==== 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 PHEROMONE BINDING PROTEIN 27-APR-08 3CZ1 . COMPND 2 MOLECULE: PHEROMONE-BINDING PROTEIN ASP1; . SOURCE 2 ORGANISM_SCIENTIFIC: APIS MELLIFERA; . AUTHOR M.E.PESENTI,S.SPINELLI,V.BEZIRARD,L.BRIAND,J.C.PERNOLLET,M.T . 232 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11926.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.7 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 . 2 0.9 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 . 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 . 12 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 45.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 3.0 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 1 0 1 1 1 0 2 1 3 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 3 A D 0 0 208 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 153.4 39.6 -17.1 -36.7 2 4 A W - 0 0 116 3,-0.0 150,-0.0 1,-0.0 222,-0.0 -0.327 360.0-174.0 -60.0 138.4 39.0 -16.2 -33.1 3 5 A V - 0 0 100 224,-0.2 -1,-0.0 -2,-0.0 0, 0.0 -0.980 38.2 -95.9-129.8 146.3 40.5 -12.9 -31.9 4 6 A P - 0 0 96 0, 0.0 2,-0.1 0, 0.0 147,-0.1 -0.449 43.4-144.7 -67.0 122.7 40.4 -11.9 -28.2 5 7 A P - 0 0 17 0, 0.0 2,-0.5 0, 0.0 224,-0.2 -0.453 22.7-102.2 -78.3 160.4 37.5 -9.6 -27.6 6 8 A E E -a 229 0A 123 222,-2.2 224,-1.7 -2,-0.1 2,-0.4 -0.738 45.6-138.5 -74.9 124.7 37.4 -6.7 -25.3 7 9 A V E -a 230 0A 62 -2,-0.5 2,-0.5 222,-0.2 224,-0.2 -0.781 17.2-164.8 -96.5 132.7 35.5 -8.1 -22.3 8 10 A F E -a 231 0A 36 222,-2.7 224,-2.6 -2,-0.4 2,-0.7 -0.966 12.1-148.1-120.7 117.6 32.8 -6.1 -20.4 9 11 A D E > -a 232 0A 69 -2,-0.5 4,-2.7 222,-0.2 5,-0.2 -0.738 11.8-149.2 -81.5 113.7 31.5 -7.1 -17.0 10 12 A L H > S+ 0 0 12 222,-2.8 4,-2.9 -2,-0.7 5,-0.2 0.877 95.4 51.0 -51.1 -46.6 27.9 -5.9 -17.0 11 13 A V H > S+ 0 0 12 221,-0.3 4,-2.5 2,-0.2 5,-0.2 0.950 112.8 44.9 -62.0 -46.2 28.0 -5.4 -13.2 12 14 A A H > S+ 0 0 49 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.914 116.0 46.7 -64.4 -41.6 31.1 -3.3 -13.4 13 15 A E H X S+ 0 0 92 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.906 111.8 50.9 -67.3 -41.3 29.9 -1.3 -16.3 14 16 A D H X S+ 0 0 3 -4,-2.9 4,-2.9 -5,-0.2 5,-0.3 0.911 110.3 48.8 -64.1 -44.0 26.5 -0.7 -14.8 15 17 A K H X S+ 0 0 60 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.921 113.3 47.4 -61.1 -45.6 28.0 0.6 -11.5 16 18 A A H X S+ 0 0 56 