895 30.2-169.5-103.2 134.9 24.6 20.0 38.8 192 81 B T E +gh 160 215B 0 -33,-3.1 -31,-3.4 -2,-0.5 24,-0.2 -0.881 48.3 23.7-132.6 145.7 25.7 20.9 35.4 193 82 B G + 0 0 2 22,-1.5 2,-0.6 -2,-0.3 -1,-0.2 0.895 67.9 165.6 74.7 43.8 28.8 22.2 33.5 194 83 B I - 0 0 8 21,-0.4 -1,-0.2 -3,-0.2 -32,-0.1 -0.849 32.7-135.8-102.0 118.9 31.5 21.1 36.0 195 84 B K > - 0 0 43 -2,-0.6 4,-2.7 -34,-0.3 -116,-0.1 -0.460 20.2-123.1 -70.0 138.5 35.0 21.2 34.7 196 85 B P H > S+ 0 0 25 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.850 113.7 48.5 -57.9 -36.8 36.9 18.0 35.8 197 86 B A H > S+ 0 0 56 1,-0.2 4,-1.3 2,-0.2 -31,-0.0 0.895 112.7 50.0 -67.4 -41.2 39.6 20.1 37.6 198 87 B V H > S+ 0 0 8 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.923 104.1 60.4 -59.2 -43.0 36.9 22.0 39.3 199 88 B A H X S+ 0 0 7 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.925 103.0 48.1 -54.5 -54.0 35.1 18.8 40.4 200 89 B I H X S+ 0 0 93 -4,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.883 110.9 51.0 -59.9 -39.7 37.9 17.5 42.5 201 90 B T H X S+ 0 0 42 -4,-1.3 4,-1.5 1,-0.2 -1,-0.2 0.965 109.6 51.4 -59.7 -50.9 38.4 20.8 44.3 202 91 B L H <>S+ 0 0 0 -4,-2.4 5,-2.9 1,-0.2 -2,-0.2 0.891 112.5 44.8 -53.2 -46.6 34.7 21.0 45.1 203 92 B T H ><5S+ 0 0 62 -4,-2.2 3,-1.6 3,-0.2 -1,-0.2 0.860 109.3 54.3 -71.8 -32.7 34.6 17.5 46.6 204 93 B E H 3<5S+ 0 0 139 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.737 108.3 52.0 -74.5 -18.1 37.8 17.9 48.6 205 94 B X T 3<5S- 0 0 97 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.169 135.3 -86.8 -98.8 14.8 36.2 21.0 50.1 206 95 B G T < 5S+ 0 0 49 -3,-1.6 2,-0.9 1,-0.3 -3,-0.2 0.467 81.4 135.7 101.7 2.0 33.1 19.1 51.1 207 96 B L < - 0 0 1 -5,-2.9 2,-1.9 -6,-0.2 -1,-0.3 -0.760 49.9-144.9 -76.6 110.2 30.8 19.1 48.1 208 97 B D >> + 0 0 69 -2,-0.9 3,-1.2 1,-0.2 4,-0.6 -0.532 29.2 169.9 -82.9 81.0 29.7 15.5 48.1 209 98 B L G >4 + 0 0 10 -2,-1.9 3,-0.8 1,-0.2 -1,-0.2 0.774 63.0 79.5 -60.5 -28.0 29.4 14.9 44.4 210 99 B R G 34 S+ 0 0 206 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.832 100.6 37.2 -48.0 -37.7 29.1 11.1 44.9 211 100 B G G <4 S+ 0 0 73 -3,-1.2 2,-0.3 2,-0.1 -1,-0.3 0.621 103.5 76.7 -99.0 -15.7 25.4 11.5 45.9 212 101 B X S << S- 0 0 26 -3,-0.8 2,-0.1 -4,-0.6 -22,-0.1 -0.757 83.1-105.8-105.6 148.2 24.2 14.2 43.6 213 102 B A E -h 190 0B 27 -24,-0.6 -22,-2.7 -2,-0.3 2,-0.4 -0.418 36.8-171.4 -64.0 133.5 23.2 14.0 39.9 214 103 B T E -h 191 0B 23 -24,-0.2 2,-0.3 -2,-0.1 -22,-0.2 -0.969 3.0-175.2-125.6 143.7 25.8 15.6 37.6 215 104 B A E -h 192 0B 19 -24,-2.5 -22,-1.5 -2,-0.4 -21,-0.4 -0.979 35.4-112.6-140.1 157.1 25.4 16.3 33.9 216 105 B L S S- 0 0 25 -2,-0.3 2,-0.2 -24,-0.2 -23,-0.2 0.857 88.1 -25.8 -53.5 -45.0 27.5 17.6 31.1 217 106 B N S > S- 0 0 62 -25,-0.2 4,-2.3 -24,-0.1 5,-0.2 -0.861 79.6 -73.4-159.4 178.6 25.6 20.8 30.5 218 107 B L H > S+ 0 0 58 -2,-0.2 4,-2.9 2,-0.2 5,-0.3 0.912 124.9 54.1 -54.6 -50.0 22.1 22.4 30.8 219 108 B Q H > S+ 0 0 89 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.952 113.6 40.9 -52.5 -56.4 20.6 20.4 27.9 220 109 B K H > S+ 0 0 26 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.775 111.3 57.4 -63.3 -33.2 21.7 17.1 29.4 221 110 B G H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.967 111.5 42.5 -58.3 -51.8 20.7 18.1 32.9 222 111 B L H X S+ 0 0 9 -4,-2.9 4,-2.7 1,-0.2 5,-0.3 0.913 113.2 52.7 -63.5 -41.2 17.2 18.8 31.6 223 112 B D H X S+ 0 0 42 -4,-2.6 4,-2.2 -5,-0.3 -1,-0.2 0.940 109.4 50.9 -55.6 -47.5 17.3 15.6 29.6 224 113 B K H X S+ 0 0 76 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.921 114.2 41.0 -58.4 -49.0 18.3 13.7 32.7 225 114 B L H X S+ 0 0 7 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.933 114.5 51.8 -66.2 -46.8 15.5 15.0 34.9 226 115 B K H < S+ 0 0 56 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.869 113.0 46.2 -55.9 -40.6 12.8 14.8 32.2 227 116 B N H >X S+ 0 0 86 -4,-2.2 3,-2.7 -5,-0.3 4,-1.7 0.901 103.1 58.6 -75.3 -42.8 13.7 11.2 31.6 228 117 B L H 3< S+ 0 0 107 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.847 104.5 59.0 -48.3 -33.1 13.8 10.1 35.2 229 118 B A T 3< S+ 0 0 69 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.351 120.7 20.4 -86.3 4.8 10.2 11.3 35.1 230 119 B R T <4 0 0 194 -3,-2.7 -2,-0.2 0, 0.0 -3,-0.1 0.465 360.0 360.0-126.2 -63.6 9.1 8.9 32.3 231 120 B X < 0 0 168 -4,-1.7 -2,-0.1 -5,-0.1 -3,-0.1 -0.469 360.0 360.0 67.4 360.0 11.5 6.1 32.2