==== 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 3CYZ . 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 . 231 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11722.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 163 70.6 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 . 11 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 45.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 3.5 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 1 1 2 0 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 4 A W 0 0 169 0, 0.0 222,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 132.4 39.7 -16.0 -33.7 2 5 A V - 0 0 115 224,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.944 360.0 -96.3-122.7 142.4 41.2 -12.9 -32.1 3 6 A P - 0 0 93 0, 0.0 147,-0.1 0, 0.0 2,-0.1 -0.423 42.7-136.6 -61.8 128.3 40.8 -12.3 -28.4 4 7 A P - 0 0 17 0, 0.0 2,-0.6 0, 0.0 224,-0.2 -0.398 20.8-103.4 -77.6 162.8 37.9 -9.9 -27.7 5 8 A E E -a 228 0A 125 222,-2.3 224,-1.9 -2,-0.1 2,-0.4 -0.788 44.8-139.6 -78.6 123.5 37.9 -7.0 -25.3 6 9 A V E -a 229 0A 60 -2,-0.6 2,-0.5 222,-0.2 224,-0.2 -0.754 16.8-164.8 -95.6 135.7 36.0 -8.4 -22.3 7 10 A F E -a 230 0A 37 222,-2.5 224,-2.3 -2,-0.4 2,-0.7 -0.978 14.8-143.8-122.4 125.0 33.4 -6.3 -20.4 8 11 A D E > -a 231 0A 74 -2,-0.5 4,-2.8 222,-0.2 5,-0.3 -0.765 12.6-151.8 -82.1 111.1 32.1 -7.2 -17.0 9 12 A L H > S+ 0 0 7 222,-2.7 4,-2.7 -2,-0.7 5,-0.2 0.855 94.3 51.0 -54.2 -41.7 28.4 -6.1 -17.1 10 13 A V H > S+ 0 0 15 221,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.948 113.3 44.2 -63.6 -48.5 28.3 -5.5 -13.3 11 14 A A H > S+ 0 0 47 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.904 115.8 47.4 -61.1 -44.0 31.5 -3.4 -13.3 12 15 A E H X S+ 0 0 92 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.871 111.2 51.3 -68.2 -38.3 30.4 -1.5 -16.4 13 16 A D H X S+ 0 0 3 -4,-2.7 4,-2.9 -5,-0.3 5,-0.2 0.886 110.7 48.2 -63.2 -42.3 26.9 -0.8 -14.9 14 17 A K H X S+ 0 0 57 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.925 112.1 49.9 -65.6 -42.0 28.4 0.4 -11.6 15 18 A A H X S+ 0 0 59 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.931 116.2 42.0 -60.9 -44.5 30.8 2.7 -13.5 16 19 A R H X S+ 0 0 67 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.922 115.0 48.7 -68.8 -47.8 28.0 4.1 -15.6 17 20 A a H X S+ 0 0 0 -4,-2.9 4,-1.2 2,-0.2 6,-0.3 0.900 110.9 50.8 -62.6 -40.8 25.4 4.5 -12.8 18 21 A M H X>S+ 0 0 52 -4,-2.4 5,-1.5 -5,-0.2 4,-0.8 0.940 113.4 45.5 -64.4 -42.8 27.9 6.2 -10.6 19 22 A S H ><5S+ 0 0 100 -4,-1.9 3,-0.6 -5,-0.2 -2,-0.2 0.914 111.6 51.4 -67.3 -39.5 28.8 8.7 -13.3 20 23 A E H 3<5S+ 0 0 115 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.663 119.5 35.4 -74.8 -13.1 25.2 9.4 -14.3 21 24 A H H 3<5S- 0 0 66 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.334 105.5-116.7-124.7 9.2 24.1 10.1 -10.7 22 25 A G T <<5 + 0 0 59 -4,-0.8 2,-0.2 -3,-0.6 -3,-0.2 0.738 53.7 168.3 68.0 24.7 27.2 11.9 -9.3 23 26 A T < - 0 0 7 -5,-1.5 2,-0.2 -6,-0.3 -1,-0.2 -0.506 26.8-139.2 -76.1 136.9 27.8 9.1 -6.7 24 27 A T > - 0 0 67 -2,-0.2 4,-1.8 1,-0.1 5,-0.1 -0.607 21.1-118.2 -86.4 157.1 31.0 9.0 -4.8 25 28 A Q H > S+ 0 0 99 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.893 117.1 57.6 -60.9 -37.6 32.9 5.8 -4.1 26 29 A A H > S+ 0 0 59 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.921 106.7 49.4 -57.1 -43.8 32.4 6.5 -0.3 27 30 A Q H > S+ 0 0 23 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.883 110.2 49.0 -60.6 -42.2 28.7 6.6 -1.0 28 31 A I H X S+ 0 0 6 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.918 109.6 53.1 -67.2 -39.0 28.8 3.3 -2.9 29 32 A D H X S+ 0 0 61 -4,-2.9 4,-0.8 2,-0.2 -2,-0.2 0.892 109.6 48.6 -62.2 -40.9 30.8 1.7 -0.0 30 33 A D H ><>S+ 0 0 79 -4,-2.3 5,-2.5 2,-0.2 3,-0.9 0.946 111.8 48.7 -61.8 -48.8 28.1 2.8 2.4 31 34 A V H ><5S+ 0 0 7 -4,-2.3 3,-1.4 1,-0.3 -2,-0.2 0.878 107.1 56.1 -59.1 -42.2 25.4 1.4 0.2 32 35 A D H 3<5S+ 0 0 42 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.699 107.6 49.5 -65.6 -21.5 27.3 -1.9 -0.1 33 36 A K T <<5S- 0 0 124 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.464 123.7-104.9 -95.3 -2.4 27.3 -2.1 3.7 34 37 A G T < 5S+ 0 0 5 -3,-1.4 2,-0.8 -4,-0.4 -3,-0.2 0.508 77.5 134.5 96.6 7.0 23.5 -1.4 3.9 35 38 A N < - 0 0 102 -5,-2.5 2,-0.3 -6,-0.2 -1,-0.2 -0.799 33.2-179.3 -99.1 111.3 23.8 2.2 5.1 36 39 A L - 0 0 19 -2,-0.8 2,-0.3 -3,-0.1 -9,-0.0 -0.727 20.4-169.1-116.6 153.4 21.4 4.4 3.2 37 40 A V - 0 0 68 -2,-0.3 2,-2.0 2,-0.2 6,-0.2 -0.978 35.9-114.0-135.2 149.1 20.4 8.0 3.0 38 41 A N S S+ 0 0 90 -2,-0.3 58,-0.1 4,-0.1 3,-0.0 -0.457 72.9 122.8 -84.3 68.0 17.5 9.5 1.1 39 42 A E >> - 0 0 79 -2,-2.0 4,-2.5 1,-0.1 3,-2.4 -0.998 66.9-129.2-129.5 130.9 19.6 11.5 -1.4 40 43 A P H 3>>S+ 0 0 84 0, 0.0 4,-2.7 0, 0.0 5,-0.7 0.798 105.9 65.3 -50.6 -33.8 19.3 11.0 -5.1 41 44 A S H 345S+ 0 0 29 1,-0.2 -20,-0.1 2,-0.2 -18,-0.1 0.792 117.7 28.5 -62.0 -23.7 23.1 10.5 -5.6 42 45 A I H <>5S+ 0 0 3 -3,-2.4 4,-2.3 -5,-0.1 -1,-0.2 0.839 125.8 43.2 -94.2 -50.5 22.6 7.3 -3.5 43 46 A T H X5S+ 0 0 2 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.853 114.6 48.0 -76.4 -35.5 19.0 6.3 -4.3 44 47 A b H X5S+ 0 0 19 -4,-2.7 4,-2.4 -5,-0.3 -1,-0.2 0.811 110.2 55.5 -73.7 -28.5 19.1 7.0 -8.1 45 48 A Y H ><>S+ 0 0 24 -4,-2.2 5,-2.5 1,-0.2 3,-1.4 0.897 109.7 53.2 -64.5 -42.0 18.4 -2.5 -10.4 51 54 A E H ><5S+ 0 0 76 -4,-2.7 3,-1.9 1,-0.3 -2,-0.2 0.851 97.1 66.3 -64.4 -34.7 17.2 -1.3 -13.8 52 55 A A T 3<5S+ 0 0 5 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.537 108.6 39.2 -65.3 -12.1 20.3 -2.7 -15.5 53 56 A F T < 5S- 0 0 5 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.093 118.2-108.4-120.4 19.1 19.1 -6.2 -14.6 54 57 A S T < 5S+ 0 0 21 -3,-1.9 -3,-0.2 131,-0.4 12,-0.2 0.760 81.6 129.7 64.3 25.8 15.4 -5.6 -15.3 55 58 A L S - 0 0 61 4,-1.7 3,-0.9 -2,-0.3 -6,-0.1 -0.257 45.3 -84.7 -91.0-170.4 11.5 -0.7 -15.2 58 61 A D T 3 S+ 0 0 104 1,-0.2 36,-0.1 2,-0.1 -7,-0.0 0.298 124.6 57.6 -82.8 12.1 11.7 3.1 -15.8 59 62 A E T 3 