==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-JAN-11 3QHQ . COMPND 2 MOLECULE: SAG0897 FAMILY CRISPR-ASSOCIATED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS AGALACTIAE; . AUTHOR P.ELLINGER,Z.ARSLAN,R.WURM,B.TSCHAPEK,K.PFEFFER,R.WAGNER,L.S . 433 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25580.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 311 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 4.4 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 . 3 0.7 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 . 1 0.2 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 . 50 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 156 36.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 2 0 0 0 0 2 4 0 2 0 0 0 0 0 0 0 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 4 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 . 2 1 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 1 A M 0 0 87 0, 0.0 2,-0.4 0, 0.0 15,-0.2 0.000 360.0 360.0 360.0 151.0 19.7 31.3 32.9 2 2 A V E -A 15 0A 6 13,-1.9 13,-4.0 49,-0.0 2,-0.4 -0.941 360.0-143.7-120.0 144.4 23.4 32.0 32.8 3 3 A K E -AB 14 48A 84 45,-3.0 45,-2.4 -2,-0.4 2,-0.4 -0.906 9.1-159.9-110.7 141.7 25.8 31.4 35.7 4 4 A I E +AB 13 47A 0 9,-2.5 9,-3.0 -2,-0.4 2,-0.3 -0.949 12.9 173.9-117.8 139.1 28.8 33.6 36.6 5 5 A N E + B 0 46A 44 41,-2.3 41,-3.2 -2,-0.4 39,-0.1 -0.997 8.4 156.3-142.5 147.5 31.8 32.6 38.7 6 6 A F > - 0 0 19 -2,-0.3 3,-1.5 39,-0.2 39,-0.1 -0.938 56.9 -87.2-158.3 163.6 35.1 34.1 39.8 7 7 A P T 3 S+ 0 0 110 0, 0.0 38,-0.0 0, 0.0 -1,-0.0 0.800 121.2 56.7 -48.3 -40.9 37.5 33.5 42.7 8 8 A I T 3 S+ 0 0 52 20,-0.0 2,-0.3 -3,-0.0 3,-0.0 0.808 92.4 82.0 -65.0 -30.5 35.7 35.9 45.2 9 9 A L S < S- 0 0 13 -3,-1.5 -3,-0.1 1,-0.1 205,-0.1 -0.573 70.8-150.1 -72.9 135.0 32.4 34.1 44.8 10 10 A D S S+ 0 0 173 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.847 82.8 4.9 -72.6 -35.6 32.0 31.0 47.0 11 11 A E S S- 0 0 146 -7,-0.1 -1,-0.2 -3,-0.0 -5,-0.1 -0.949 97.3 -76.7-141.4 163.3 29.7 29.4 44.4 12 12 A P - 0 0 47 0, 0.0 2,-0.5 0, 0.0 -7,-0.2 -0.236 44.6-132.7 -59.3 152.4 28.4 30.3 40.9 13 13 A L E -A 4 0A 10 -9,-3.0 -9,-2.5 -4,-0.0 2,-0.4 -0.935 13.2-128.4-111.0 129.2 25.7 33.0 40.8 14 14 A V E -A 3 0A 63 -2,-0.5 2,-0.7 -11,-0.2 -11,-0.2 -0.637 15.8-162.0 -78.3 125.2 22.6 32.4 38.7 15 15 A L E +A 2 0A 0 -13,-4.0 -13,-1.9 -2,-0.4 2,-0.4 -0.852 21.8 166.2-107.5 91.7 21.8 35.3 36.3 16 16 A S - 0 0 56 -2,-0.7 175,-0.1 -15,-0.2 176,-0.1 -0.908 58.3 -37.4-110.6 136.7 18.1 34.9 35.3 17 17 A N S S+ 0 0 62 173,-0.5 176,-3.0 -2,-0.4 2,-0.5 -0.240 126.3 1.6 49.1-130.1 16.2 37.6 33.6 18 18 A A E S+d 193 0B 26 165,-0.2 2,-0.4 174,-0.2 176,-0.2 -0.760 75.7 175.3 -88.4 125.7 17.2 41.0 35.1 19 19 A T E -d 194 0B 12 174,-2.6 176,-2.8 -2,-0.5 2,-0.5 -0.995 19.9-152.6-127.9 135.3 20.0 40.8 37.7 20 20 A I E -d 195 0B 9 -2,-0.4 187,-2.5 185,-0.3 2,-0.5 -0.933 11.5-172.8-104.0 125.4 21.8 43.6 39.5 21 21 A L E -de 196 207B 0 174,-2.7 176,-2.7 -2,-0.5 2,-0.5 -0.976 5.2-168.4-117.8 117.6 25.3 42.7 40.7 22 22 A T E -de 197 208B 0 185,-3.2 187,-2.9 -2,-0.5 2,-0.5 -0.894 7.5-167.4-109.1 128.6 26.9 45.4 42.9 23 23 A I E - e 0 209B 1 174,-2.8 187,-0.2 -2,-0.5 6,-0.1 -0.952 2.5-169.6-117.4 111.5 30.6 45.4 43.8 24 24 A E + 0 0 62 185,-2.7 2,-0.5 -2,-0.5 186,-0.1 0.612 65.1 82.9 -80.8 -9.9 31.5 47.8 46.6 25 25 A D S > S- 0 0 39 184,-0.4 4,-2.5 185,-0.2 5,-0.2 -0.833 70.0-148.4 -98.4 125.1 35.3 47.5 46.3 26 26 A V H > S+ 0 0 40 -2,-0.5 4,-3.0 1,-0.2 5,-0.2 0.907 95.1 48.0 -59.8 -46.6 36.8 49.7 43.5 27 27 A S H > S+ 0 0 67 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.908 114.8 44.6 -63.1 -45.3 39.7 47.3 42.6 28 28 A V H > S+ 0 0 18 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.899 115.4 49.2 -66.9 -41.3 37.5 44.2 42.4 29 29 A Y H X S+ 0 0 1 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.951 113.2 45.8 -60.5 -51.1 34.8 46.1 40.5 30 30 A S H X S+ 0 0 17 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.883 113.0 50.8 -60.4 -42.6 37.4 47.5 38.0 31 31 A S H X S+ 0 0 47 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.886 109.4 50.3 -63.4 -41.1 39.0 44.1 37.6 32 32 A L H X S+ 0 0 7 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.911 110.2 49.5 -65.9 -42.5 35.7 42.4 36.9 33 33 A V H X S+ 0 0 3 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.940 111.7 49.7 -59.5 -47.0 34.8 45.0 34.2 34 34 A K H X S+ 0 0 42 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.920 109.8 51.1 -55.0 -46.3 38.3 44.4 32.7 35 35 A H H X S+ 0 0 26 -4,-2.5 4,-0.7 1,-0.2 7,-0.3 0.850 106.8 53.6 -66.4 -34.8 37.7 40.6 32.7 36 36 A F H >< S+ 0 0 2 -4,-2.2 3,-0.7 2,-0.2 -1,-0.2 0.919 109.6 48.4 -59.8 -45.8 34.4 41.0 30.9 37 37 A Y H 3< S+ 0 0 61 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.724 115.6 45.2 -68.0 -22.2 36.0 43.0 28.2 38 38 A Q H >< S+ 0 0 39 -4,-1.3 3,-2.1 -5,-0.2 4,-0.3 0.483 93.7 175.1 -94.5 -8.6 38.7 40.3 28.0 39 39 A Y T << + 0 0 20 -3,-0.7 21,-0.1 -4,-0.7 -3,-0.1 -0.198 60.7 8.7 -50.7 128.8 36.3 37.3 28.0 40 40 A D T 3 S+ 0 0 83 5,-0.2 -1,-0.3 15,-0.1 -2,-0.1 -0.939 114.3 69.6-112.0 20.7 37.2 34.6 27.7 41 41 A V S < S+ 0 0 116 -3,-2.1 -2,-0.2 1,-0.1 -6,-0.1 0.783 100.6 55.4 -63.1 -26.9 41.1 34.9 27.8 42 42 A D S S+ 0 0 16 -7,-0.3 -1,-0.1 -4,-0.3 4,-0.1 0.975 71.5 177.0 -70.5 -90.8 40.9 35.8 31.5 43 43 A E + 0 0 38 2,-0.2 -37,-0.1 -8,-0.1 3,-0.1 0.894 65.3 95.0 42.7 90.8 39.1 33.1 33.5 44 44 A H S S+ 0 0 90 -39,-0.1 2,-0.6 2,-0.0 -39,-0.1 -0.225 87.3 77.3 26.6 -82.5 39.1 33.7 36.6 45 45 A L - 0 0 2 -39,-0.1 2,-0.4 -41,-0.1 -39,-0.2 -0.493 68.4-175.9 -72.5 113.6 35.9 34.9 34.8 46 46 A K E +B 5 0A 86 -41,-3.2 -41,-2.3 -2,-0.6 2,-0.4 -0.914 12.8 176.9-111.8 131.9 33.5 32.1 34.2 47 47 A L E +B 4 0A 0 -2,-0.4 8,-2.8 -43,-0.2 2,-0.3 -0.979 23.5 152.3-131.0 