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.930 116.0 44.6 -62.7 -46.1 30.3 2.9 -13.4 17 19 A R H X S+ 0 0 62 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.959 114.9 46.6 -59.8 -51.7 27.5 4.2 -15.6 18 20 A a H X S+ 0 0 0 -4,-2.9 4,-1.1 1,-0.2 6,-0.3 0.890 111.0 53.1 -62.4 -39.2 25.0 4.6 -12.8 19 21 A M H X>S+ 0 0 52 -4,-2.4 5,-1.6 -5,-0.3 4,-0.8 0.933 112.7 44.6 -58.4 -47.6 27.6 6.4 -10.6 20 22 A S H ><5S+ 0 0 102 -4,-2.0 3,-0.5 1,-0.2 -2,-0.2 0.902 112.4 50.6 -64.0 -41.9 28.4 8.9 -13.4 21 23 A E H 3<5S+ 0 0 101 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.626 118.8 36.2 -77.1 -13.3 24.7 9.5 -14.3 22 24 A H H 3<5S- 0 0 66 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.363 104.4-115.5-125.1 9.7 23.6 10.2 -10.7 23 25 A G T <<5 + 0 0 57 -4,-0.8 2,-0.2 -3,-0.5 -3,-0.2 0.769 55.0 166.6 69.1 23.8 26.6 12.0 -9.2 24 26 A T < - 0 0 8 -5,-1.6 2,-0.2 -6,-0.3 -1,-0.2 -0.526 27.1-139.9 -79.9 137.5 27.3 9.2 -6.7 25 27 A T > - 0 0 71 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.624 22.8-114.8 -91.2 161.8 30.6 9.2 -4.8 26 28 A Q H > S+ 0 0 99 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.857 117.9 57.5 -60.3 -37.5 32.6 6.0 -4.1 27 29 A A H > S+ 0 0 59 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.919 106.4 49.6 -58.2 -43.5 31.9 6.5 -0.3 28 30 A Q H > S+ 0 0 29 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.904 109.8 49.3 -63.6 -41.9 28.2 6.5 -1.1 29 31 A I H X S+ 0 0 7 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.918 109.7 52.9 -62.1 -42.1 28.4 3.3 -3.1 30 32 A D H X S+ 0 0 72 -4,-2.5 4,-0.9 1,-0.2 -1,-0.2 0.887 108.6 50.2 -61.3 -38.9 30.4 1.7 -0.3 31 33 A D H >X>S+ 0 0 77 -4,-2.0 5,-2.7 2,-0.2 3,-0.7 0.920 109.6 50.3 -64.0 -45.4 27.6 2.7 2.1 32 34 A V H ><5S+ 0 0 7 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.928 106.7 55.9 -56.1 -44.9 25.0 1.1 -0.2 33 35 A D H 3<5S+ 0 0 46 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.744 110.1 44.9 -62.4 -24.2 27.1 -2.1 -0.3 34 36 A K H <<5S- 0 0 137 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.463 122.0-105.0 -96.5 -5.5 27.0 -2.3 3.5 35 37 A G T <<5S+ 0 0 4 -3,-1.4 2,-0.7 -4,-0.6 -3,-0.2 0.610 74.9 134.9 95.9 16.1 23.2 -1.5 3.7 36 38 A N < + 0 0 98 -5,-2.7 2,-0.3 -6,-0.1 -1,-0.2 -0.869 31.3 179.1-107.6 115.7 23.4 2.1 4.9 37 39 A L - 0 0 18 -2,-0.7 2,-0.3 -3,-0.1 -9,-0.0 -0.737 21.4-168.6-120.9 154.9 21.1 4.4 3.1 38 40 A V - 0 0 67 -2,-0.3 2,-1.8 2,-0.2 