==== 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 LYASE 11-JAN-08 2VLB . COMPND 2 MOLECULE: ARYLMALONATE DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BORDETELLA BRONCHISEPTICA; . AUTHOR E.B.KUETTNER,A.KEIM,M.KIRCHER,S.ROSMUS,N.STRATER . 918 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36297.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 641 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 133 14.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 38 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 354 38.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.9 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 4 7 1 0 0 3 0 3 3 7 4 4 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 8 3 10 3 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 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 8 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 6 A T 0 0 116 0, 0.0 2,-0.1 0, 0.0 247,-0.0 0.000 360.0 360.0 360.0 111.5 92.5 34.1 0.3 2 7 A P - 0 0 21 0, 0.0 2,-0.3 0, 0.0 60,-0.1 -0.342 360.0-122.2 -68.7 139.2 92.5 37.1 2.8 3 8 A T E -a 62 0A 37 58,-0.5 60,-3.3 23,-0.1 61,-0.9 -0.623 21.4-141.7 -76.8 134.2 91.8 36.5 6.5 4 9 A I E -ab 64 28A 3 23,-2.6 25,-2.6 -2,-0.3 2,-0.4 -0.893 14.2-156.4-103.0 123.2 88.9 38.4 7.9 5 10 A G E -ab 65 29A 0 59,-2.3 61,-2.3 -2,-0.6 2,-0.4 -0.799 7.7-167.7-100.3 138.3 89.3 39.8 11.4 6 11 A M E -ab 66 30A 0 23,-2.0 25,-2.4 -2,-0.4 2,-0.6 -0.991 15.9-148.3-128.9 134.4 86.4 40.6 13.8 7 12 A I E -ab 67 31A 0 59,-2.6 61,-2.6 -2,-0.4 25,-0.2 -0.879 26.5-175.1 -94.3 123.3 86.2 42.5 17.0 8 13 A V E - b 0 32A 7 23,-2.2 25,-2.7 -2,-0.6 26,-0.3 -0.868 30.1-122.7-118.9 150.7 83.5 41.0 19.2 9 14 A P S S+ 0 0 65 0, 0.0 25,-2.9 0, 0.0 26,-0.6 0.912 85.1 76.5 -55.6 -51.5 82.1 42.2 22.7 10 15 A P S > S- 0 0 80 0, 0.0 3,-1.6 0, 0.0 -2,-0.2 -0.394 80.9-127.4 -75.1 146.1 82.7 39.1 24.9 11 16 A A T 3 S+ 0 0 77 1,-0.3 21,-0.5 21,-0.2 -3,-0.1 0.798 103.3 74.5 -55.5 -35.3 86.3 38.4 26.2 12 17 A A T 3 S- 0 0 81 19,-0.1 -1,-0.3 1,-0.1 20,-0.1 0.786 87.4-154.8 -51.3 -31.3 86.1 34.8 24.9 13 18 A G < + 0 0 14 -3,-1.6 17,-0.3 1,-0.2 2,-0.2 0.856 24.7 169.3 62.0 40.8 86.6 36.3 21.4 14 19 A L - 0 0 131 -4,-0.1 -1,-0.2 15,-0.1 17,-0.1 -0.595 43.1-109.2 -82.6 146.0 84.9 33.6 19.3 15 20 A V - 0 0 47 -2,-0.2 15,-0.1 15,-0.1 4,-0.1 -0.632 49.6-103.1 -67.6 126.5 84.0 34.0 15.6 16 21 A P > - 0 0 33 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 -0.313 21.7-147.4 -56.1 130.6 80.2 34.3 15.7 17 22 A A H > S+ 0 0 58 1,-0.2 2,-2.0 2,-0.2 4,-1.2 0.862 86.0 78.6 -64.6 -37.7 78.6 31.0 14.5 18 23 A D H 4 S+ 0 0 7 