S- 0 0 130 2,-0.2 -1,-0.2 35,-0.1 3,-0.1 0.047 120.1 -98.5-127.2 21.6 8.5 3.9 -13.8 60 63 A A S < S+ 0 0 0 -3,-0.9 2,-0.7 1,-0.2 29,-0.3 0.651 74.0 144.7 70.0 22.8 9.6 2.3 -10.4 61 64 A N - 0 0 88 27,-0.1 -4,-1.7 26,-0.0 2,-0.3 -0.839 40.5-144.8 -93.2 120.0 7.7 -1.0 -10.9 62 65 A V B -B 56 0B 37 -2,-0.7 2,-0.9 -6,-0.2 -6,-0.3 -0.595 5.7-136.9 -84.9 136.2 9.7 -3.8 -9.4 63 66 A D > - 0 0 66 -8,-2.5 4,-2.1 -2,-0.3 5,-0.1 -0.824 17.5-171.4 -95.5 101.9 9.7 -7.3 -11.1 64 67 A E H > S+ 0 0 65 -2,-0.9 4,-2.4 1,-0.2 -1,-0.2 0.831 81.5 54.5 -61.7 -36.3 9.3 -9.7 -8.2 65 68 A D H > S+ 0 0 121 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.914 107.8 47.8 -70.5 -41.2 9.9 -12.8 -10.4 66 69 A I H > S+ 0 0 8 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.951 112.2 51.6 -63.9 -45.0 13.2 -11.6 -11.8 67 70 A M H >X S+ 0 0 16 -4,-2.1 4,-1.3 1,-0.2 3,-0.6 0.912 106.0 53.3 -56.2 -47.8 14.3 -10.7 -8.3 68 71 A L H 3< S+ 0 0 20 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.875 103.9 57.4 -59.3 -36.4 13.5 -14.2 -6.9 69 72 A G H 3< S+ 0 0 25 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.846 107.7 47.3 -62.9 -32.2 15.6 -15.8 -9.6 70 73 A L H << S+ 0 0 4 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.784 94.2 92.1 -79.2 -28.0 18.7 -13.9 -8.5 71 74 A L S < S- 0 0 12 -4,-1.3 5,-0.1 -3,-0.2 54,-0.0 -0.365 83.6-107.2 -72.9 145.4 18.2 -14.6 -4.8 72 75 A P > - 0 0 6 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.306 30.9-105.8 -67.6 157.9 19.9 -17.6 -3.3 73 76 A D G > S+ 0 0 111 1,-0.3 3,-1.5 2,-0.2 4,-0.4 0.837 116.1 61.4 -49.9 -44.7 17.9 -20.7 -2.2 74 77 A Q G 3 S+ 0 0 126 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.632 106.7 45.2 -65.4 -15.5 18.2 -19.9 1.5 75 78 A L G <> S+ 0 0 10 -3,-1.9 4,-2.8 2,-0.1 -1,-0.3 0.358 83.8 97.6-105.5 1.8 16.4 -16.5 1.1 76 79 A Q H <> S+ 0 0 48 -3,-1.5 4,-1.7 -4,-0.3 -2,-0.1 0.942 85.4 42.3 -62.1 -50.3 13.5 -17.6 -1.1 77 80 A E H > S+ 0 0 141 -4,-0.4 4,-1.3 1,-0.2 3,-0.3 0.946 118.9 44.7 -66.3 -48.4 10.8 -18.1 1.6 78 81 A R H > S+ 0 0 102 -4,-0.2 4,-2.8 1,-0.2 3,-0.5 0.927 108.8 58.1 -58.1 -41.9 11.7 -15.0 3.5 79 82 A A H X S+ 0 0 13 -4,-2.8 4,-3.0 1,-0.3 5,-0.3 0.862 102.3 54.8 -60.1 -36.6 11.9 -13.0 0.2 80 83 A Q H X S+ 0 0 107 -4,-1.7 4,-1.5 -3,-0.3 -1,-0.3 0.876 111.9 42.8 -63.6 -38.7 8.3 -13.9 -0.6 81 84 A S H X S+ 0 0 90 -4,-1.3 4,-1.7 -3,-0.5 -2,-0.2 0.896 115.3 49.4 -73.7 -40.6 7.0 -12.5 2.7 82 85 A V H X S+ 0 0 15 -4,-2.8 4,-2.6 1,-0.2 3,-0.3 0.948 112.9 45.7 -67.1 -46.5 9.3 -9.4 2.6 83 86 A M H X S+ 0 0 18 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.867 108.2 58.4 -65.8 -33.7 8.3 -8.5 -1.0 84 87 A G H < S+ 0 0 54 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.880 114.3 38.0 -60.3 -35.2 4.6 -9.2 -0.1 85 88 A K H < S+ 0 0 110 -4,-1.7 -2,-0.2 -3,-0.3 -1,-0.2 0.872 123.0 40.5 -78.1 -40.5 4.9 -6.5 2.6 86 89 A c H < S+ 0 0 12 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.496 94.7 113.7 -98.8 -7.8 7.2 -4.1 0.7 87 90 A L < + 0 0 28 -4,-2.0 