6,-0.2 -0.964 37.1-113.4-133.4 154.4 20.0 8.0 3.0 39 41 A N S S+ 0 0 86 -2,-0.3 58,-0.1 4,-0.1 3,-0.0 -0.485 74.0 123.6 -87.8 62.5 17.0 9.5 1.1 40 42 A E >> - 0 0 101 -2,-1.8 4,-2.5 1,-0.1 3,-2.1 -0.995 66.2-129.9-124.0 130.4 19.2 11.5 -1.2 41 43 A P H 3>>S+ 0 0 88 0, 0.0 4,-2.3 0, 0.0 5,-0.7 0.809 104.9 66.0 -53.9 -34.2 18.9 11.0 -5.0 42 44 A S H 345S+ 0 0 29 1,-0.2 -20,-0.1 2,-0.2 -18,-0.1 0.788 117.0 29.1 -60.7 -23.4 22.6 10.5 -5.6 43 45 A I H <>5S+ 0 0 3 -3,-2.1 4,-2.3 3,-0.1 -1,-0.2 0.847 124.9 43.5 -94.8 -51.6 22.2 7.3 -3.6 44 46 A T H X5S+ 0 0 2 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.839 114.9 47.5 -74.0 -34.5 18.6 6.3 -4.3 45 47 A b H X5S+ 0 0 20 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.796 109.8 55.4 -75.0 -30.0 18.6 7.0 -8.0 46 48 A Y H ><>S+ 0 0 42 -4,-2.3 5,-2.3 1,-0.2 3,-1.5 0.919 110.1 51.7 -61.3 -44.6 17.9 -2.4 -10.4 52 54 A E H ><5S+ 0 0 78 -4,-2.8 3,-1.9 1,-0.3 -1,-0.2 0.854 98.8 66.0 -62.6 -33.7 16.7 -1.2 -13.8 53 55 A A T 3<5S+ 0 0 4 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.562 108.5 39.2 -64.9 -12.4 19.8 -2.6 -15.5 54 56 A F T < 5S- 0 0 11 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.102 117.9-109.5-120.4 20.0 18.6 -6.1 -14.6 55 57 A S T < 5S+ 0 0 25 -3,-1.9 -3,-0.2 131,-0.4 12,-0.2 0.645 79.2 132.3 61.4 19.4 14.9 -5.4 -15.3 56 58 A L S - 0 0 52 4,-2.1 3,-0.7 -2,-0.3 -6,-0.1 -0.005 42.8 -91.7 -84.4-169.9 10.6 -0.4 -15.0 59 61 A D T 3 S+ 0 0 105 1,-0.2 36,-0.1 2,-0.1 -1,-0.1 0.156 123.7 58.0 -89.6 17.4 11.1 3.3 -15.7 60 62 A E T 3 S- 0 0 129 2,-0.2 -1,-0.2 35,-0.1 3,-0.1 0.095 121.0 -98.9-131.3 23.7 7.9 4.0 -13.7 61 63 A A S < S+ 0 0 0 -3,-0.7 2,-0.7 1,-0.2 29,-0.3 0.640 74.2 143.2 66.7 21.0 9.0 2.4 -10.3 62 64 A N - 0 0 90 27,-0.1 -4,-2.1 2,-0.0 2,-0.3 -0.829 40.0-148.2 -90.4 117.3 7.1 -0.9 -10.9 63 65 A V B -B 57 0B 28 -2,-0.7 2,-0.9 -6,-0.2 -6,-0.3 -0.608 6.8-138.1 -85.4 139.0 9.2 -3.7 -9.4 64 66 A D > - 0 0 63 -8,-2.3 4,-1.9 -2,-0.3 5,-0.1 -0.842 18.3-174.2 -96.4 100.9 9.1 -7.1 -11.1 65 67 A E H > S+ 0 0 52 -2,-0.9 4,-2.6 1,-0.2 5,-0.2 0.840 80.5 58.9 -67.5 -31.2 8.9 -9.5 -8.1 66 68 A D H > S+ 0 0 130 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.932 107.1 45.5 -65.3 -43.3 9.2 -12.6 -10.3 67 69 A I H > S+ 0 0 8 1,-0.2 4,-1.0 2,-0.2 -2,-0.2 0.936 114.3 51.2 -62.7 -40.8 12.6 -11.5 -11.8 68 70 A M H >X S+ 0 0 25 -4,-1.9 4,-1.0 1,-0.2 3,-0.8 0.911 105.7 52.9 -62.2 -46.9 13.8 -10.6 -8.3 69 71 A L H >< S+ 0 0 18 -4,-2.6 3,-0.5 1,-0.2 -1,-0.2 0.873 103.1 59.4 -61.9 -35.4 12.8 -14.0 -6.8 70 72 A G H 3< S+ 0 0 31 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.793 105.0 49.5 -60.8 -32.7 14.8 -15.8 -9.5 71 73 A L H << S+ 0 0 5 -4,-1.0 -1,-0.2 -3,-0.8 -2,-0.2 0.709 91.6 93.5 -78.4 -25.3 18.1 -14.1 -8.5 72 74 A L S << S- 0 0 5 -4,-1.0 5,-0.1 -3,-0.5 54,-0.0 -0.409 83.4-102.4 -74.2 149.1 17.8 -14.8 -4.7 73 75 A P > - 0 0 4 0, 0.0 3,-1.5 0, 0.0 4,-0.4 -0.277 28.2-110.8 -69.5 160.1 19.5 -17.8 -3.3 74 76 A D G > S+ 0 0 101 1,-0.3 3,-1.3 2,-0.2 4,-0.4 0.851 113.7 57.1 -58.5 -42.9 17.6 -21.0 -2.3 75 77 A Q G 3 S+ 0 0 119 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.583 110.5 45.0 -72.8 -9.4 18.1 -20.6 1.4 76 78 A L G <> S+ 0 0 11 -3,-1.5 4,-3.4 2,-0.1 5,-0.3 0.332 82.7 99.9-109.4 3.1 16.4 -17.1 1.4 77 79 A Q H <> S+ 0 0 56 -3,-1.3 4,-2.5 -4,-0.4 5,-0.2 0.905 83.7 45.2 -56.7 -48.7 13.4 -17.9 -0.9 78 80 A E H > S+ 0 0 148 -4,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.936 118.6 43.0 -65.7 -44.8 10.8 -18.3 1.9 79 81 A R H > S+ 0 0 104 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.930 114.1 51.3 -65.3 -45.3 11.9 -15.2 3.7 80 82 A A H X S+ 0 0 8 -4,-3.4 4,-2.7 1,-0.2 5,-0.3 0.913 107.7 52.2 -60.3 -41.8 12.3 -13.2 0.5 81 83 A Q H X S+ 0 0 111 -4,-2.5 4,-1.8 -5,-0.3 -1,-0.2 0.916 113.1 45.4 -57.8 -43.8 8.8 -14.2 -0.6 82 84 A S H X S+ 0 0 87 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.929 113.7 47.5 -67.5 -44.2 7.4 -13.0 2.7 83 85 A V H X S+ 0 0 16 -4,-2.7 4,-1.8 1,-0.2 3,-0.4 0.940 113.4 47.5 -64.5 -45.4 9.3 -9.7 2.8 84 86 A M H X S+ 0 0 12 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.868 107.0 57.6 -69.4 -30.8 8.5 -8.8 -0.8 85 87 A G H < S+ 0 0 54 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.860 112.7 42.2 -62.1 -33.7 4.8 -9.6 -0.2 86 88 A K H < S+ 0 0 142 -4,-1.4 -2,-0.2 -3,-0.4 -1,-0.2 0.787 119.4 41.6 -76.9 -33.7 4.9 -7.1 2.6 87 89 A c H < S+ 0 0 10 -4,-1.8 -2,-0.2 -5,-0.1 -3,-0.2 0.411 94.0 118.0-106.9 -2.8 6.9 -4.4 0.9 88 90 A L < + 0 0 30 -4,-1.4 2,-0.2 -5,-0.2 3,-0.0 -0.908 44.9 47.2-118.7 152.8 5.4 -4.3 -2.7 89 91 A P S S- 0 0 121 0, 0.0 -27,-0.1 0, 0.0 0, 0.0 0.546 92.5-113.9 -73.7 167.0 4.0 -2.6 -4.6 90 92 A T - 0 0 27 -29,-0.3 2,-0.3 -2,-0.2 9,-0.1 -0.178 33.4-174.4 -66.1 157.1 6.2 0.4 -4.2 91 93 A S + 0 0 92 7,-0.4 2,-0.3 6,-0.1 10,-0.2 -0.984 24.2 101.1-152.0 144.4 5.0 