==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL CYCLE 05-DEC-12 4I98 . COMPND 2 MOLECULE: SEGREGATION AND CONDENSATION PROTEIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR H.SHIN,B.OH . 480 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25397.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 338 70.4 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 . 34 7.1 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 0.4 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 . 19 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 208 43.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.2 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 4 4 2 0 2 1 2 1 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 1 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 . 2 3 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 4 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 6 A K 0 0 115 0, 0.0 2,-0.7 0, 0.0 46,-0.0 0.000 360.0 360.0 360.0 15.3 77.6 75.1 40.8 2 7 A D + 0 0 101 2,-0.1 2,-0.4 0, 0.0 0, 0.0 -0.676 360.0 144.3-108.4 76.7 74.1 73.7 40.3 3 8 A F - 0 0 76 -2,-0.7 2,-2.5 0, 0.0 6,-0.1 -0.889 58.7-112.7-113.4 144.7 74.5 70.0 41.0 4 9 A E S S- 0 0 61 -2,-0.4 4,-0.3 4,-0.1 427,-0.1 -0.342 78.8 -53.9 -75.5 64.4 71.8 67.8 42.7 5 10 A G S > S- 0 0 6 -2,-2.5 4,-1.0 1,-0.1 426,-0.1 -0.267 73.7 -64.2 95.8 175.7 73.7 67.2 46.0 6 11 A P H >> S+ 0 0 2 0, 0.0 4,-2.0 0, 0.0 3,-1.3 0.970 128.8 54.9 -66.9 -54.8 77.1 65.8 46.9 7 12 A L H 3> S+ 0 0 0 1,-0.3 4,-1.8 2,-0.2 -2,-0.1 0.817 105.5 56.6 -47.4 -34.8 76.6 62.3 45.5 8 13 A D H 34 S+ 0 0 15 -4,-0.3 4,-0.5 421,-0.2 -1,-0.3 0.865 105.8 49.3 -66.3 -38.0 75.7 63.9 42.2 9 14 A L H XX S+ 0 0 18 -3,-1.3 4,-1.9 -4,-1.0 3,-0.9 0.884 106.9 54.5 -68.7 -41.8 79.1 65.8 42.1 10 15 A L H 3X>S+ 0 0 3 -4,-2.0 4,-4.0 1,-0.3 5,-0.5 0.934 102.2 57.8 -57.2 -47.2 81.1 62.6 42.9 11 16 A L H 3<5S+ 0 0 26 -4,-1.8 4,-0.4 1,-0.2 -1,-0.3 0.732 106.7 51.5 -56.3 -22.9 79.4 60.9 39.9 12 17 A H H <>5S+ 0 0 87 -3,-0.9 4,-1.5 -4,-0.5 -1,-0.2 0.912 117.2 35.9 -79.4 -46.6 80.8 63.8 37.8 13 18 A L H X5S+ 0 0 23 -4,-1.9 4,-0.7 2,-0.2 -2,-0.2 0.956 117.5 50.3 -70.7 -53.4 84.4 63.3 39.1 14 19 A V H <5S+ 0 0 32 -4,-4.0 3,-0.3 1,-0.2 -1,-0.2 0.813 105.4 64.1 -54.6 -30.1 84.3 59.6 39.3 15 20 A S H >4 + 0 0 18 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.271 45.2 101.4-105.1 12.2 91.0 55.9 41.6 26 31 A I H > + 0 0 24 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.978 68.9 54.7 -56.1 -74.4 89.6 57.0 45.0 27 32 A T H > S+ 0 0 82 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.771 116.0 46.5 -33.2 -36.3 92.6 58.6 46.9 28 33 A E H >> S+ 0 0 126 2,-0.2 3,-1.3 -3,-0.1 4,-1.3 0.988 109.4 48.4 -73.0 -66.2 92.7 60.8 43.8 29 34 A V H 3X S+ 0 0 7 -4,-2.4 4,-1.7 1,-0.3 -2,-0.2 0.848 103.7 63.4 -42.4 -47.4 89.1 61.8 