2,-0.2 -5,-0.2 -26,-0.0 -0.889 47.7 48.5-116.7 153.9 5.7 -4.1 -2.8 88 91 A P S S- 0 0 117 0, 0.0 -27,-0.1 0, 0.0 0, 0.0 0.574 93.5-116.4 -69.9 160.5 4.3 -2.3 -4.8 89 92 A T - 0 0 23 -29,-0.3 2,-0.3 -2,-0.2 8,-0.1 -0.272 33.6-174.6 -62.6 151.7 6.7 0.6 -4.3 90 93 A S + 0 0 84 7,-0.4 2,-0.3 -4,-0.2 10,-0.2 -0.987 23.9 103.2-146.4 147.2 5.5 3.9 -2.9 91 94 A G S S- 0 0 38 -2,-0.3 6,-0.1 9,-0.1 3,-0.1 -0.962 74.4 -68.2 163.1-172.6 7.3 7.3 -2.5 92 95 A S S S- 0 0 90 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.642 105.1 -15.1 -83.1 -20.8 7.8 10.8 -3.8 93 96 A D S > S- 0 0 84 1,-0.1 4,-2.2 -3,-0.0 5,-0.2 -0.936 87.3 -71.0-169.6 177.3 9.5 9.9 -7.1 94 97 A N H > S+ 0 0 60 -2,-0.3 4,-1.1 1,-0.2 -1,-0.1 0.916 127.9 40.8 -51.1 -53.1 11.3 7.1 -8.8 95 98 A b H > S+ 0 0 18 1,-0.2 4,-2.2 2,-0.2 3,-0.3 0.884 112.5 53.3 -72.7 -37.8 14.4 7.1 -6.7 96 99 A N H > S+ 0 0 15 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.839 102.9 59.8 -65.2 -31.8 12.7 7.7 -3.4 97 100 A K H X S+ 0 0 56 -4,-2.2 4,-1.9 2,-0.2 -7,-0.4 0.899 107.0 46.1 -57.0 -40.5 10.4 4.7 -4.1 98 101 A I H X S+ 0 0 4 -4,-1.1 4,-2.5 -3,-0.3 -2,-0.2 0.872 110.7 53.5 -72.9 -38.5 13.6 2.6 -4.3 99 102 A Y H X S+ 0 0 41 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.965 110.3 46.9 -52.7 -53.7 14.8 4.2 -1.0 100 103 A N H X S+ 0 0 58 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.850 111.1 51.8 -59.8 -39.3 11.5 3.3 0.7 101 104 A L H X S+ 0 0 28 -4,-1.9 4,-2.7 -5,-0.2 -1,-0.2 0.947 109.9 48.4 -61.9 -48.3 11.8 -0.3 -0.6 102 105 A A H X S+ 0 0 8 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.919 113.4 47.8 -58.0 -44.1 15.3 -0.7 0.7 103 106 A K H X S+ 0 0 86 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.882 110.5 51.7 -67.1 -37.0 14.3 0.7 4.1 104 107 A c H X S+ 0 0 27 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.919 110.6 48.9 -64.5 -42.5 11.2 -1.7 4.1 105 108 A V H X S+ 0 0 34 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.927 111.0 49.5 -62.1 -47.4 13.5 -4.6 3.4 106 109 A Q H < S+ 0 0 37 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.851 111.4 49.6 -62.3 -36.7 15.9 -3.6 6.1 107 110 A E H < S+ 0 0 122 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.895 116.3 41.1 -65.1 -43.5 13.1 -3.3 8.6 108 111 A S H < S+ 0 0 48 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.810 133.1 21.4 -75.0 -31.9 11.6 -6.7 7.8 109 112 A A >< + 0 0 5 -4,-2.4 3,-1.7 -5,-0.2 -1,-0.3 -0.701 66.4 174.6-140.6 76.2 14.9 -8.5 7.5 110 113 A P T 3 S+ 0 0 90 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.598 79.1 55.6 -64.8 -13.8 17.6 -6.6 9.4 111 114 A D T 3 S+ 0 0 83 9,-0.2 10,-2.3 1,-0.0 2,-0.4 0.286 96.8 78.3 -99.4 7.9 20.2 -9.3 8.8 112 115 A V E < +c 121 0C 17 -3,-1.7 2,-0.3 8,-0.2 10,-0.2 -0.964 44.8 142.4-128.6 129.8 20.0 -9.4 5.1 113 116 A W E -c 122 0C 24 8,-2.2 10,-3.3 -2,-0.4 2,-0.3 -0.957 24.2-151.9-148.8 165.8 21.3 -7.1 2.4 114 117 A F E -c 123 0C 52 -2,-0.3 2,-0.4 8,-0.3 10,-0.2 -0.970 13.8-149.0-141.9 158.2 22.8 -7.5 -1.0 115 118 A V E c 124 0C 24 8,-2.4 10,-2.1 -2,-0.3 11,-0.4 -0.966 360.0 360.0-117.0 138.7 25.1 -6.1 -3.6 116 119 A I 0 0 21 -2,-0.4 10,-1.8 8,-0.2 11,-0.2 0.996 360.0 360.0 -57.7 360.0 24.2 -6.6 -7.2 117 !