118.2 30.2 32.3 32.3 48 48 A F E +BC 3 54A 37 -45,-2.4 -45,-3.0 -2,-0.4 6,-0.2 -0.843 12.4 107.5-143.7 175.6 28.3 29.1 31.8 49 49 A D + 0 0 18 1,-1.7 2,-0.3 4,-1.1 -46,-0.2 0.897 34.9 124.3 72.2 104.4 25.0 27.2 31.3 50 50 A D S > S- 0 0 56 -48,-0.1 3,-4.0 4,-0.1 -1,-1.7 -0.242 121.1 -62.1 22.4 90.2 24.3 26.1 28.6 51 51 A K T 3 S- 0 0 90 1,-0.3 3,-0.1 -2,-0.3 -49,-0.0 0.192 115.1 -26.7 -27.4 88.7 24.2 23.3 31.2 52 52 A Q T 3 S+ 0 0 90 1,-0.2 2,-0.5 -49,-0.0 -1,-0.3 0.228 112.4 122.8 83.1 -9.1 27.9 23.3 32.4 53 53 A K < - 0 0 143 -3,-4.0 -4,-1.1 1,-0.1 -1,-0.2 -0.724 64.4-118.6 -93.3 127.2 29.1 24.7 29.0 54 54 A S B -C 48 0A 68 -2,-0.5 -6,-0.3 -6,-0.2 2,-0.2 -0.308 28.5-113.1 -59.2 135.7 31.1 28.0 28.8 55 55 A L - 0 0 3 -8,-2.8 -8,-0.2 1,-0.1 2,-0.1 -0.500 33.9-118.6 -62.5 136.7 29.5 30.8 26.9 56 56 A K > - 0 0 139 -2,-0.2 3,-1.8 1,-0.1 4,-0.3 -0.455 24.1-111.2 -71.4 155.0 31.6 31.6 23.8 57 57 A A G > S+ 0 0 48 1,-0.3 3,-1.5 2,-0.2 -1,-0.1 0.850 118.7 62.2 -55.1 -34.6 33.1 35.1 23.6 58 58 A T G 3 S+ 0 0 92 1,-0.3 -1,-0.3 104,-0.0 103,-0.0 0.653 92.6 65.0 -66.8 -17.8 30.6 35.8 20.8 59 59 A E G < S+ 0 0 27 -3,-1.8 104,-3.1 103,-0.1 105,-1.6 0.512 84.9 91.2 -83.7 -6.6 27.7 35.3 23.1 60 60 A L E < -f 164 0B 16 -3,-1.5 2,-0.5 -4,-0.3 105,-0.2 -0.767 54.3-169.0 -97.4 133.5 28.5 38.2 25.3 61 61 A M E -f 165 0B 10 103,-2.8 105,-2.7 -2,-0.4 2,-0.5 -0.976 10.1-168.8-121.2 113.7 27.1 41.7 24.6 62 62 A L E -f 166 0B 42 -2,-0.5 2,-0.5 103,-0.2 105,-0.2 -0.902 5.7-176.9-110.2 127.9 28.7 44.5 26.6 63 63 A V E +f 167 0B 4 103,-3.0 105,-2.8 -2,-0.5 3,-0.1 -0.968 26.8 139.4-128.3 117.5 27.3 48.0 26.9 64 64 A T S S+ 0 0 4 -2,-0.5 2,-1.0 1,-0.2 -1,-0.1 0.647 74.6 56.1-114.2 -43.2 29.0 50.9 28.7 65 65 A D > + 0 0 35 1,-0.2 4,-0.6 2,-0.1 -1,-0.2 -0.802 66.5 177.4 -93.4 97.6 28.4 53.7 26.3 66 66 A I T >4 S+ 0 0 6 -2,-1.0 3,-0.8 1,-0.2 -1,-0.2 0.941 78.2 42.0 -70.1 -49.1 24.6 53.6 25.9 67 67 A L T 34 S+ 0 0 38 1,-0.2 -1,-0.2 3,-0.1 -2,-0.1 0.794 112.3 56.3 -71.8 -27.4 24.1 56.6 23.6 68 68 A G T 34 S+ 0 0 47 2,-0.1 2,-0.3 -4,-0.0 -1,-0.2 0.642 80.0 111.4 -76.7 -15.7 27.1 55.6 21.5 69 69 A Y << - 0 0 54 -3,-0.8 2,-1.0 -4,-0.6 -6,-0.0 -0.445 66.4-139.9 -66.1 123.0 25.6 52.1 20.8 70 70 A D > + 0 0 98 -2,-0.3 3,-0.9 1,-0.2 -1,-0.1 -0.749 22.3 180.0 -93.8 101.7 24.7 51.9 17.1 71 71 A V T 3 S+ 0 0 4 -2,-1.0 -1,-0.2 1,-0.3 67,-0.1 0.771 82.8 47.1 -69.5 -28.8 21.4 50.1 16.8 72 72 A N T 3 S+ 0 0 19 4,-0.1 -1,-0.3 65,-0.1 -2,-0.0 -0.291 79.2 154.4-111.7 46.8 21.4 50.5 13.0 73 73 A S <> - 0 0 28 -3,-0.9 4,-2.8 1,-0.1 5,-0.2 -0.264 59.4-104.4 -65.2 158.8 25.0 49.3 12.3 74 74 A A H > S+ 0 0 78 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.898 121.7 49.6 -54.1 -46.7 25.8 47.9 8.8 75 75 A P H > S+ 0 0 97 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.905 112.3 47.5 -59.5 -43.0 25.9 44.3 10.2 76 76 A I H > S+ 0 0 12 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.934 