43.3 30 35 A I H 3X S+ 0 0 7 -4,-2.4 4,-1.6 1,-0.2 -1,-0.3 0.887 101.2 51.2 -47.5 -47.4 88.8 62.7 47.0 31 36 A E H X S+ 0 0 2 -4,-1.7 4,-1.8 -3,-0.3 3,-0.7 0.985 107.6 44.6 -59.3 -63.9 86.5 67.3 45.7 34 39 A L H 3X S+ 0 0 32 -4,-1.6 4,-3.1 1,-0.3 5,-0.4 0.840 106.3 66.9 -50.6 -33.9 88.1 69.3 48.5 35 40 A A H 3X S+ 0 0 46 -4,-2.3 4,-2.6 1,-0.3 5,-0.4 0.951 106.7 36.8 -51.0 -56.4 89.7 71.3 45.7 36 41 A Y H < S+ 0 0 96 -4,-2.6 3,-0.7 -5,-0.4 4,-0.4 0.909 116.2 44.2 -65.3 -42.6 89.0 77.1 46.2 40 45 A L T 3X S+ 0 0 43 -4,-0.7 4,-1.1 -5,-0.4 3,-0.3 0.708 112.9 52.3 -74.7 -21.5 85.3 77.9 45.5 41 46 A Q T 34 S+ 0 0 76 -4,-0.2 -1,-0.2 1,-0.2 4,-0.2 0.457 87.2 84.1 -91.7 -3.5 84.7 78.8 49.1 42 47 A A T <4 S+ 0 0 80 -3,-0.7 -1,-0.2 -4,-0.4 -2,-0.2 0.852 117.4 3.7 -65.0 -34.6 87.6 81.2 49.0 43 48 A X T 4 S+ 0 0 167 -4,-0.4 2,-0.7 -3,-0.3 -2,-0.2 0.735 138.6 37.8-114.9 -56.9 85.3 83.8 47.6 44 49 A R < + 0 0 168 -4,-1.1 2,-0.5 1,-0.1 -1,-0.2 -0.841 56.3 157.2-110.1 98.3 81.8 82.4 47.4 45 50 A L + 0 0 98 -2,-0.7 -4,-0.1 -4,-0.2 -1,-0.1 -0.666 41.0 103.7-115.8 70.0 80.9 80.3 50.4 46 51 A E S S+ 0 0 123 -2,-0.5 3,-0.3 2,-0.1 -1,-0.1 0.727 73.2 44.9-119.7 -39.8 77.1 80.5 50.3 47 52 A V S S+ 0 0 105 -3,-0.2 4,-0.3 1,-0.2 3,-0.2 0.052 76.2 111.9 -98.3 26.5 75.5 77.3 48.9 48 53 A T > + 0 0 47 1,-0.2 3,-1.2 2,-0.1 4,-0.5 0.983 36.4 127.4 -59.6 -60.2 77.7 74.9 50.9 49 54 A G T 3> S+ 0 0 60 -3,-0.3 4,-0.6 1,-0.3 3,-0.2 -0.128 82.7 6.6 43.6-105.8 74.9 73.6 53.1 50 55 A E H >> S+ 0 0 86 -3,-0.2 3,-0.9 1,-0.2 4,-0.8 0.922 118.7 69.6 -73.0 -47.5 75.0 69.8 52.8 51 56 A Y H X> S+ 0 0 54 -3,-1.2 4,-2.0 -4,-0.3 3,-1.5 0.823 92.1 66.1 -39.7 -39.1 78.2 69.3 50.8 52 57 A X H >> S+ 0 0 120 -4,-0.5 4,-1.4 1,-0.3 3,-0.6 0.953 94.5 53.6 -48.2 -61.3 80.0 70.5 54.0 53 58 A V H X S+ 0 0 63 -4,-3.4 3,-3.3 -5,-0.3 4,-0.7 0.994 114.8 44.3 -59.5 -76.0 93.2 60.3 57.3 64 69 A R H 3< S+ 0 0 115 -4,-3.0 -1,-0.2 1,-0.3 -3,-0.2 0.590 106.1 64.6 -50.1 -13.1 92.3 56.8 58.5 65 70 A K H 3< S+ 0 0 95 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.741 92.9 63.5 -82.9 -21.7 93.7 55.4 55.2 66 71 A L H << S+ 0 0 134 -3,-3.3 -2,-0.2 -4,-0.6 -1,-0.1 0.953 84.5 84.5 -63.7 -53.6 97.2 56.6 56.2 67 72 A L S < S- 0 0 94 -4,-0.7 3,-0.1 1,-0.1 8,-0.0 -0.206 85.9-115.5 -52.7 139.1 97.5 54.3 59.2 68 73 A P - 0 0 114 0, 0.0 2,-1.1 0, 0.0 -1,-0.1 -0.025 48.5 -59.6 -70.5 177.6 98.7 50.8 58.4 69 74 A K 0 0 204 1,-0.1 4,-0.0 4,-0.0 -2,-0.0 -0.463 360.0 360.0 -65.4 94.1 96.8 47.5 58.7 70 75 A V 0 0 181 -2,-1.1 -1,-0.1 -3,-0.1 3,-0.0 0.401 360.0 360.0 -66.9 360.0 96.0 47.2 62.5 71 ! 