168,-0.6 -1,-0.2 1,-0.2 193,-0.2 -0.471 110.7 14.9 -75.5 73.1 75.7 33.0 12.9 19 24 A G H >> S+ 0 0 0 -2,-2.0 3,-2.2 -4,-0.1 4,-0.6 -0.114 104.2 84.0 153.2 -42.4 77.4 34.1 9.8 20 25 A A H >< S+ 0 0 29 -4,-1.2 3,-1.7 1,-0.3 6,-0.2 0.874 87.1 62.9 -51.8 -38.9 80.4 31.9 9.6 21 26 A R T 3< S+ 0 0 75 -4,-1.2 -1,-0.3 1,-0.3 204,-0.1 0.620 92.6 64.2 -58.8 -22.2 78.1 29.3 8.0 22 27 A L T <4 S+ 0 0 0 -3,-2.2 203,-2.3 1,-0.3 -1,-0.3 0.783 114.1 30.6 -70.5 -28.6 77.6 31.7 5.1 23 28 A Y X< + 0 0 11 -3,-1.7 3,-1.6 -4,-0.6 -1,-0.3 -0.596 67.4 162.0-135.3 64.0 81.3 31.4 4.2 24 29 A P T 3 S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.735 76.7 51.7 -65.4 -21.2 82.5 28.0 5.1 25 30 A D T 3 S+ 0 0 150 2,-0.1 -2,-0.0 0, 0.0 0, 0.0 0.375 93.2 89.0 -96.2 2.8 85.6 28.2 2.9 26 31 A L S < S- 0 0 37 -3,-1.6 2,-0.5 -6,-0.2 -23,-0.1 -0.799 76.3-120.8-105.1 142.0 87.0 31.6 4.2 27 32 A P - 0 0 49 0, 0.0 -23,-2.6 0, 0.0 2,-0.4 -0.706 32.5-179.8 -85.3 123.5 89.3 32.1 7.2 28 33 A F E -b 4 0A 31 -2,-0.5 2,-0.3 -25,-0.2 -23,-0.2 -0.941 5.9-175.8-113.9 144.2 88.0 34.2 10.0 29 34 A I E -b 5 0A 50 -25,-2.6 -23,-2.0 -2,-0.4 2,-0.3 -0.947 8.5-159.5-131.3 157.2 89.7 35.2 13.3 30 35 A A E -b 6 0A 22 -2,-0.3 2,-0.4 -17,-0.3 -23,-0.2 -0.961 12.8-159.4-139.2 153.8 88.3 37.2 16.2 31 36 A S E -b 7 0A 12 -25,-2.4 -23,-2.2 -2,-0.3 2,-0.4 -0.999 21.1-139.2-132.7 130.1 89.5 39.3 19.2 32 37 A G E -b 8 0A 10 -21,-0.5 -21,-0.2 -2,-0.4 -25,-0.1 -0.774 8.0-160.5 -99.9 136.0 87.2 39.9 22.2 33 38 A L - 0 0 19 -25,-2.7 -22,-0.2 -2,-0.4 -1,-0.1 0.869 10.1-159.9 -77.3 -41.3 86.9 43.2 24.0 34 39 A G + 0 0 43 -25,-2.9 2,-0.1 -26,-0.3 -2,-0.0 0.750 32.0 162.9 61.2 25.5 85.4 42.1 27.4 35 40 A L - 0 0 58 -26,-0.6 -1,-0.2 1,-0.1 4,-0.1 -0.453 34.0-124.4 -77.0 150.7 84.2 45.7 28.0 36 41 A G - 0 0 52 2,-0.1 3,-0.1 -2,-0.1 -1,-0.1 -0.290 31.3 -98.4 -75.8 171.7 81.6 46.5 30.6 37 42 A S S S+ 0 0 135 1,-0.2 2,-0.4 -2,-0.1 -1,-0.1 0.958 117.7 19.9 -53.1 -55.3 78.3 48.4 29.9 38 43 A V S S- 0 0 125 3,-0.0 -1,-0.2 -3,-0.0 -2,-0.1 -0.951 78.3-146.7-113.3 142.1 80.1 51.5 31.3 39 44 A T > - 0 0 25 -2,-0.4 3,-1.9 1,-0.1 7,-0.1 -0.915 1.6-159.1-108.0 107.2 83.9 51.7 31.5 40 45 A P T 3 S+ 0 0 120 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.774 86.8 72.5 -56.6 -25.6 85.0 53.8 34.5 41 46 A E T 3 S- 0 0 149 1,-0.2 4,-0.2 -3,-0.1 3,-0.2 0.743 106.7-120.9 -65.4 -24.4 88.3 54.5 32.8 42 47 A G <> - 0 0 29 -3,-1.9 4,-1.4 1,-0.2 -1,-0.2 -0.477 31.8 -52.6 116.6-178.3 86.5 56.9 30.4 43 48 A Y H > S+ 0 0 64 1,-0.2 4,-1.9 2,-0.2 3,-0.3 0.901 128.4 53.4 -64.0 -41.8 85.9 57.5 26.8 44 49 A D H > S+ 0 0 81 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.925 