3.7 -2.7 92 94 A G S S- 0 0 32 -2,-0.3 6,-0.1 9,-0.1 3,-0.1 -0.968 72.8 -70.7 161.0-174.6 6.6 7.1 -2.4 93 95 A S S S- 0 0 93 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.615 103.5 -11.8 -87.6 -16.5 7.0 10.7 -3.6 94 96 A D S > S- 0 0 80 1,-0.1 4,-2.2 -3,-0.0 5,-0.2 -0.937 86.1 -75.0-170.8 174.4 8.9 10.0 -6.8 95 97 A N H > S+ 0 0 63 -2,-0.3 4,-1.1 1,-0.2 -1,-0.1 0.919 127.6 39.7 -52.6 -53.0 10.7 7.2 -8.7 96 98 A b H > S+ 0 0 18 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.872 113.3 54.5 -71.5 -36.9 13.9 7.2 -6.6 97 99 A N H > S+ 0 0 16 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.842 102.0 59.5 -65.1 -32.6 12.1 7.7 -3.3 98 100 A K H X S+ 0 0 55 -4,-2.2 4,-1.9 1,-0.2 -7,-0.4 0.892 106.7 46.8 -58.4 -38.8 9.9 4.7 -4.0 99 101 A I H X S+ 0 0 3 -4,-1.1 4,-2.7 2,-0.2 -2,-0.2 0.886 109.6 54.0 -72.7 -36.3 13.1 2.6 -4.1 100 102 A Y H X S+ 0 0 43 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.960 110.2 46.8 -58.3 -46.4 14.3 4.3 -0.9 101 103 A N H X S+ 0 0 60 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.863 110.7 52.5 -67.9 -34.4 11.1 3.2 0.8 102 104 A L H X S+ 0 0 15 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.948 110.4 47.7 -62.8 -50.0 11.4 -0.3 -0.6 103 105 A A H X S+ 0 0 8 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.909 113.0 48.4 -57.2 -43.6 14.9 -0.7 0.7 104 106 A K H X S+ 0 0 85 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.885 110.7 51.4 -68.2 -35.8 13.8 0.6 4.2 105 107 A c H X S+ 0 0 34 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.917 110.8 47.6 -65.3 -43.6 10.9 -1.7 4.3 106 108 A V H X S+ 0 0 21 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.889 112.3 49.9 -63.9 -38.6 13.0 -4.7 3.5 107 109 A Q H < S+ 0 0 34 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.854 111.4 48.4 -69.5 -35.8 15.6 -3.7 6.1 108 110 A E H < S+ 0 0 156 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.898 116.7 43.2 -67.7 -42.2 12.9 -3.3 8.8 109 111 A S H < S+ 0 0 34 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.823 132.7 18.9 -71.6 -37.5 11.4 -6.7 7.9 110 112 A A >< + 0 0 4 -4,-2.2 3,-1.8 -5,-0.2 -1,-0.3 -0.678 68.4 175.2-136.0 75.2 14.7 -8.6 7.6 111 113 A P T 3 S+ 0 0 86 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.630 78.7 53.8 -61.9 -16.3 17.4 -6.6 9.4 112 114 A D T 3 S+ 0 0 80 9,-0.2 10,-2.5 8,-0.0 2,-0.5 0.350 96.6 76.0 -98.6 1.4 20.0 -9.3 8.9 113 115 A V E < +c 122 0C 