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 72 79 A T 0 0 150 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 80.7 86.9 44.2 59.9 73 80 A D > - 0 0 76 1,-0.1 4,-1.6 -3,-0.0 5,-0.1 -0.735 360.0-165.6 -90.1 134.1 89.0 47.2 59.0 74 81 A L H > S+ 0 0 90 -2,-0.4 4,-1.9 2,-0.2 -1,-0.1 0.739 82.5 70.8 -90.3 -26.7 87.4 50.7 59.2 75 82 A G H 4 S+ 0 0 4 -11,-0.2 -1,-0.2 1,-0.2 -10,-0.1 0.838 113.8 32.9 -58.0 -28.6 90.0 52.6 57.1 76 83 A D H >> S+ 0 0 80 3,-0.1 4,-2.0 1,-0.1 3,-0.7 0.918 111.8 55.2 -91.7 -59.4 88.5 50.7 54.2 77 84 A D H 3X S+ 0 0 61 -4,-1.6 4,-1.9 1,-0.3 2,-1.5 0.868 101.8 63.3 -44.5 -39.8 84.8 50.1 55.0 78 85 A L H 3< S+ 0 0 49 -4,-1.9 -1,-0.3 1,-0.2 -4,-0.1 -0.175 113.1 36.3 -80.9 44.4 84.6 53.9 55.3 79 86 A E H <> S+ 0 0 14 -2,-1.5 4,-1.2 -3,-0.7 3,-0.5 0.191 109.1 55.0-154.1 -57.4 85.6 54.0 51.7 80 87 A Q H X S+ 0 0 118 -4,-2.0 4,-2.4 1,-0.3 3,-0.2 0.847 108.6 55.7 -56.1 -33.2 83.9 51.1 50.0 81 88 A D H X S+ 0 0 81 -4,-1.9 4,-2.3 -5,-0.3 -1,-0.3 0.867 101.5 54.3 -67.4 -38.8 80.7 52.5 51.4 82 89 A L H > S+ 0 0 6 -3,-0.5 4,-1.2 -5,-0.2 -1,-0.2 0.713 109.6 51.3 -66.8 -22.3 81.3 55.9 49.7 83 90 A L H >X S+ 0 0 39 -4,-1.2 4,-2.9 -3,-0.2 3,-0.5 0.956 107.0 49.2 -77.6 -56.3 81.6 53.9 46.5 84 91 A S H 3X S+ 0 0 72 -4,-2.4 4,-2.7 1,-0.3 5,-0.3 0.864 109.7 55.3 -49.5 -40.2 78.3 52.1 47.0 85 92 A Q H 3X S+ 0 0 45 -4,-2.3 4,-1.3 1,-0.2 -1,-0.3 0.908 110.6 43.1 -60.3 -45.3 76.7 55.4 47.7 86 93 A I H X S+ 0 0 84 -4,-2.9 4,-2.2 2,-0.2 3,-0.8 0.999 111.8 45.3 -61.6 -66.3 77.0 53.8 42.5 88 95 A E H 3X S+ 0 0 55 -4,-2.7 4,-1.1 1,-0.3 -1,-0.2 0.777 112.1 55.0 -49.3 -29.4 73.5 53.5 43.8 89 96 A Y H 3X S+ 0 0 5 -4,-1.3 4,-2.4 -5,-0.3 3,-0.3 0.926 106.9 48.9 -70.5 -44.0 73.0 57.2 43.2 90 97 A R H X S+ 0 0 65 -4,-2.8 4,-2.2 2,-0.2 3,-0.6 0.902 113.5 51.6 -84.8 -50.8 69.8 57.1 35.4 95 102 A L H 3< S+ 0 0 7 -4,-2.3 4,-0.3 -5,-0.3 -2,-0.2 0.828 107.5 61.2 -57.2 -25.0 66.5 55.3 36.3 96 103 A G H >X S+ 0 0 2 -4,-1.9 4,-1.9 1,-0.2 3,-1.0 0.906 102.4 46.8 -66.5 -42.8 65.4 58.9 36.9 97 104 A E H S+ 0 0 1 -3,-1.0 4,-3.1 -4,-0.3 5,-0.3 0.821 106.3 52.9 -97.9 -47.8 61.1 57.9 33.8 100 107 A E H X S+ 0 0 53 -4,-1.9 4,-0.8 1,-0.2 -2,-0.2 0.675 115.7 46.8 -61.5 -11.9 61.2 61.5 32.5 101 108 A A H X S+ 0 0 52 -4,-1.0 4,-1.3 -5,-0.2 -1,-0.2 0.874 111.4 45.7 -93.4 -48.8 61.4 59.7 29.2 102 109 A K H X S+ 0 0 64 -4,-0.9 4,-1.1 1,-0.2 -2,-0.2 0.793 112.0 56.1 -64.9 -25.5 58.6 57.2 29.7 103 110 A H H >X S+ 0 0 1 -4,-3.1 4,-2.1 2,-0.2 3,-0.8 0.971 97.0 61.7 -68.3 -53.3 56.5 60.1 31.0 104 111 A Q H 3X S+ 0 0 77 -4,-0.8 4,-0.8 1,-0.3 -2,-0.2 0.842 100.5 53.8 -39.0 -49.8 57.0 62.2 27.9 105 112 A E H >< S+ 0 0 124 -4,-1.3 3,-1.3 1,-0.2 4,-0.3 0.939 110.2 47.2 -52.9 -49.9 55.2 59.5 25.8 106 113 A R H X< S+ 0 0 13 -4,-1.1 3,-1.4 -3,-0.8 -1,-0.2 0.847 106.0 59.5 -59.6 -37.9 52.2 59.6 28.2 107 114 A A H 3< S+ 0 0 3 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.591 87.1 74.9 -69.7 -13.2 52.2 63.4 28.1 108 115 A Q T << S+ 0 0 58 -3,-1.3 2,-0.4 -4,-0.8 -1,-0.3 0.684 87.8 74.8 -72.7 -16.5 51.6 63.4 24.4 109 116 A Y < - 0 0 55 -3,-1.4 2,-0.3 -4,-0.3 275,-0.1 -0.830 65.1-172.0-101.6 135.2 48.1 62.4 25.1 110 117 A Y + 0 0 11 -2,-0.4 273,-1.3 273,-0.2 2,-0.3 -0.861 4.7 178.8-121.4 156.6 45.5 64.9 26.4 111 118 A S - 0 0 20 -2,-0.3 2,-0.2 271,-0.2 271,-0.1 -0.876 26.9 -92.9-147.1 179.7 42.0 64.4 27.7 112 119 A K - 0 0 3 269,-0.4 220,-2.8 -2,-0.3 221,-0.3 -0.653 39.5-100.0-102.3 155.2 39.0 66.3 29.2 113 120 A A - 0 0 50 48,-0.3 218,-0.1 -2,-0.2 2,-0.1 -0.492 58.7 -90.0 -67.1 139.6 37.9 66.9 32.8 114 121 A P - 0 0 27 0, 0.0 2,-0.2 0, 0.0 216,-0.2 -0.335 45.1-110.9 -58.1 125.0 35.2 64.4 33.7 115 122 A T - 0 0 35 214,-1.8 2,-1.5 213,-0.3 48,-0.0 -0.405 27.0-130.5 -59.0 118.1 31.8 65.8 32.8 116 123 A E - 0 0 19 -2,-0.2 -1,-0.1 -3,-0.1 154,-0.0 -0.576 27.7-155.1 -76.5 89.1 30.1 66.5 36.2 117 124 A L - 0 0 21 -2,-1.5 2,-0.4 106,-0.1 -1,-0.0 -0.311 5.1-156.7 -67.4 147.0 26.7 64.8 35.6 118 125 A I + 0 0 64 -2,-0.0 2,-0.4 156,-0.0 106,-0.0 -0.962 12.9 177.8-132.0 116.8 23.7 66.0 37.6 119 126 A Y - 0 0 56 -2,-0.4 3,-0.1 1,-0.1 -2,-0.0 -0.969 28.4-137.2-127.2 133.1 20.6 63.9 38.2 120 127 A E S S+ 0 0 179 -2,-0.4 -1,-0.1 1,-0.2 0, 0.0 0.895 103.1 43.1 -42.8 -67.4 17.3 64.6 40.2 121 128 A D S S+ 0 0 71 2,-0.1 -1,-0.2 0, 0.0 -2,-0.0 0.869 88.3 109.5 -52.9 -41.2 16.9 61.3 42.1 122 129 A A - 0 0 14 -3,-0.1 2,-0.3 1,-0.1 106,-0.1 -0.092 58.2-157.5 -42.0 124.5 20.6 61.2 42.9 123 130 A E - 0 0 145 1,-0.0 2,-0.1 152,-0.0 -1,-0.1 -0.857 18.3 -99.6-113.8 149.2 21.0 61.7 46.6 124 131 A L - 0 0 22 -2,-0.3 2,-0.6 1,-0.0 110,-0.1 -0.382 22.7-148.9 -72.1 136.0 24.0 63.0 48.6 125 132 A V - 0 0 58 108,-0.9 2,-0.8 -2,-0.1 110,-0.4 -0.923 8.3-147.4-105.8 120.4 26.4 60.6 50.4 126 133 A H + 0 0 108 -2,-0.6 108,-0.1 1,-0.2 -1,-0.1 -0.062 57.8 127.8 -79.2 35.4 27.9 62.3 53.5 127 134 A D + 0 0 69 -2,-0.8 2,-0.4 2,-0.0 -1,-0.2 0.376 54.3 83.3 -74.2 6.1 31.1 60.3 53.1 128 135 A K - 0 0 53 -3,-0.2 2,-0.3 174,-0.2 107,-0.0 -0.878 59.3-173.9-115.0 147.3 33.1 63.5 53.3 129 136 A T >> - 0 0 64 -2,-0.4 4,-1.9 1,-0.0 3,-0.7 -0.849 44.8 -87.4-135.4 170.5 34.2 65.4 56.4 130 137 A T H 3> S+ 0 0 29 173,-0.7 4,-0.8 1,-0.3 5,-0.1 0.744 126.1 55.9 -46.3 -28.8 35.9 68.6 57.7 131 138 A I H 3> S+ 0 0 106 2,-0.2 4,-2.3 3,-0.1 5,-0.3 0.952 108.1 46.9 -70.3 -49.2 39.2 66.8 57.2 132 139 A D H <> S+ 0 0 42 -3,-0.7 4,-2.9 1,-0.2 -2,-0.2 0.967 109.7 50.8 -53.6 -63.2 38.5 66.1 53.5 133 140 A L H X S+ 0 0 2 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.769 112.5 53.5 -48.0 -28.4 37.4 69.7 52.7 134 141 A F H X S+ 0 0 58 -4,-0.8 4,-2.7 -5,-0.4 -2,-0.2 0.992 108.8 40.3 -73.0 -67.7 40.6 70.7 54.4 135 142 A L H X S+ 0 0 84 -4,-2.3 4,-3.4 1,-0.2 5,-0.2 0.866 112.9 64.4 -49.0 -36.5 43.2 68.7 52.6 136 143 A A H X S+ 0 0 19 -4,-2.9 4,-1.6 -5,-0.3 -1,-0.2 0.957 109.3 31.8 -52.0 -63.7 41.2 69.5 49.5 137 144 A F H X S+ 0 0 5 -4,-1.6 4,-1.3 -3,-0.2 -1,-0.2 0.838 118.2 58.8 -66.4 -31.5 41.7 73.3 49.5 138 145 A S H X S+ 0 0 28 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.932 104.4 50.2 -61.5 -49.0 45.1 72.8 51.0 139 146 A N H >X S+ 0 0 68 -4,-3.4 4,-1.2 2,-0.2 3,-0.8 0.975 105.5 52.4 -53.5 -65.7 46.3 70.6 48.0 140 147 A I H 3X S+ 0 0 5 -4,-1.6 4,-1.3 1,-0.3 5,-0.4 0.840 109.7 54.5 -41.9 -35.8 45.2 73.0 45.3 141 148 A L H 3X S+ 0 0 37 -4,-1.3 4,-1.8 -5,-0.2 -1,-0.3 0.939 111.3 43.2 -65.0 -47.5 47.2 75.5 47.3 142 149 A A H 0 0 69 0, 0.0 4,-1.7 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 123.5 43.2 67.3 8.9 151 3 B T H > + 0 0 48 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.852 360.0 57.3 -77.4 -34.9 41.7 70.5 10.1 152 4 B L H > S+ 0 0 31 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.882 108.7 48.0 -61.1 -38.6 38.5 68.8 11.3 153 5 B A H > S+ 0 0 1 213,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.933 110.5 52.0 -66.1 -46.8 40.8 66.6 13.5 154 6 B K H X S+ 0 0 87 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.927 111.5 45.2 -56.8 -49.7 42.6 69.7 14.7 155 7 B I H X S+ 0 0 0 -4,-3.0 4,-3.3 1,-0.2 5,-0.3 0.951 110.9 54.4 -60.3 -48.6 39.3 71.5 15.7 156 8 B E H X S+ 0 0 4 -4,-2.4 4,-3.1 1,-0.2 -2,-0.2 0.877 104.7 53.3 -52.5 -45.4 38.0 68.3 17.4 157 9 B A H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.949 114.2 42.8 -57.5 -48.4 41.0 67.9 19.6 158 10 B L H X S+ 0 0 1 -4,-1.7 4,-2.3 2,-0.2 5,-0.2 0.983 114.0 48.8 -61.3 -58.6 40.6 71.5 20.8 159 11 B L H < S+ 0 0 1 -4,-3.3 54,-0.5 1,-0.2 4,-0.5 0.891 113.4 52.4 -46.7 -41.6 36.9 71.2 21.2 160 12 B F H >< S+ 0 0 2 -4,-3.1 3,-1.3 -5,-0.3 -2,-0.2 0.950 110.4 41.8 -61.3 -55.6 37.5 68.0 23.1 161 13 B V H 3< S+ 0 0 17 -4,-2.6 -48,-0.3 1,-0.3 -1,-0.2 0.753 100.1 71.8 -68.3 -24.6 40.1 69.3 25.7 162 14 B A T 3X S- 0 0 10 -4,-2.3 4,-0.6 1,-0.2 3,-0.4 0.759 84.9-173.4 -61.6 -21.9 38.2 72.5 26.3 163 15 B G T <4 - 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0 0 7 -110,-0.4 -2,-0.1 -2,-0.3 -1,-0.1 -0.131 53.0-121.1 -48.0 131.2 31.5 64.5 45.4 236 88 B S > - 0 0 26 -4,-0.1 4,-1.8 1,-0.1 5,-0.2 -0.014 27.5 -98.2 -67.6 176.6 34.1 64.3 42.7 237 89 B R H > S+ 0 0 157 1,-0.2 4,-0.8 2,-0.2 -1,-0.1 0.774 127.9 40.7 -67.1 -26.0 37.7 65.3 43.0 238 90 B A H > S+ 0 0 24 2,-0.2 4,-2.8 3,-0.1 5,-0.2 0.839 109.7 54.7 -90.7 -40.4 36.7 68.6 41.4 239 91 B A H > S+ 0 0 1 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.871 113.1 45.4 -61.6 -35.9 33.4 69.2 43.1 240 92 B L H X S+ 0 0 17 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.907 110.9 52.0 -73.0 -43.7 35.2 68.9 46.4 241 93 B E H X S+ 0 0 36 -4,-0.8 4,-1.9 -5,-0.2 -2,-0.2 0.933 115.9 42.5 -57.2 -46.2 38.1 71.2 45.3 242 94 B T H X S+ 0 0 0 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.975 111.1 53.6 -63.0 -58.2 35.5 73.7 44.3 243 95 B L H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.864 110.5 