* 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 0.0 118 5 B V 0 0 181 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 118.0 24.9 -6.2 14.0 119 6 B P - 0 0 113 0, 0.0 -85,-0.1 0, 0.0 3,-0.0 -0.323 360.0-102.4 -58.6 148.3 25.7 -5.3 10.4 120 7 B P - 0 0 30 0, 0.0 2,-0.4 0, 0.0 -8,-0.2 -0.307 33.1-104.9 -68.4 154.0 23.6 -7.2 7.9 121 8 B E E -c 112 0C 113 -10,-2.3 -8,-2.2 -3,-0.1 2,-0.7 -0.686 38.2-141.6 -73.6 129.7 25.0 -10.2 6.1 122 9 B V E -c 113 0C 57 -2,-0.4 2,-0.4 -10,-0.2 -8,-0.3 -0.854 10.8-154.7-104.5 116.3 25.6 -8.9 2.6 123 10 B F E -c 114 0C 4 -10,-3.3 -8,-2.4 -2,-0.7 2,-1.0 -0.698 10.6-143.4 -89.1 132.3 24.9 -11.3 -0.3 124 11 B D E > -c 115 0C 72 -2,-0.4 4,-2.4 -10,-0.2 5,-0.2 -0.814 18.5-164.3 -91.8 100.9 26.7 -10.9 -3.6 125 12 B L H > S+ 0 0 0 -10,-2.1 4,-2.4 -2,-1.0 -1,-0.2 0.880 83.7 46.2 -61.0 -44.9 23.8 -11.9 -5.9 126 13 B V H > S+ 0 0 9 -10,-1.8 4,-2.3 -11,-0.4 -1,-0.2 0.931 114.2 49.4 -65.3 -42.1 25.8 -12.5 -9.0 127 14 B A H > S+ 0 0 47 1,-0.2 4,-2.3 -11,-0.2 -2,-0.2 0.899 111.8 49.5 -62.2 -40.3 28.4 -14.5 -7.1 128 15 B E H X S+ 0 0 60 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.896 109.8 50.7 -62.8 -43.3 25.6 -16.6 -5.5 129 16 B D H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.910 113.2 45.2 -65.6 -41.6 24.0 -17.3 -8.8 130 17 B K H X S+ 0 0 46 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.896 112.7 51.1 -68.6 -39.6 27.3 -18.5 -10.3 131 18 B A H X S+ 0 0 45 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.932 111.9 47.5 -61.9 -43.0 28.1 -20.6 -7.3 132 19 B R H X S+ 0 0 61 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.915 114.4 45.4 -66.9 -46.8 24.6 -22.2 -7.4 133 20 B d H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.887 112.4 50.4 -64.3 -43.3 24.8 -22.9 -11.2 134 21 B M H X>S+ 0 0 37 -4,-2.5 5,-2.0 1,-0.2 4,-1.0 0.899 110.8 49.2 -66.0 -36.9 28.4 -24.3 -11.0 135 22 B S H <5S+ 0 0 102 -4,-2.1 3,-0.3 -5,-0.2 -1,-0.2 0.886 110.1 52.9 -67.6 -35.7 27.5 -26.7 -8.2 136 23 B E H <5S+ 0 0 132 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.842 119.6 32.9 -67.1 -31.6 24.4 -27.9 -10.1 137 24 B H H <5S- 0 0 53 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.360 105.4-115.6-112.1 5.2 26.5 -28.7 -13.2 138 25 B G T <5 + 0 0 60 -4,-1.0 2,-0.3 -3,-0.3 -3,-0.2 0.835 58.0 166.1 66.1 33.2 29.8 -29.8 -11.8 139 26 B T < - 0 0 10 -5,-2.0 -1,-0.2 -6,-0.2 2,-0.2 -0.628 27.6-138.2 -88.9 135.9 31.5 -26.8 -13.5 140 27 B T > - 0 0 71 -2,-0.3 4,-1.9 1,-0.1 3,-0.2 -0.563 20.0-119.1 -90.7 159.5 35.0 -25.7 -12.5 141 28 B Q H > S+ 0 0 101 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.881 115.8 59.2 -58.5 -37.3 36.2 -22.1 -12.0 142 29 B A H > S+ 0 0 70 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.887 104.8 48.9 -60.8 -41.8 38.7 -22.8 -14.9 143 30 B