112.4 49.2 -63.6 -45.9 22.5 44.7 12.1 77 77 A L H X S+ 0 0 37 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.883 108.4 54.2 -59.2 -40.9 20.9 46.2 8.9 78 78 A K H X S+ 0 0 167 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.898 109.9 47.3 -60.6 -42.1 22.3 43.3 6.8 79 79 A L H X S+ 0 0 78 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.926 113.0 48.5 -63.4 -47.1 20.7 40.8 9.2 80 80 A I H X S+ 0 0 20 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.931 112.6 46.8 -60.8 -48.0 17.3 42.7 9.2 81 81 A H H X S+ 0 0 19 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.892 113.9 48.3 -64.7 -39.6 17.1 42.9 5.4 82 82 A G H X S+ 0 0 25 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.874 110.6 51.4 -64.6 -41.3 18.1 39.2 5.0 83 83 A D H X S+ 0 0 58 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.884 109.0 50.7 -63.9 -39.9 15.5 38.2 7.6 84 84 A L H X S+ 0 0 46 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.884 109.2 51.0 -66.4 -38.6 12.8 40.2 5.7 85 85 A E H X S+ 0 0 55 -4,-1.9 4,-2.2 1,-0.2 3,-0.3 0.916 108.8 51.9 -60.6 -43.7 13.7 38.5 2.5 86 86 A N H X S+ 0 0 91 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.821 102.8 59.3 -60.1 -34.6 13.4 35.1 4.2 87 87 A Q H < S+ 0 0 119 -4,-1.6 -1,-0.2 2,-0.2 4,-0.2 0.867 108.0 45.2 -63.1 -38.4 9.9 36.2 5.4 88 88 A F H >< S+ 0 0 57 -4,-1.4 3,-1.7 -3,-0.3 7,-0.5 0.899 108.1 57.4 -67.1 -42.2 8.9 36.5 1.7 89 89 A N H 3< S+ 0 0 59 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.827 105.7 51.0 -58.7 -31.8 10.6 33.2 0.9 90 90 A E T 3< S+ 0 0 160 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.530 107.2 57.9 -81.7 -7.9 8.4 31.6 3.5 91 91 A K <> - 0 0 124 -3,-1.7 4,-2.7 -4,-0.2 3,-0.4 -0.732 64.5-179.9-124.8 80.2 5.3 33.2 1.9 92 92 A P H > S+ 0 0 96 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.794 79.0 54.7 -51.3 -38.7 5.2 32.0 -1.8 93 93 A E H > S+ 0 0 162 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.929 114.8 38.4 -64.5 -45.8 2.0 34.0 -2.7 94 94 A V H > S+ 0 0 45 -3,-0.4 4,-2.5 2,-0.2 5,-0.2 0.867 113.3 55.7 -75.2 -37.8 3.3 37.3 -1.5 95 95 A K H X S+ 0 0 63 -4,-2.7 4,-2.5 -7,-0.5 -2,-0.2 0.949 109.0 48.8 -54.4 -49.9 6.8 36.6 -2.9 96 96 A S H X S+ 0 0 46 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.862 109.5 53.3 -57.5 -39.7 5.2 36.1 -6.3 97 97 A M H X S+ 0 0 106 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.920 109.2 46.7 -63.7 -46.5 3.3 39.3 -5.9 98 98 A V H X S+ 0 0 28 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.937 113.4 50.0 -59.6 -46.5 6.4 41.4 -5.2 99 99 A E H X S+ 0 0 98 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.868 109.3 51.4 -60.4 -40.9 8.2 39.7 -8.1 100 100 A K H X S+ 0 0 143 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.927 111.6 46.5 -60.2 -47.9 5.2 40.5 -10.4 101 101 A L H X S+ 0 0 113 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.882 