48.4 -45.7 -46.1 33.3 73.3 47.4 244 96 B S H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 5,-0.3 0.947 105.4 56.6 -62.5 -50.8 36.3 74.0 49.6 245 97 B I H X S+ 0 0 0 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.853 111.9 44.0 -50.3 -38.9 37.4 77.1 47.7 246 98 B I H >X S+ 0 0 0 -4,-1.9 4,-3.3 2,-0.2 3,-0.7 0.992 107.1 58.4 -68.9 -62.3 34.0 78.6 48.3 247 99 B A H 3< S+ 0 0 8 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.780 119.7 30.4 -32.9 -44.3 33.9 77.5 52.0 248 100 B Y H 3< S+ 0 0 47 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.721 130.3 32.1 -94.5 -24.9 37.1 79.5 52.6 249 101 B K H << S+ 0 0 109 -4,-1.9 -2,-0.2 -3,-0.7 -3,-0.2 0.469 88.2 169.3-113.4 -2.4 37.0 82.4 50.1 250 102 B Q < + 0 0 38 -4,-3.3 44,-0.1 -5,-0.2 2,-0.1 -0.208 55.4 57.7 -54.2 140.8 33.2 83.0 49.9 251 103 B P S S+ 0 0 72 0, 0.0 2,-0.3 0, 0.0 43,-0.2 0.482 84.4 143.9 -75.2 139.8 31.8 85.3 48.6 252 104 B I E -C 293 0B 6 41,-1.4 41,-3.6 -2,-0.1 2,-0.2 -0.982 42.2-125.3-145.7 151.3 33.6 84.4 45.4 253 105 B T E > -C 292 0B 3 -2,-0.3 4,-2.4 39,-0.2 5,-0.2 -0.604 26.7-112.1 -98.5 160.9 32.6 84.4 41.7 254 106 B R H > S+ 0 0 81 37,-0.6 4,-2.6 1,-0.2 3,-0.3 0.952 120.0 50.6 -51.0 -56.6 32.7 81.6 39.1 255 107 B I H > S+ 0 0 97 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.856 111.5 49.6 -50.7 -40.4 35.5 83.4 37.2 256 108 B E H 4 S+ 0 0 61 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.865 110.2 48.6 -69.8 -37.9 37.4 83.7 40.5 257 109 B I H >X S+ 0 0 1 -4,-2.4 4,-1.7 -3,-0.3 3,-0.9 0.862 110.2 52.8 -68.7 -37.2 37.0 80.0 41.4 258 110 B D H 3X S+ 0 0 24 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.904 102.5 59.6 -62.4 -43.0 38.1 79.0 37.9 259 111 B A H 3< S+ 0 0 75 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.582 107.4 45.5 -63.8 -13.1 41.3 81.2 38.4 260 112 B I H <4 S+ 0 0 45 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.2 0.794 117.7 39.6 -99.1 -38.5 42.3 79.1 41.4 261 113 B R H < S- 0 0 29 -4,-1.7 2,-2.0 2,-0.2 -2,-0.2 0.525 100.1-143.5 -84.7 -6.7 41.7 75.6 40.0 262 114 B G S < S+ 0 0 64 -4,-1.1 2,-0.2 -5,-0.2 -1,-0.1 -0.108 73.3 84.9 73.7 -41.6 43.1 77.1 36.8 263 115 B V S S- 0 0 71 -2,-2.0 -2,-0.2 1,-0.1 -3,-0.1 -0.575 94.0 -95.3 -91.8 152.7 40.6 75.0 34.9 264 116 B N + 0 0 32 -2,-0.2 -1,-0.1 -102,-0.1 -100,-0.1 -0.277 42.0 175.1 -59.9 154.2 37.0 76.0 34.1 265 117 B S > + 0 0 6 -3,-0.1 4,-1.8 -11,-0.1 3,-0.5 0.030 33.3 126.1-156.9 36.4 34.6 74.5 36.6 266 118 B S H > S+ 0 0 44 1,-0.2 4,-1.2 2,-0.2 -2,-0.0 0.871 78.6 59.4 -65.8 -32.8 31.1 75.7 36.0 267 119 B G H > S+ 0 0 4 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.770 104.7 46.4 -66.8 -29.1 30.0 72.1 35.9 268 120 B A H >> S+ 0 0 6 -3,-0.5 4,-2.2 2,-0.2 3,-1.0 0.935 109.5 53.4 -75.2 -50.8 31.2 71.4 39.4 269 121 B L H 3X S+ 0 0 6 -4,-1.8 4,-1.0 1,-0.3 -2,-0.2 0.788 104.5 