Q H > S+ 0 0 40 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.909 112.1 47.8 -60.2 -44.0 35.8 -23.5 -17.2 144 31 B I H X S+ 0 0 4 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.909 111.1 51.8 -67.4 -39.5 34.0 -20.3 -16.2 145 32 B D H X S+ 0 0 70 -4,-2.8 4,-1.0 2,-0.2 -1,-0.2 0.862 107.2 52.9 -63.6 -38.5 37.2 -18.3 -16.6 146 33 B D H ><>S+ 0 0 74 -4,-2.0 5,-2.4 2,-0.2 3,-1.0 0.960 110.6 46.3 -63.0 -48.1 37.7 -19.7 -20.1 147 34 B V H ><5S+ 0 0 17 -4,-2.1 3,-1.8 1,-0.3 -2,-0.2 0.906 107.3 58.4 -59.8 -41.1 34.1 -18.6 -21.1 148 35 B D H 3<5S+ 0 0 47 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.726 104.6 51.8 -60.1 -26.4 34.8 -15.2 -19.5 149 36 B K T <<5S- 0 0 129 -3,-1.0 -1,-0.3 -4,-1.0 -2,-0.2 0.478 126.6-102.8 -84.1 -5.9 37.7 -14.8 -21.9 150 37 B G T < 5S+ 0 0 0 -3,-1.8 2,-0.6 -4,-0.4 -3,-0.2 0.645 77.3 138.6 90.8 19.3 35.5 -15.6 -24.8 151 38 B N < - 0 0 49 -5,-2.4 2,-0.4 -6,-0.2 -1,-0.3 -0.883 31.8-172.6 -99.6 117.4 36.7 -19.2 -25.3 152 39 B L + 0 0 19 -2,-0.6 2,-0.3 -3,-0.1 63,-0.0 -0.885 12.4 175.7-118.3 138.4 33.7 -21.5 -26.0 153 40 B V - 0 0 60 -2,-0.4 2,-2.0 2,-0.1 6,-0.1 -0.992 38.5-117.5-140.9 146.9 33.4 -25.2 -26.3 154 41 B N + 0 0 83 -2,-0.3 58,-0.1 4,-0.1 -2,-0.0 -0.413 66.4 130.6 -83.4 65.6 30.4 -27.5 -26.8 155 42 B E >> - 0 0 99 -2,-2.0 4,-2.8 1,-0.1 3,-2.3 -0.969 55.1-141.3-124.5 116.0 30.7 -29.3 -23.5 156 43 B P H 3>>S+ 0 0 80 0, 0.0 4,-2.6 0, 0.0 5,-0.5 0.778 96.8 67.4 -48.2 -35.9 27.6 -29.7 -21.2 157 44 B S H 345S+ 0 0 46 1,-0.2 4,-0.2 2,-0.2 -20,-0.1 0.854 119.9 22.1 -58.7 -29.6 29.5 -29.2 -18.0 158 45 B I H <>5S+ 0 0 4 -3,-2.3 4,-2.2 2,-0.1 -1,-0.2 0.799 122.9 53.9-103.3 -37.6 30.1 -25.6 -19.1 159 46 B T H X5S+ 0 0 1 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.884 109.0 50.4 -69.0 -32.3 27.3 -25.0 -21.6 160 47 B e H X5S+ 0 0 16 -4,-2.6 4,-2.8 -5,-0.3 -1,-0.2 0.836 108.1 54.1 -71.6 -30.7 24.7 -26.1 -19.1 161 48 B Y H >S+ 0 0 29 -4,-2.3 5,-2.7 -5,-0.2 6,-0.7 0.888 112.3 51.4 -59.1 -38.5 21.0 -17.0 -18.1 167 54 B E H ><5S+ 0 0 92 -4,-2.7 3,-2.0 1,-0.2 -2,-0.2 0.923 105.5 55.2 -67.3 -39.7 17.9 -18.7 -16.8 168 55 B A H 3<5S+ 0 0 6 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.831 108.5 49.1 -60.9 -33.8 18.6 -17.4 -13.3 169 56 B F T 3<5S- 0 0 4 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.286 115.9-115.6 -86.4 10.2 18.7 -13.9 -14.8 170 57 B S T < 5S+ 0 0 37 -3,-2.0 -3,-0.2 2,-0.2 12,-0.2 0.682 81.3 126.4 58.3 25.2 15.4 -14.4 -16.6 171 58 B L S - 0 0 62 4,-1.5 3,-2.0 -2,-0.3 -6,-0.1 -0.246 50.1 -71.4 -96.2-168.8 13.0 -19.7 -20.3 174 61 B D T 3 S+ 0 0 105 1,-0.3 36,-0.1 2,-0.1 -7,-0.0 0.524 134.5 45.0 -63.8 -10.8 12.8 -23.5 -19.6 175 62 B E T 3 S- 0 0 101 2,-0.1 -1,-0.3 35,-0.1 3,-0.1 0.097 120.3-104.6-116.6 17.9 13.4 -24.2 -23.3 176 63 B A < + 0 0 0 -3,-2.0 2,-0.4 1,-0.2 29,-0.2 0.745 66.2 155.0 63.5 27.8 16.3 -21.7 -23.7 177 64 B N - 0 0 76 27,-0.1 -4,-1.5 26,-0.0 2,-0.3 -0.733 44.2-123.4 -79.4 129.5 14.1 -19.2 -25.6 178 65 B V B -D 172 0D 26 -2,-0.4 2,-1.0 -6,-0.2 -6,-0.3 -0.608 6.7-137.3 -79.2 134.4 15.7 -15.7 -25.1 179 66 B D > - 0 0 77 -8,-2.4 4,-2.6 -2,-0.3 5,-0.2 -0.834 20.5-161.2 -87.3 103.7 13.5 -13.0 -23.6 180 67 B E H > S+ 0 0 69 -2,-1.0 4,-2.9 1,-0.2 5,-0.3 0.845 83.5 51.5 -60.7 -40.8 14.6 -10.2 -26.0 181 68 B D H > S+ 0 0 124 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.914 113.1 44.9 -67.9 -39.6 13.5 -7.3 -23.8 182 69 B I H > S+ 0 0 22 2,-0.2 4,-0.5 -12,-0.2 -2,-0.2 0.926 114.2 49.5 -68.8 -40.3 15.3 -8.6 -20.7 183 70 B M H >< S+ 0 0 33 -4,-2.6 3,-1.4 1,-0.2 4,-0.3 0.953 114.3 43.9 -64.0 -50.0 18.5 -9.4 -22.8 184 71 B L H >< S+ 0 0 19 -4,-2.9 3,-1.6 1,-0.2 -1,-0.2 0.836 104.6 67.7 -61.6 -30.3 18.5 -5.9 -24.4 185 72 B G H 3< S+ 0 0 27 -4,-1.8 -131,-0.4 -5,-0.3 -1,-0.2 0.623 87.4 67.0 -66.6 -14.8 17.7 -4.6 -20.9 186 73 B L T << S+ 0 0 15 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.647 94.3 73.4 -70.1 -21.6 21.2 -5.6 -19.7 187 74 B L S < S- 0 0 33 -3,-1.6 5,-0.1 -4,-0.3 -178,-0.0 -0.720 85.6-106.9-107.1 149.5 22.9 -3.1 -21.9 188 75 B P > - 0 0 35 0, 0.0 3,-1.4 0, 0.0 4,-0.3 -0.165 40.1-101.7 -66.2 165.9 23.3 0.6 -21.8 189 76 B D G > S+ 0 0 151 1,-0.3 3,-1.5 2,-0.2 4,-0.4 0.841 118.5 60.5 -56.8 -38.9 21.3 2.8 -24.3 190 77 B Q G 3 S+ 0 0 196 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.682 105.4 48.9 -70.2 -15.7 24.3 3.4 -26.6 191 78 B L G <> S+ 0 0 41 -3,-1.4 4,-2.6 1,-0.1 -1,-0.3 0.386 81.8 96.4 -99.8 2.9 24.6 -0.4 -27.3 192 79 B Q H <> S+ 0 0 56 -3,-1.5 4,-2.6 -4,-0.3 5,-0.2 0.896 83.6 48.8 -61.6 -44.8 20.9 -1.1 -28.1 193 80 B E H > S+ 0 0 177 -4,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.938 114.9 43.9 -64.7 -45.8 21.3 -0.8 -31.8 194 81 B R H > S+ 0 0 119 -4,-0.3 4,-2.5 1,-0.2 5,-0.2 0.942 114.2 50.8 -62.3 -46.1 24.4 -3.2 -32.0 195 82 B A H X S+ 0 0 13 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.921 109.5 50.6 -57.7 -41.7 22.7 -5.6 -29.6 196 83 B Q H X S+ 0 0 76 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.909 108.8 52.2 -65.8 -39.1 19.6 -5.6 -31.7 197 84 B S H X S+ 0 0 61 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.933 109.3 49.0 -60.5 -47.3 21.6 -6.4 -34.8 198 85 B V H >X S+ 0 0 22 -4,-2.5 4,-1.8 1,-0.2 3,-0.5 0.934 110.3 52.0 -58.0 -43.4 23.3 -9.3 -33.0 199 86 B M H 3X S+ 0 0 11 -4,-2.5 4,-2.2 1,-0.3 -2,-0.2 0.859 103.8 57.5 -64.9 -34.5 19.9 -10.6 -32.0 200 87 B G H 3< S+ 0 0 59 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.853 113.9 39.8 -58.6 -33.6 18.7 -10.4 -35.6 201 88 B K H << S+ 0 0 131 -4,-1.4 -2,-0.2 -3,-0.5 -1,-0.2 0.766 125.4 33.6 -84.7 -27.7 21.5 -12.7 -36.5 202 89 B f H < S+ 0 0 15 -4,-1.8 -2,-0.2 -5,-0.1 -3,-0.2 0.549 91.5 119.3-114.6 -14.3 21.4 -15.1 -33.5 203 90 B L < + 0 0 33 -4,-2.2 2,-0.2 -5,-0.2 -26,-0.0 -0.859 51.3 45.2-112.6 149.9 17.7 -15.4 -32.4 204 91 B P S S- 0 0 116 0, 0.0 -27,-0.1 0, 0.0 0, 0.0 0.538 90.3-126.7 -71.3 158.4 15.7 -17.5 -32.1 205 92 B T - 0 0 16 -29,-0.2 2,-0.3 -2,-0.2 8,-0.1 -0.268 29.3-174.2 -66.7 155.6 18.0 -20.0 -30.4 206 93 B S + 0 0 