10 -3,-1.8 2,-0.3 8,-0.2 10,-0.2 -0.961 46.6 161.8-122.7 123.9 19.7 -9.6 5.1 114 116 A W E -c 123 0C 20 8,-1.8 10,-2.9 -2,-0.5 2,-0.4 -0.982 19.0-156.1-140.2 134.3 21.0 -7.2 2.5 115 117 A F E -c 124 0C 49 -2,-0.3 2,-0.3 8,-0.2 10,-0.2 -0.869 11.5-177.3-115.3 140.4 21.6 -8.0 -1.2 116 118 A V E c 125 0C 20 8,-2.5 10,-2.4 -2,-0.4 11,-0.4 -0.936 360.0 360.0-131.3 153.6 24.0 -6.3 -3.6 117 119 A I 0 0 35 -2,-0.3 8,-0.1 8,-0.2 -66,-0.0 -0.375 360.0 360.0 -50.5 360.0 24.8 -6.6 -7.3 118 !* 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 0.0 119 5 B V 0 0 183 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 134.4 24.7 -5.8 14.0 120 6 B P - 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0 0 65 4,-1.6 3,-1.9 -2,-0.3 -6,-0.1 -0.208 50.5 -74.5 -94.9-168.9 12.5 -19.6 -20.4 175 61 B D T 3 S+ 0 0 105 1,-0.3 36,-0.1 2,-0.1 -7,-0.0 0.473 133.4 48.9 -76.3 3.0 12.5 -23.4 -19.7 176 62 B E T 3 S- 0 0 103 2,-0.1 -1,-0.3 35,-0.1 3,-0.1 0.128 119.0-106.3-119.8 18.7 13.0 -24.1 -23.4 177 63 B A < + 0 0 0 -3,-1.9 2,-0.5 1,-0.3 29,-0.2 0.763 67.3 152.4 61.3 28.7 15.9 -21.7 -23.9 178 64 B N - 0 0 75 27,-0.1 -4,-1.6 26,-0.0 -1,-0.3 -0.789 45.6-122.9 -83.7 132.0 13.8 -19.2 -25.8 179 65 B V B -D 173 0D 26 -2,-0.5 2,-1.0 -6,-0.2 -6,-0.3 -0.537 5.7-140.9 -81.6 138.5 15.2 -15.7 -25.3 180 66 B D > - 0 0 74 -8,-2.6 4,-2.5 -2,-0.2 3,-0.4 -0.848 19.5-163.6 -95.3 99.4 13.0 -13.0 -23.8 181 67 B E H > S+ 0 0 77 -2,-1.0 4,-3.0 1,-0.2 5,-0.3 0.845 81.9 55.8 -62.4 -34.3 14.3 -10.2 -26.1 182 68 B D H > S+ 0 0 133 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.900 111.8 43.1 -65.7 -38.4 12.9 -7.4 -23.9 183 69 B I H 4 S+ 0 0 25 -3,-0.4 4,-0.4 2,-0.2 -2,-0.2 0.908 114.4 50.8 -74.7 -38.1 14.7 -8.6 -20.8 184 70 B M H >< S+ 0 0 26 -4,-2.5 3,-1.6 1,-0.2 4,-0.2 0.962 112.5 44.9 -63.5 -49.0 17.9 -9.3 -22.8 185 71 B L H >< S+ 0 0 15 -4,-3.0 3,-1.8 1,-0.3 -1,-0.2 0.848 103.4 69.9 -61.6 -30.2 18.0 -5.8 -24.4 186 72 B G T 3< S+ 0 0 27 -4,-1.4 -131,-0.4 -5,-0.3 -1,-0.3 0.622 86.1 65.5 -63.9 -15.7 17.2 -4.5 -20.9 187 73 B L T < S+ 0 0 20 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.625 94.4 74.8 -75.1 -17.6 20.6 -5.5 -19.6 188 74 B L S < S- 0 0 33 -3,-1.8 5,-0.1 -4,-0.2 -178,-0.0 -0.674 85.3-104.5-108.6 150.9 22.3 -2.9 -21.9 189 75 B P > - 0 0 29 0, 0.0 3,-1.6 0, 0.0 4,-0.4 -0.244 39.1-104.3 -65.0 164.0 22.7 0.8 -21.9 190 76 B D G > S+ 0 0 140 1,-0.3 3,-1.5 2,-0.2 4,-0.4 0.857 118.3 