61.0 -50.5 -31.0 29.6 74.5 40.8 270 122 B A H 3X S+ 0 0 40 -4,-1.2 4,-0.9 2,-0.2 -1,-0.3 0.892 105.2 43.8 -65.9 -43.4 26.5 73.1 39.0 271 123 B K H S+ 0 0 1 -4,-2.2 5,-3.3 1,-0.2 6,-1.5 0.761 107.1 49.9 -64.6 -24.8 27.1 71.8 44.4 273 125 B Q H ><5S+ 0 0 80 -4,-1.0 3,-0.9 -5,-0.3 -1,-0.2 0.775 106.2 55.9 -84.0 -25.6 24.0 73.9 43.8 274 126 B A H 3<5S+ 0 0 57 -4,-0.9 -2,-0.2 1,-0.2 -1,-0.2 0.810 110.3 45.3 -72.6 -30.0 22.0 70.7 43.1 275 127 B F T 3<5S- 0 0 30 -4,-1.5 -1,-0.2 -152,-0.1 -2,-0.2 0.148 113.5-119.8 -97.8 14.8 23.0 69.4 46.5 276 128 B D T < 5S+ 0 0 88 -3,-0.9 23,-0.3 -5,-0.1 -3,-0.2 0.870 77.0 127.8 49.5 41.4 22.2 72.7 48.1 277 129 B L S S- 0 0 83 -2,-2.6 3,-1.6 4,-0.1 2,-0.4 -0.698 86.0 -56.2-133.3-175.7 32.2 95.0 39.0 287 139 B L T 3 S+ 0 0 163 1,-0.3 -3,-0.0 -2,-0.2 -2,-0.0 -0.539 130.1 17.4 -68.5 123.0 31.8 95.3 35.2 288 140 B G T 3 S- 0 0 65 -2,-0.4 -1,-0.3 1,-0.2 -3,-0.1 0.130 100.6-124.8 101.7 -21.7 29.5 92.5 34.2 289 141 B R < - 0 0 118 -3,-1.6 -1,-0.2 1,-0.1 -4,-0.1 0.915 35.1-158.0 40.9 66.3 28.2 92.0 37.8 290 142 B P - 0 0 32 0, 0.0 -6,-2.0 0, 0.0 -4,-0.1 -0.263 23.5 -90.8 -67.8 156.6 29.0 88.3 38.0 291 143 B N E - D 0 283B 44 -8,-0.2 -37,-0.6 1,-0.1 2,-0.5 -0.420 32.9-136.3 -73.1 145.5 27.2 86.1 40.5 292 144 B L E -C 253 0B 25 -10,-1.7 -11,-2.5 -39,-0.2 2,-0.3 -0.875 17.4-149.9-101.7 129.8 28.7 85.6 44.0 293 145 B Y E +CD 252 280B 29 -41,-3.6 -41,-1.4 -2,-0.5 2,-0.3 -0.796 18.8 172.1-104.8 147.1 28.7 82.0 45.4 294 146 B V E - D 0 279B 17 -15,-2.3 -15,-2.7 -2,-0.3 2,-0.1 -0.965 35.1-102.1-147.1 156.4 28.4 81.1 49.1 295 147 B T E - D 0 278B 9 -2,-0.3 -17,-0.3 -17,-0.3 2,-0.1 -0.432 42.7-133.0 -77.7 160.3 28.0 77.9 51.1 296 148 B T > - 0 0 10 -19,-2.5 4,-1.0 -20,-0.1 -1,-0.1 -0.340 23.1 -96.8-106.8-172.3 24.5 77.2 52.5 297 149 B D H >> S+ 0 0 128 1,-0.2 4,-1.3 2,-0.2 3,-0.7 0.941 124.6 51.7 -66.7 -50.2 22.9 76.1 55.8 298 150 B Y H 3> S+ 0 0 69 1,-0.2 4,-2.7 -22,-0.2 5,-0.3 0.795 97.5 68.4 -57.7 -31.8 22.8 72.5 54.6 299 151 B F H 3> S+ 0 0 1 -23,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.943 99.4 49.5 -52.4 -51.0 26.5 72.7 53.9 300 152 B L H S+ 0 0 29 -4,-1.0 5,-1.4 -3,-0.7 4,-0.7 0.956 112.4 47.1 -51.1 -59.4 27.2 73.0 57.6 301 153 B D H ><5S+ 0 0 108 -4,-1.3 3,-3.5 1,-0.2 -2,-0.2 0.952 111.6 49.8 -43.9 -69.1 24.9 70.0 58.4 302 154 B Y H 3<5S+ 0 0 10 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.799 111.9 49.3 -40.6 -41.6 26.5 67.8 55.6 303 155 B X H 3<5S- 0 0 8 -4,-2.2 -173,-0.7 -3,-0.3 -1,-0.3 0.535 114.9-118.3 -80.3 -7.8 29.9 68.7 56.9 304 156 B G T <<5S+ 0 0 61 -3,-3.5 2,-0.3 -4,-0.7 -3,-0.2 0.975 75.8 112.3 67.0 56.3 28.9 67.8 60.5 305 157 B I < - 0 0 9 -5,-1.4 -1,-0.3 -4,-0.1 3,-0.1 -0.888 59.9-146.6-147.9 172.9 29.5 71.3 61.8 306 158 B N S S+ 0 0 137 1,-0.4 2,-0.2 -2,-0.3 -5,-0.1 0.316 80.3 20.2-131.8 7.4 27.4 74.3 63.1 307 