111.1 52.0 -64.1 -41.4 5.2 44.2 -9.4 102 102 A A H X S+ 0 0 7 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.859 109.2 50.9 -62.7 -37.5 9.0 44.4 -9.9 103 103 A A H X S+ 0 0 58 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.835 108.7 50.5 -70.2 -35.7 8.7 42.9 -13.4 104 104 A T H X S+ 0 0 72 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.944 112.3 47.1 -66.9 -46.3 5.9 45.4 -14.4 105 105 A I H X S+ 0 0 83 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.931 111.2 53.1 -55.4 -47.6 8.2 48.3 -13.1 106 106 A T H X S+ 0 0 32 -4,-2.4 4,-3.1 1,-0.2 -2,-0.2 0.919 106.4 51.3 -54.5 -48.5 11.1 46.7 -15.0 107 107 A E H X S+ 0 0 129 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.863 111.0 49.6 -60.2 -35.5 9.1 46.6 -18.3 108 108 A L H X S+ 0 0 114 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.937 113.9 43.1 -69.3 -47.5 8.2 50.3 -17.8 109 109 A I H X S+ 0 0 88 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.871 110.1 58.7 -63.0 -38.3 11.9 51.4 -17.2 110 110 A A H X S+ 0 0 14 -4,-3.1 4,-1.9 -5,-0.2 -1,-0.2 0.884 103.1 52.8 -57.9 -40.2 13.0 49.1 -20.1 111 111 A F H X S+ 0 0 112 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.920 108.4 49.0 -62.2 -44.7 10.7 51.1 -22.4 112 112 A E H X S+ 0 0 122 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.839 107.6 56.3 -63.5 -34.3 12.4 54.4 -21.3 113 113 A C H < S+ 0 0 27 -4,-2.1 7,-0.3 2,-0.2 -1,-0.2 0.897 109.0 45.6 -62.1 -43.2 15.8 52.8 -21.9 114 114 A L H < S+ 0 0 148 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.851 111.7 52.0 -68.3 -36.1 14.9 52.0 -25.5 115 115 A E H < S+ 0 0 133 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.879 94.2 90.4 -65.5 -38.4 13.5 55.5 -25.9 116 116 A N S < S- 0 0 78 -4,-2.2 4,-0.2 -5,-0.1 -3,-0.0 -0.283 85.1-127.7 -56.5 142.1 16.8 56.9 -24.6 117 117 A E S S+ 0 0 194 2,-0.1 2,-0.1 0, 0.0 -1,-0.1 0.716 84.7 86.5 -70.4 -22.6 19.4 57.6 -27.3 118 118 A L S S- 0 0 116 1,-0.1 2,-1.1 -5,-0.1 -2,-0.0 -0.487 90.5-111.8 -75.2 149.0 22.1 55.5 -25.5 119 119 A D - 0 0 165 -2,-0.1 2,-0.3 2,-0.0 -5,-0.1 -0.732 51.5-171.7 -80.4 101.5 22.3 51.8 -26.1 120 120 A L + 0 0 76 -2,-1.1 2,-0.3 -7,-0.3 -7,-0.0 -0.753 20.1 176.8-109.5 143.7 21.3 50.7 -22.6 121 121 A E - 0 0 184 -2,-0.3 2,-0.3 -8,-0.0 -2,-0.0 -0.812 6.7-177.8-129.6 173.9 21.2 47.3 -20.8 122 122 A Y - 0 0 139 -2,-0.3 -12,-0.0 1,-0.1 -2,-0.0 -0.945 21.3-136.1-160.4 172.5 20.3 46.3 -17.3 123 123 A D - 0 0 106 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.550 50.6 -69.1-104.9-101.9 20.0 43.4 -14.8 124 124 A E - 0 0 117 2,-0.0 2,-0.7 -18,-0.0 -1,-0.1 -0.985 28.1-114.1-154.9 159.5 17.0 42.9 -12.5 125 125 A I - 0 0 57 -2,-0.3 2,-0.2 -23,-0.1 -19,-0.1 -0.893 39.9-160.3 -98.1 114.3 15.2 44.4 -9.5 126 126 A T > - 0 0 51 -2,-0.7 4,-1.8 1,-0.1 5,-0.1 -0.517 29.5-116.3 -93.3 162.4 15.5 41.9 -6.6 127 127 A I H > S+ 0 0 15 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.901 