82 7,-0.4 2,-0.3 6,-0.1 10,-0.2 -0.984 20.8 111.2-151.3 151.0 18.4 -23.5 -31.8 207 94 B G S S- 0 0 32 -2,-0.3 6,-0.1 9,-0.1 3,-0.0 -0.891 70.0 -79.5 159.9 177.9 20.1 -26.7 -30.8 208 95 B S S S- 0 0 105 -2,-0.3 2,-0.3 1,-0.0 -1,-0.1 0.683 105.5 -5.3 -82.4 -21.2 19.6 -30.2 -29.5 209 96 B D S > S- 0 0 81 -3,-0.1 4,-2.7 -33,-0.0 5,-0.2 -0.913 87.8 -81.7-157.1 179.3 19.0 -29.3 -25.9 210 97 B N H > S+ 0 0 38 -2,-0.3 4,-1.6 1,-0.2 5,-0.1 0.864 126.9 48.9 -59.0 -38.2 19.0 -26.3 -23.6 211 98 B e H > S+ 0 0 15 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.929 112.7 45.9 -70.5 -42.7 22.8 -26.4 -23.2 212 99 B N H > S+ 0 0 24 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.873 108.3 57.6 -67.9 -35.5 23.5 -26.8 -26.9 213 100 B K H X S+ 0 0 41 -4,-2.7 4,-2.1 2,-0.2 -7,-0.4 0.923 110.4 44.0 -56.8 -43.4 21.1 -23.9 -27.7 214 101 B I H X S+ 0 0 2 -4,-1.6 4,-3.0 2,-0.2 5,-0.2 0.906 110.5 54.1 -72.5 -40.3 23.1 -21.6 -25.4 215 102 B Y H X S+ 0 0 29 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.937 110.9 46.2 -52.4 -49.3 26.4 -22.8 -26.8 216 103 B N H X S+ 0 0 59 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.907 112.8 51.1 -65.7 -37.3 25.2 -22.0 -30.3 217 104 B L H X S+ 0 0 14 -4,-2.1 4,-2.7 -5,-0.2 -2,-0.2 0.944 110.5 47.8 -62.4 -47.1 23.9 -18.6 -29.1 218 105 B A H X S+ 0 0 9 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.899 113.2 48.4 -62.5 -41.8 27.3 -17.8 -27.4 219 106 B K H X S+ 0 0 73 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.912 112.1 48.7 -66.0 -42.7 29.1 -18.7 -30.5 220 107 B f H X S+ 0 0 27 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.903 112.5 48.4 -59.9 -43.4 26.8 -16.7 -32.7 221 108 B V H X S+ 0 0 48 -4,-2.7 4,-1.4 2,-0.2 -2,-0.2 0.909 112.6 48.5 -66.0 -40.9 27.2 -13.7 -30.4 222 109 B Q H < S+ 0 0 28 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.920 114.6 44.5 -64.8 -46.7 31.0 -14.0 -30.4 223 110 B E H < S+ 0 0 119 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.831 113.1 52.0 -65.9 -32.8 31.2 -14.3 -34.2 224 111 B S H < S+ 0 0 39 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.737 126.4 21.4 -79.3 -26.1 28.7 -11.5 -34.7 225 112 B A S >< S+ 0 0 7 -4,-1.4 3,-1.5 -3,-0.2 -1,-0.3 -0.565 74.7 165.0-141.1 66.8 30.5 -9.0 -32.5 226 113 B P T 3 + 0 0 68 0, 0.0 -224,-0.1 0, 0.0 -2,-0.1 0.596 67.1 63.0 -70.4 -13.1 34.1 -10.4 -32.4 227 114 B D T 3 S+ 0 0 120 -223,-0.2 -222,-2.3 1,-0.0 2,-0.3 0.632 108.0 42.3 -82.8 -16.9 35.8 -7.2 -30.9 228 115 B V E < -a 5 0A 22 -3,-1.5 2,-0.3 -224,-0.2 -222,-0.2 -0.929 57.5-169.3-135.3 152.0 33.8 -7.4 -27.7 229 116 B W E -a 6 0A 16 -224,-1.9 -222,-2.5 -2,-0.3 2,-0.4 -0.892 11.7-158.6-146.1 111.7 32.6 -10.0 -25.2 230 117 B F E -a 7 0A 66 -2,-0.3 2,-0.4 -224,-0.2 -222,-0.2 -0.745 11.9-175.4 -95.1 135.9 30.0 -9.2 -22.5 231 118 B V E a 8 0A 16 -224,-2.3 -222,-2.7 -2,-0.4 -221,-0.4 -0.994 360.0 360.0-133.4 137.7 29.8 -11.3 -19.4 232 119 B I 0 0 20 -2,-0.4 -66,-0.0 -224,-0.2 -67,-0.0 -0.368 360.0 360.0 -60.2 360.0 27.4 -11.3 -16.5