159 B H S > S- 0 0 103 -7,-0.1 3,-3.3 1,-0.0 -1,-0.4 -0.783 72.8-116.7-176.7 131.8 29.3 77.4 62.0 308 160 B L G > S+ 0 0 64 1,-0.3 3,-0.9 -2,-0.2 -1,-0.0 0.634 109.7 72.6 -45.2 -17.4 31.8 78.2 59.2 309 161 B E G 3 S+ 0 0 165 1,-0.2 -1,-0.3 4,-0.0 4,-0.1 0.618 81.9 68.5 -78.7 -11.2 34.2 79.1 62.0 310 162 B E G < S+ 0 0 102 -3,-3.3 -1,-0.2 2,-0.1 -2,-0.2 0.545 75.4 110.8 -82.5 -7.8 34.7 75.4 63.0 311 163 B L S < S- 0 0 15 -3,-0.9 3,-0.1 -4,-0.3 -180,-0.1 -0.424 87.6 -91.4 -67.4 140.9 36.5 74.8 59.6 312 164 B P - 0 0 40 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.312 48.7-112.6 -55.3 127.3 40.3 74.1 60.1 313 165 B V - 0 0 136 -4,-0.1 2,-0.3 -3,-0.1 -4,-0.0 -0.123 32.5-165.0 -58.5 159.0 42.2 77.4 59.9 314 166 B I + 0 0 70 -3,-0.1 2,-0.3 -66,-0.1 -1,-0.0 -0.886 17.5 159.4-154.9 118.2 44.5 78.0 56.9 315 167 B D 0 0 164 -2,-0.3 -2,-0.0 1,-0.1 0, 0.0 -0.853 360.0 360.0-146.8 107.5 47.2 80.7 56.5 316 168 B E 0 0 103 -2,-0.3 -1,-0.1 0, 0.0 -175,-0.0 0.841 360.0 360.0-107.0 360.0 50.1 80.5 54.1 317 !* 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 0.0 318 2 C S > 0 0 65 0, 0.0 4,-1.0 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 166.7 25.9 51.0 18.8 319 3 C T H > + 0 0 43 2,-0.2 4,-2.5 3,-0.1 5,-0.2 0.775 360.0 53.7 -87.4 -30.6 28.1 49.3 21.4 320 4 C L H > S+ 0 0 25 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.912 110.0 48.2 -65.6 -42.2 30.9 51.3 20.0 321 5 C A H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.845 110.6 50.7 -67.0 -36.2 28.8 54.4 20.5 322 6 C K H X S+ 0 0 88 -4,-1.0 4,-2.1 2,-0.2 5,-0.2 0.925 111.3 47.6 -68.6 -45.0 27.9 53.4 24.0 323 7 C I H X S+ 0 0 0 -4,-2.5 4,-3.1 2,-0.2 5,-0.3 0.984 113.5 46.6 -58.0 -60.1 31.5 52.8 25.0 324 8 C E H X S+ 0 0 4 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.914 109.2 56.5 -46.7 -53.4 32.7 56.2 23.5 325 9 C A H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.927 115.0 36.0 -45.0 -60.2 29.9 58.0 25.2 326 10 C L H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 5,-0.3 0.958 115.6 53.3 -58.9 -55.9 30.8 56.8 28.7 327 11 C L H X S+ 0 0 0 -4,-3.1 4,-1.8 1,-0.2 54,-0.6 0.784 110.0 52.0 -50.3 -31.3 34.6 56.9 28.1 328 12 C F H < S+ 0 0 9 -4,-2.6 -213,-0.3 -5,-0.3 -1,-0.2 0.933 107.0 49.8 -71.2 -51.5 34.0 60.5 27.0 329 13 C V H < S+ 0 0 6 -4,-2.1 -214,-1.8 -5,-0.2 -2,-0.2 0.912 114.5 45.8 -55.9 -43.5 32.1 61.5 30.1 330 14 C A H >< S+ 0 0 1 -4,-2.7 3,-1.9 -216,-0.2 -1,-0.2 0.895 83.0 159.2 -67.4 -41.9 34.9 60.0 32.3 331 15 C G G >< + 0 0 0 -4,-1.8 3,-2.4 -5,-0.3 50,-0.3 -0.310 69.7 12.0 57.6-129.4 37.6 61.6 30.3 332 16 C E G 3 S+ 0 0 92 -220,-2.8 -1,-0.3 1,-0.3 -219,-0.1 0.760 128.9 58.5 -50.1 -31.5 40.9 61.9 32.2 333 17 C D G < S- 0 0 55 -3,-1.9 -1,-0.3 -221,-0.3 -2,-0.2 0.678 90.5-170.0 -74.2 -19.1 39.4 59.5 34.9 334 18 C G < - 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