61.3 -55.5 -38.7 20.6 3.0 -24.3 191 77 B Q G 3 S+ 0 0 153 1,-0.3 -1,-0.3 2,-0.1 4,-0.3 0.682 105.6 47.0 -66.8 -20.6 23.6 3.6 -26.5 192 78 B L G <> S+ 0 0 51 -3,-1.6 4,-2.5 1,-0.1 -1,-0.3 0.405 82.5 97.0-100.2 1.5 24.0 -0.2 -27.3 193 79 B Q H <> S+ 0 0 45 -3,-1.5 4,-2.7 -4,-0.4 5,-0.2 0.899 84.0 47.5 -62.7 -42.1 20.3 -1.0 -28.1 194 80 B E H > S+ 0 0 160 -4,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.932 113.6 47.6 -68.5 -45.3 20.6 -0.7 -31.8 195 81 B R H > S+ 0 0 99 -4,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.896 113.9 47.8 -55.1 -44.3 23.7 -2.9 -32.0 196 82 B A H X S+ 0 0 14 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.913 108.5 54.1 -67.5 -42.9 22.1 -5.4 -29.7 197 83 B Q H X S+ 0 0 98 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.876 108.3 50.9 -56.4 -38.9 18.9 -5.5 -31.8 198 84 B S H X S+ 0 0 56 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.922 110.0 48.0 -67.9 -43.6 21.0 -6.2 -34.8 199 85 B V H >X S+ 0 0 12 -4,-2.0 4,-1.6 1,-0.2 3,-0.6 0.939 111.3 51.4 -61.9 -43.3 22.8 -9.2 -33.1 200 86 B M H 3X S+ 0 0 15 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.833 104.4 57.9 -66.0 -31.1 19.4 -10.5 -31.9 201 87 B G H 3< S+ 0 0 62 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.848 113.0 39.7 -62.3 -32.5 18.1 -10.3 -35.5 202 88 B K H << S+ 0 0 131 -4,-1.3 -2,-0.2 -3,-0.6 -1,-0.2 0.710 124.4 36.4 -83.9 -26.2 20.9 -12.6 -36.6 203 89 B f H < S+ 0 0 13 -4,-1.6 -2,-0.2 -5,-0.1 -3,-0.2 0.543 92.2 119.1-114.5 -8.2 20.9 -15.0 -33.7 204 90 B L < + 0 0 34 -4,-1.9 2,-0.1 -5,-0.2 -26,-0.0 -0.851 49.7 46.2-113.5 151.8 17.2 -15.4 -32.6 205 91 B P S S- 0 0 116 0, 0.0 -27,-0.1 0, 0.0 2,-0.0 0.562 89.2-126.9 -73.1 156.7 15.2 -17.5 -32.4 206 92 B T - 0 0 16 -29,-0.2 2,-0.3 -2,-0.1 8,-0.1 -0.277 29.6-176.2 -64.3 153.3 17.5 -20.0 -30.6 207 93 B S + 0 0 81 7,-0.4 2,-0.3 6,-0.1 10,-0.2 -0.989 19.4 111.2-150.3 153.6 17.9 -23.5 -32.0 208 94 B G - 0 0 32 -2,-0.3 6,-0.1 1,-0.1 3,-0.0 -0.889 69.6 -78.2 158.5 176.3 19.8 -26.7 -30.9 209 95 B S S S- 0 0 100 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 0.699 105.6 -6.8 -80.3 -20.3 19.4 -30.2 -29.6 210 96 B D S > S- 0 0 81 -3,-0.1 4,-2.7 -33,-0.0 5,-0.2 -0.911 87.6 -81.5-159.4 176.6 18.7 -29.3 -26.0 211 97 B N H > S+ 0 0 38 -2,-0.3 4,-1.6 1,-0.2 5,-0.1 0.878 127.2 49.1 -59.4 -37.2 18.6 -26.3 -23.8 212 98 B e H > S+ 0 0 15 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.936 