118.3 53.2 -58.9 -42.2 13.3 41.7 -3.5 128 128 A L H > S+ 0 0 45 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.900 106.6 51.5 -61.3 -42.4 16.5 42.4 -1.4 129 129 A E H > S+ 0 0 91 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.863 109.8 50.2 -62.6 -36.7 17.2 45.6 -3.5 130 130 A L H X S+ 0 0 64 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.916 109.8 49.4 -67.6 -44.6 13.6 46.8 -2.8 131 131 A I H X>S+ 0 0 14 -4,-2.3 5,-1.1 2,-0.2 4,-0.5 0.932 115.0 45.7 -57.6 -46.1 13.9 46.2 0.9 132 132 A K H ><5S+ 0 0 117 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.911 110.4 52.4 -65.2 -43.9 17.2 48.1 0.9 133 133 A A H 3<5S+ 0 0 87 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.858 102.1 60.7 -61.3 -34.3 15.7 50.9 -1.3 134 134 A L H 3<5S- 0 0 141 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.674 107.6-129.2 -68.8 -16.6 12.8 51.3 1.2 135 135 A G T <<5 - 0 0 46 -3,-1.2 -3,-0.2 -4,-0.5 2,-0.1 0.847 31.7-169.5 74.1 35.8 15.4 52.1 3.9 136 136 A V < + 0 0 44 -5,-1.1 2,-0.3 -59,-0.0 -1,-0.2 -0.379 20.5 147.6 -61.4 129.0 14.1 49.6 6.5 137 137 A K - 0 0 117 -2,-0.1 2,-0.1 -57,-0.1 -65,-0.1 -0.975 53.1 -79.1-158.0 160.4 15.8 50.2 9.9 138 138 A I - 0 0 23 -2,-0.3 2,-0.2 -67,-0.1 -66,-0.0 -0.466 54.4-107.5 -66.6 136.0 15.1 49.9 13.6 139 139 A E - 0 0 143 -2,-0.1 2,-0.2 1,-0.1 -1,-0.1 -0.474 35.7-173.4 -65.6 130.4 13.0 52.8 14.9 140 140 A T + 0 0 73 -2,-0.2 -1,-0.1 1,-0.1 8,-0.1 -0.565 30.4 139.5-130.7 70.7 15.1 55.2 17.1 141 141 A Q + 0 0 159 -2,-0.2 -1,-0.1 6,-0.1 2,-0.1 0.311 35.1 126.6 -95.6 8.8 12.9 57.8 18.7 142 142 A S + 0 0 31 1,-0.2 3,-0.1 5,-0.1 -2,-0.0 -0.412 27.8 170.9 -62.9 136.9 14.8 57.6 22.0 143 143 A D + 0 0 73 -2,-0.1 -1,-0.2 1,-0.0 2,-0.1 0.710 59.8 54.7-107.9 -48.7 16.1 61.0 23.3 144 144 A T S > S- 0 0 40 1,-0.1 4,-2.3 4,-0.0 5,-0.1 -0.284 86.4-112.0 -89.2 166.6 17.3 60.0 26.8 145 145 A I H > S+ 0 0 4 2,-0.2 4,-1.6 1,-0.2 -1,-0.1 0.900 119.7 54.0 -60.2 -42.3 19.7 57.4 28.2 146 146 A F H > S+ 0 0 34 27,-0.2 4,-0.7 1,-0.2 3,-0.3 0.935 110.1 45.3 -56.2 -49.8 16.7 55.6 29.7 147 147 A E H >> S+ 0 0 83 1,-0.2 3,-0.9 2,-0.2 4,-0.8 0.888 108.5 57.0 -64.4 -40.2 14.8 55.5 26.4 148 148 A K H >X S+ 0 0 19 -4,-2.3 4,-1.8 1,-0.2 3,-0.5 0.832 95.3 66.4 -59.8 -36.0 17.9 54.3 24.5 149 149 A C H 3X S+ 0 0 0 -4,-1.6 4,-2.4 -3,-0.3 -1,-0.2 0.836 95.8 55.8 -55.7 -37.2 18.3 51.3 26.9 150 150 A F H < - 0 0 32 -4,-2.0 3,-1.7 1,-0.2 -1,-0.1 -0.657 59.4-174.6 -85.0 96.1 20.4 38.6 18.2 160 160 A T T 3 S+ 0 0 94 -2,-1.2 -1,-0.2 1,-0.3 -2,-0.1 0.706 80.6 64.8 -63.7 -21.9 19.9 34.9 18.9 161 161 A K T 3 S+ 0 0 143 -3,-0.1 2,-0.4 -103,-0.0 -1,-0.3 0.609 88.3 81.8 -76.7 -14.0 23.8 34.5 19.1 162 162 A K < + 0 0 51 -3,-1.7 -102,-0.2 -6,-0.3 -103,-0.1 -0.792 45.8 167.9 -95.7 135.6 23.9 36.7 22.2 163 163 A N + 0 0 65 -104,-3.1 29,-0.5 -2,-0.4 2,-0.3 0.410 65.4 40.9-128.7 -1.7 23.1 35.1 25.6 164 164 A L E -f 60 0B 0 -105,-1.6 -103,-2.8 27,-0.1 2,-0.5 -0.915 57.9-168.2-145.5 124.6 24.2 37.7 28.1 165 165 A L E -fg 61 193B 0 27,-1.9 29,-3.0 -2,-0.3 2,-0.5 -0.942 11.4-166.0-103.2 127.9 23.8 41.5 27.9 166 166 A V E -fg 62 194B 0 -105,-2.7 -103,-3.0 -2,-0.5 2,-0.7 -0.972 10.7-160.7-118.2 116.5 25.8 43.4 30.5 167 167 A F E -fg 63 195B 0 27,-2.8 29,-2.8 -2,-0.5 2,-0.6 -0.894 20.4-151.4 -86.0 117.2 25.1 47.1 31.2 168 168 A V E - g 0 196B 0 -105,-2.8 29,-0.2 -2,-0.7 27,-0.1 -0.836 66.5 -21.8 -97.4 117.4 28.3 48.3 32.9 169 169 A N S S+ 0 0 1 27,-2.6 -1,-0.2 -2,-0.6 3,-0.1 0.854 91.5 132.8 60.6 41.1 27.9 51.2 35.3 170 170 A S > + 0 0 1 -3,-0.3 3,-1.8 26,-0.1 4,-0.3 0.606 44.6 85.3 -97.2 -17.4 24.6 52.4 33.9 171 171 A G G > S+ 0 0 4 1,-0.3 3,-1.5 2,-0.2 -1,-0.1 0.811 79.2 67.2 -56.0 -32.3 22.7 52.8 37.2 172 172 A A G 3 S+ 0 0 9 1,-0.3 -1,-0.3 -3,-0.1 81,-0.2 0.677 98.9 51.0 -64.5 -20.7 24.1 56.3 37.6 173 173 A Y G < S+ 0 0 9 -3,-1.8 2,-0.4 79,-0.1 -1,-0.3 0.515 103.1 74.8 -90.8 -6.6 22.1 57.5 34.6 174 174 A L < - 0 0 0 -3,-1.5 2,-0.1 -4,-0.3 76,-0.1 -0.870 69.1-134.6-121.8 138.3 18.7 56.1 35.8 175 175 A T > - 0 0 38 -2,-0.4 4,-2.0 1,-0.1 5,-0.2 -0.375 38.7-105.2 -73.8 164.8 16.1 57.0 38.4 176 176 A K H > S+ 0 0 78 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.910 122.9 51.5 -58.5 -45.4 14.7 54.1 40.6 177 177 A D H > S+ 0 0 107 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.869 108.8 53.3 -59.7 -37.0 11.4 54.1 38.6 178 178 A E H > S+ 0 0 44 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.901 106.7 49.5 -66.4 -43.0 13.4 53.8 35.4 179 179 A V H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.921 111.2 51.3 -61.2 -43.4 15.4 50.8 36.6 180 180 A I H X S+ 0 0 57 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.934 110.3 48.1 -58.0 -49.2 12.2 49.1 37.6 181 181 A K H X S+ 0 0 107 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.901 112.3 49.3 -59.0 -44.4 10.6 49.8 34.1 182 182 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.914 111.4 48.8 -60.2 -44.9 13.8 48.5 32.4 183 183 A C H X S+ 0 0 25 -4,-2.7 4,-2.5 2,-0.2 -165,-0.2 0.872 110.4 51.1 -64.7 -37.0 13.7 45.3 34.5 184 184 A E H X S+ 0 0 107 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.916 112.3 46.7 -65.4 -42.8 10.0 44.8 33.8 185 185 A Y H X S+ 0 0 69 -4,-2.3 4,-0.7 2,-0.2 -2,-0.2 0.889 111.7 51.3 -63.5 -43.2 10.7 45.1 30.1 186 186 A I H >X S+ 0 0 0 -4,-2.7 3,-1.3 1,-0.2 4,-0.6 0.923 104.8 56.6 -59.5 -46.2 13.7 42.7 30.4 187 187 A N H >< S+ 0 0 79 -4,-2.5 3,-0.8 1,-0.3 -1,-0.2 0.855 101.5 58.3 -53.9 -36.9 11.5 40.2 32.1 188 188 A L H 3< S+ 0 0 130 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.735 105.6 48.8 -64.2 -27.1 9.1 40.2 29.1 189 189 A M H << S- 0 0 16 -3,-1.3 2,-1.0 -4,-0.7 -1,-0.2 0.419 95.6-142.0-102.2 0.5 11.9 39.2 26.7 190 190 A Q << + 0 0 131 -3,-0.8 -173,-0.5 -4,-0.6 -3,-0.1 -0.008 57.2 117.4 76.9 -29.5 13.3 36.2 28.8 191 191 A K S S- 0 0 