105.5 55.3 -61.2 -43.8 89.5 57.3 25.7 45 50 A A H > S+ 0 0 32 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.848 106.9 50.0 -56.2 -38.3 89.9 53.9 27.4 46 51 A V H X S+ 0 0 14 -4,-1.4 4,-2.0 -3,-0.3 -1,-0.2 0.944 113.2 45.2 -66.1 -48.0 87.0 52.5 25.4 47 52 A I H X S+ 0 0 3 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.909 112.1 53.4 -60.6 -41.9 88.5 53.8 22.0 48 53 A E H X S+ 0 0 40 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.887 107.4 50.9 -63.0 -40.7 91.9 52.5 23.0 49 54 A S H X S+ 0 0 22 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.905 111.3 47.0 -63.3 -44.1 90.6 49.1 23.7 50 55 A V H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.957 115.8 46.0 -61.0 -46.0 88.9 48.9 20.3 51 56 A V H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.884 110.8 52.3 -66.3 -39.7 92.0 50.2 18.6 52 57 A D H X S+ 0 0 64 -4,-2.8 4,-2.0 -5,-0.2 -1,-0.2 0.912 110.3 48.4 -63.5 -41.5 94.3 47.8 20.5 53 58 A H H X S+ 0 0 21 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.875 108.6 53.7 -71.0 -34.4 92.2 44.8 19.5 54 59 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.919 109.5 49.3 -60.2 -43.3 92.2 46.0 15.8 55 60 A R H X S+ 0 0 66 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.876 107.0 55.0 -61.3 -40.4 96.1 46.0 16.0 56 61 A R H X S+ 0 0 107 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.939 109.4 47.2 -60.1 -45.7 96.1 42.5 17.5 57 62 A L H X>S+ 0 0 0 -4,-2.1 5,-2.4 2,-0.2 4,-0.5 0.916 110.6 51.4 -61.8 -45.8 94.1 41.3 14.5 58 63 A Q H ><5S+ 0 0 33 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.953 110.6 49.4 -54.4 -49.6 96.4 43.1 12.1 59 64 A K H 3<5S+ 0 0 161 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.775 106.8 56.1 -63.5 -25.9 99.4 41.4 13.8 60 65 A Q H 3<5S- 0 0 117 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.473 129.2 -94.1 -87.5 -2.5 97.7 38.0 13.6 61 66 A G T <<5 + 0 0 45 -3,-1.8 -58,-0.5 -4,-0.5 -3,-0.2 0.553 66.4 158.7 106.6 9.8 97.3 38.4 9.8 62 67 A A E < -a 3 0A 5 -5,-2.4 -1,-0.3 1,-0.1 -58,-0.2 -0.375 28.0-160.8 -58.6 138.8 93.8 39.9 9.3 63 68 A A E S+ 0 0 33 -60,-3.3 2,-0.3 1,-0.3 -59,-0.2 0.689 78.7 12.9 -95.8 -23.2 93.5 41.6 5.9 64 69 A V E S-a 4 0A 2 -61,-0.9 -59,-2.3 30,-0.2 2,-0.4 -0.955 70.6-143.4-141.0 162.8 90.4 43.6 7.1 65 70 A V E -ac 5 96A 0 30,-1.9 32,-2.2 -2,-0.3 2,-0.5 -0.997 10.1-169.7-130.1 130.5 88.8 44.3 10.5 66 71 A S E -ac 6 97A 0 -61,-2.3 -59,-2.6 -2,-0.4 2,-1.0 -0.982 22.1-136.0-117.3 128.3 85.1 44.6 11.3 67 72 A L E -ac 7 98A 0 30,-2.4 32,-2.3 -2,-0.5 2,-0.8 -0.729 23.5-172.2 -76.7 101.7 83.8 45.8 14.6 68 73 A M + 0 0 8 -61,-2.6 2,-0.4 -2,-1.0 -1,-0.1 -0.442 41.0 114.2 -98.8 56.0 81.1 43.3 15.2 69 74 A G > - 0 0 3 -2,-0.8 4,-1.9 -61,-0.2 31,-0.2 -0.992 54.5-150.9-128.3 130.4 79.4 44.8 18.3 70 75 A T H > S+ 0 0 24 -2,-0.4 4,-2.0 2,-0.2 5,-0.4 0.943 93.5 44.9 -64.6 -49.4 75.9 46.2 18.4 71 76 A S H > S+ 0 0 58 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.930 115.4 45.5 -65.5 -46.3 76.3 48.8 21.1 72 77 A L H 4 S+ 0 0 22 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.893 116.8 46.2 -63.3 -38.0 79.6 50.3 19.8 73 78 A S H < S+ 0 0 1 -4,-1.9 -1,-0.2 1,-0.1 -2,-0.2 0.808 130.9 13.3 -73.7 -34.5 78.4 50.4 16.2 74 79 A F H >< S+ 0 0 2 -4,-2.0 3,-1.7 -5,-0.2 -3,-0.2 0.728 101.9 79.1-112.1 -33.3 75.0 51.9 16.8 75 80 A Y T 3< S+ 0 0 78 -4,-2.3 -3,-0.1 -5,-0.4 -4,-0.1 0.661 100.2 40.7 -72.9 -16.0 74.4 53.4 20.2 76 81 A R T 3 S- 0 0 110 -5,-0.3 4,-0.4 1,-0.3 -1,-0.3 0.325 113.8-111.3-108.8 7.5 76.2 56.7 19.7 77 82 A G <> - 0 0 11 -3,-1.7 4,-1.6 1,-0.2 -1,-0.3 -0.176 40.8 -59.4 87.1 179.0 75.0 57.4 16.2 78 83 A A H > S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.829 124.5 57.3 -73.6 -37.5 76.6 57.5 12.8 79 84 A A H > S+ 0 0 12 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.908 108.7 47.9 -61.9 -43.3 79.3 60.2 13.3 80 85 A F H > S+ 0 0 6 -4,-0.4 4,-2.7 2,-0.2 5,-0.2 0.920 110.7 52.1 -61.1 -44.4 80.8 58.3 16.2 81 86 A N H X S+ 0 0 6 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.915 110.8 47.9 -58.8 -43.2 80.8 55.1 14.1 82 87 A A H X S+ 0 0 7 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.903 112.1 48.7 -63.9 -43.5 82.6 56.9 11.3 83 88 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.908 112.2 48.2 -63.9 -42.4 85.2 58.4 13.7 84 89 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.870 109.5 54.4 -66.2 -35.2 85.8 55.0 15.4 85 90 A T H X S+ 0 0 22 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.929 110.1 45.5 -61.7 -48.5 86.2 53.5 11.9 86 91 A V H X S+ 0 0 5 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.879 110.3 54.2 -64.1 -40.1 88.9 56.0 10.9 87 92 A A H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.930 111.1 46.4 -58.9 -45.8 90.6 55.5 14.2 88 93 A M H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 6,-0.3 0.931 114.2 47.1 -58.5 -51.0 90.8 51.7 13.5 89 94 A R H X S+ 0 0 37 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.881 113.8 47.3 -60.3 -43.8 92.0 52.2 9.9 90 95 A E H < S+ 0 0 21 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.814 113.0 50.3 -69.6 -30.0 94.7 54.8 11.0 91 96 A A H < S+ 0 0 5 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.867 124.4 25.7 -72.1 -36.2 95.8 52.4 13.8 92 97 A T H < S- 0 0 2 -4,-2.0 -2,-0.2 