112.5 46.1 -70.3 -43.2 22.4 -26.3 -23.3 213 99 B N H > S+ 0 0 24 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.871 107.7 58.6 -69.6 -33.4 23.2 -26.7 -27.0 214 100 B K H X S+ 0 0 42 -4,-2.7 4,-2.0 2,-0.2 -7,-0.4 0.922 109.6 44.2 -55.2 -45.0 20.7 -23.9 -27.8 215 101 B I H X S+ 0 0 4 -4,-1.6 4,-3.0 2,-0.2 -2,-0.2 0.889 110.1 54.2 -73.7 -36.6 22.7 -21.6 -25.6 216 102 B Y H X S+ 0 0 38 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.951 111.3 46.5 -54.3 -47.7 26.1 -22.8 -27.0 217 103 B N H X S+ 0 0 59 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.884 112.6 49.8 -67.2 -36.5 24.8 -22.0 -30.4 218 104 B L H X S+ 0 0 13 -4,-2.0 4,-2.9 -5,-0.2 5,-0.2 0.943 110.8 49.1 -61.6 -52.6 23.5 -18.6 -29.3 219 105 B A H X S+ 0 0 12 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.901 111.4 49.3 -56.0 -45.9 26.8 -17.7 -27.6 220 106 B K H X S+ 0 0 61 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.903 112.2 48.5 -60.4 -41.6 28.8 -18.7 -30.7 221 107 B f H X S+ 0 0 30 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.925 112.1 48.1 -65.3 -43.8 26.4 -16.6 -32.9 222 108 B V H X S+ 0 0 40 -4,-2.9 4,-1.2 2,-0.2 -2,-0.2 0.899 113.1 49.1 -63.4 -41.2 26.7 -13.5 -30.5 223 109 B Q H < S+ 0 0 17 -4,-2.4 3,-0.3 -5,-0.2 -2,-0.2 0.935 114.7 43.3 -64.0 -48.5 30.5 -13.9 -30.5 224 110 B E H < S+ 0 0 134 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.839 113.3 52.7 -67.0 -33.5 30.8 -14.1 -34.3 225 111 B S H < S+ 0 0 39 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.737 126.1 21.5 -75.1 -24.1 28.3 -11.3 -34.8 226 112 B A S >< S+ 0 0 8 -4,-1.2 3,-1.5 -3,-0.3 -1,-0.3 -0.560 72.7 165.2-142.3 68.2 30.1 -8.8 -32.6 227 113 B P T 3 + 0 0 80 0, 0.0 -224,-0.2 0, 0.0 -3,-0.1 0.672 68.9 65.3 -68.4 -17.0 33.7 -10.2 -32.4 228 114 B D T 3 S+ 0 0 90 -223,-0.2 -222,-2.2 -3,-0.1 2,-0.3 0.643 106.4 36.4 -76.4 -20.4 35.1 -7.0 -31.0 229 115 B V E < -a 6 0A 27 -3,-1.5 2,-0.3 -224,-0.2 -222,-0.2 -0.931 56.9-166.7-139.6 154.7 33.2 -7.2 -27.7 230 116 B W E -a 7 0A 22 -224,-1.7 -222,-2.7 -2,-0.3 2,-0.4 -0.924 12.9-152.2-148.8 114.6 32.1 -9.8 -25.2 231 117 B F E +a 8 0A 69 -2,-0.3 2,-0.3 -224,-0.2 -222,-0.2 -0.776 16.3 178.9 -92.8 135.4 29.5 -9.2 -22.5 232 118 B V E a 9 0A 14 -224,-2.6 -222,-2.8 -2,-0.4 -221,-0.3 -0.995 360.0 360.0-140.1 142.3 29.6 -11.2 -19.2 233 119 B I 0 0 27 -2,-0.3 -224,-0.1 -224,-0.2 -84,-0.0 -0.361 360.0 360.0 -70.1 360.0 27.4 -11.0 -16.1