2,-0.2 -3,-0.2 0.721 87.1-129.8-104.2 -27.2 96.1 49.3 11.6 93 98 A G S < S+ 0 0 2 -4,-2.5 196,-0.1 1,-0.3 -3,-0.1 0.639 74.6 116.2 74.3 13.6 96.8 50.3 7.9 94 99 A L S S- 0 0 7 -5,-0.3 -1,-0.3 -6,-0.3 2,-0.3 -0.813 79.9 -96.4-111.5 154.7 93.9 48.0 7.1 95 100 A P - 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0 0 12 -3,-2.0 4,-1.7 1,-0.2 -1,-0.3 -0.207 35.7 -62.2 102.3 177.1 79.8 65.0 22.3 767 83 D A H > S+ 0 0 2 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.812 124.4 54.4 -75.6 -33.8 82.7 63.5 24.3 768 84 D A H > S+ 0 0 9 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.923 109.6 48.6 -66.5 -45.5 82.9 60.0 22.8 769 85 D F H > S+ 0 0 6 -4,-0.4 4,-3.0 1,-0.2 5,-0.3 0.925 110.5 52.4 -55.9 -46.9 83.2 61.5 19.2 770 86 D N H X S+ 0 0 6 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.893 109.7 48.6 -54.9 -44.1 85.9 63.8 20.5 771 87 D A H X S+ 0 0 10 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.895 112.9 47.2 -65.3 -40.5 87.9 60.9 22.0 772 88 D A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.918 112.4 48.9 -68.7 -44.1 87.6 58.8 18.8 773 89 D L H X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.891 108.6 54.8 -63.9 -38.5 88.7 61.8 16.6 774 90 D T H X S+ 0 0 20 -4,-2.1 4,-2.3 -5,-0.3 -1,-0.2 0.934 109.0 46.9 -58.5 -45.6 91.6 62.4 18.9 775 91 D V H X S+ 0 0 0 -4,-1.9 4,-2.9 1,-0.2 5,-0.3 0.915 108.2 56.3 -64.4 -40.5 92.8 58.8 18.5 776 92 D A H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.905 110.1 45.3 -56.8 -43.3 92.4 59.0 14.7 777 93 D M H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 6,-0.4 0.899 112.9 50.0 -66.9 -43.2 94.7 62.1 14.7 778 94 D R H X S+ 0 0 67 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.903 112.6 46.9 -63.3 -41.3 97.3 60.5 17.0 779 95 D E H < S+ 0 0 15 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.844 113.1 49.1 -68.3 -33.8 97.4 57.3 14.9 780 96 D A H < S+ 0 0 22 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.849 124.7 27.5 -74.5 -33.9 97.7 59.2 11.6 781 97 D T H < S- 0 0 15 -4,-2.0 -2,-0.2 2,-0.2 -3,-0.2 0.741 89.0-132.6-101.6 -28.0 100.5 61.4 12.8 782 98 D G S < S+ 0 0 63 -4,-2.7 -3,-0.1 1,-0.3 -4,-0.1 0.667 72.9 114.7 75.6 16.2 102.4 59.5 15.5 783 99 D L S S- 0 0 27 -6,-0.4 -1,-0.3 -5,-0.3 -2,-0.2 -0.852 80.7 -95.1-114.6 151.4 102.2 62.7 17.6 784 100 D P - 0 0 61 0, 0.0 -30,-1.8 0, 0.0 2,-0.3 -0.499 51.5-168.0 -60.2 134.7 100.4 63.5 20.8 785 101 D C E +u 754 0G 14 -32,-0.2 2,-0.3 -2,-0.2 -30,-0.2 -0.907 15.3 163.6-129.2 151.5 97.1 65.1 19.8 786 102 D T E -u 755 0G 6 -32,-2.3 -30,-2.4 -2,-0.3 2,-0.3 -0.893 20.8-133.6-152.1-179.2 94.4 67.0 21.7 787 103 D T E > -u 756 0G 0 -2,-0.3 4,-2.4 -32,-0.3 -30,-0.2 -0.944 30.4-106.0-139.2 168.6 91.4 69.2 21.1 788 104 D M H > S+ 0 0 4 -32,-2.2 4,-2.1 -2,-0.3 5,-0.1 0.845 119.5 53.1 -63.7 -36.0 89.9 72.5 22.5 789 105 D S H > S+ 0 0 0 -33,-0.2 4,-2.3 -31,-0.2 -1,-0.2 0.908 109.2 48.7 -66.7 -38.9 87.1 70.6 24.3 790 106 D T H > S+ 0 0 36 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.914 110.8 52.8 -61.0 -44.1 89.8 68.3 26.1 791 107 D A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.901 108.6 49.2 -53.5 -48.6 91.6 71.6 26.9 792 108 D V H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.927 110.9 48.8 -61.8 -49.0 88.5 73.1 28.5 793 109 D L H X S+ 0 0 10 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.919 112.2 49.8 -52.0 -49.3 87.8 69.9 30.6 794 110 D N H X S+ 0 0 47 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.904 113.0 46.4 -61.2 -41.6 91.4 69.9 31.8 795 111 D G H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.923 113.0 47.6 -65.9 -46.9 91.2 73.7 32.7 796 112 D L H <>S+ 0 0 0 -4,-2.8 5,-2.7 1,-0.2 4,-0.2 0.929 114.4 47.9 -62.8 -40.0 87.9 73.4 34.5 797 113 D R H ><5S+ 0 0 151 -4,-2.5 3,-1.7 -5,-0.2 -2,-0.2 0.929 108.1 53.9 -63.7 -49.1 89.2 70.3 36.4 798 114 D A H 3<5S+ 0 0 52 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.785 113.0 45.5 -56.7 -28.4 92.5 72.0 37.4 799 115 D L T 3<5S- 0 0 5 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.337 113.5-112.3-100.1 4.3 90.5 74.9 38.9 800 116 D G T < 5 + 0 0 31 -3,-1.7 2,-0.7 -4,-0.2 -3,-0.2 0.841 58.6 157.1 70.6 31.5 87.9 73.0 40.8 801 117 D V < + 0 0 2 -5,-2.7 -1,-0.2 1,-0.2 3,-0.1 -0.818 7.4 149.5 -91.9 117.7 85.0 74.0 38.7 802 118 D R + 0 0 160 -2,-0.7 26,-3.2 1,-0.3 2,-0.6 0.694 69.8 48.2-108.5 -33.6 82.1 71.5 39.0 803 119 D R E S-v 828 0H 92 24,-0.2 63,-3.4 26,-0.1 64,-1.0 -0.938 81.0-170.2-111.0 113.5 79.1 73.8 38.5 804 120 D V E -vw 829 867H 0 24,-2.4 26,-3.0 -2,-0.6 27,-0.6 -0.891 18.0-155.3-122.0 127.5 79.8 75.9 35.4 805 121 D A E -vw 831 868H 0 62,-2.2 64,-2.6 -2,-0.4 2,-0.4 -0.806 23.1-137.2 -96.7 140.0 78.0 78.9 34.0 806 122 D L E -vw 832 869H 0 25,-3.0 27,-2.1 -2,-0.4 2,-0.4 -0.860 21.3-177.7-107.0 134.4 78.5 79.5 30.2 807 123 D A E +vw 833 870H 0 62,-2.9 64,-2.5 -2,-0.4 2,-0.2 -0.981 28.2 157.1-126.0 115.8 79.1 82.8 28.5 808 124 D T E -vw 834 871H 0 25,-2.1 27,-1.1 -2,-0.4 64,-0.2 -0.813 54.2-127.0-140.0 172.7 79.4 82.4 24.7 809 125 D A S S+ 0 0 31 62,-1.5 2,-0.3 -2,-0.2 63,-0.1 0.109 80.1 96.8-100.5 16.7 79.1 83.9 21.2 810 126 D Y S S- 0 0 40 61,-0.2 -2,-0.2 1,-0.1 61,-0.0 -0.718 76.2-103.9-120.1 156.6 76.8 81.2 20.0 811 127 D I >> - 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