34 -2,-1.0 2,-0.3 -5,-0.2 -2,-0.1 -0.333 71.9 -94.3 -78.0 156.3 17.0 36.6 28.2 192 192 A S - 0 0 7 -29,-0.5 -27,-1.9 -177,-0.1 2,-0.4 -0.496 40.2-179.2 -76.2 129.7 19.6 37.3 30.9 193 193 A V E -dg 18 165B 0 -176,-3.0 -174,-2.6 -2,-0.3 2,-0.5 -0.999 8.7-160.2-127.8 130.9 20.6 40.9 31.5 194 194 A L E -dg 19 166B 0 -29,-3.0 -27,-2.8 -2,-0.4 2,-0.7 -0.953 8.4-158.9-113.1 125.9 23.2 42.0 34.1 195 195 A F E -dg 20 167B 0 -176,-2.8 -174,-2.7 -2,-0.5 2,-0.8 -0.929 16.1-158.7 -96.3 112.2 23.5 45.5 35.6 196 196 A L E -dg 21 168B 0 -29,-2.8 -27,-2.6 -2,-0.7 -174,-0.2 -0.847 18.5-178.6-100.0 107.4 27.1 45.6 36.9 197 197 A E E -d 22 0B 6 -176,-2.7 -174,-2.8 -2,-0.8 4,-0.1 -0.786 36.4-154.3-116.9 145.7 27.3 48.4 39.5 198 198 A P S S+ 0 0 8 0, 0.0 2,-0.3 0, 0.0 -176,-0.1 0.542 89.3 27.9 -89.1 -11.1 30.0 49.9 41.7 199 199 A R S S- 0 0 132 -174,-0.0 -176,-0.1 9,-0.0 -28,-0.1 -0.954 105.2 -72.3-145.0 158.4 27.5 51.0 44.3 200 200 A R - 0 0 98 -2,-0.3 2,-1.3 1,-0.1 3,-0.1 -0.251 42.2-130.8 -56.5 133.2 24.1 49.9 45.5 201 201 A L > - 0 0 7 3,-0.1 3,-1.6 -4,-0.1 -1,-0.1 -0.729 58.8 -72.8 -92.0 91.8 21.4 50.6 42.9 202 202 A Y T 3 S- 0 0 87 -2,-1.3 -27,-0.0 1,-0.2 -31,-0.0 -0.252 87.0 -50.9 50.5-140.9 18.8 52.3 45.2 203 203 A D T 3 S+ 0 0 75 -3,-0.1 -1,-0.2 15,-0.1 3,-0.1 -0.044 94.2 138.3-112.0 28.7 17.1 49.6 47.4 204 204 A L S < S- 0 0 18 -3,-1.6 15,-0.7 1,-0.1 2,-0.2 -0.343 70.8 -83.4 -70.6 153.2 16.2 47.3 44.5 205 205 A P S S+ 0 0 81 0, 0.0 -185,-0.3 0, 0.0 2,-0.3 -0.437 73.8 149.5 -56.4 122.7 16.7 43.5 45.0 206 206 A Q - 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0 0 59 -12,-1.5 2,-1.9 -2,-1.0 -1,-0.2 0.879 68.6 -0.8 -45.6-109.7 20.1 43.0 49.7 219 219 A N T 3 S+ 0 0 89 -15,-0.7 2,-0.4 -13,-0.1 -1,-0.2 -0.207 104.1 134.6 -81.1 50.2 16.3 43.5 49.2 220 220 A M < - 0 0 67 -2,-1.9 -3,-0.1 -3,-1.0 2,-0.0 -0.830 63.6-103.2-110.1 140.4 16.0 39.8 48.5 221 221 A V 0 0 150 -2,-0.4 -1,-0.1 1,-0.1 -2,-0.0 -0.305 360.0 360.0 -61.5 132.3 13.4 37.3 49.8 222 222 A L 0 0 221 -2,-0.0 -1,-0.1 0, 0.0 -2,-0.0 0.899 360.0 360.0 -79.9 360.0 14.8 35.1 52.6 223 !* 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 0.0 224 1 B M 0 0 77 0, 0.0 14,-0.4 0, 0.0 186,-0.0 0.000 360.0 360.0 360.0 3.1 41.3 77.3 28.6 225 2 B V - 0 0 11 12,-0.1 13,-2.1 1,-0.1 2,-0.3 0.855 360.0-149.4 40.7 125.5 37.6 76.4 27.8 226 3 B K E -I 237 0C 109 42,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.889 6.1-140.2-120.3 150.3 34.6 77.2 30.1 227 4 B I E +I 236 0C 19 9,-2.6 9,-3.1 -2,-0.3 2,-0.3 -0.922 21.5 171.0-116.1 135.5 31.3 75.3 30.6 228 5 B N + 0 0 92 -2,-0.4 5,-0.1 7,-0.2 3,-0.0 -0.995 4.2 158.0-140.2 145.8 27.8 76.7 31.0 229 6 B F > - 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0 0 48 -201,-0.1 -4,-3.1 2,-0.0 2,-0.4 -0.806 47.1-126.1-101.8 142.2 24.1 74.6 44.6 434 215 B L B N 428 0D 93 -2,-0.4 -6,-0.2 -6,-0.2 -8,-0.0 -0.741 360.0 360.0 -93.3 128.1 27.8 74.8 43.6 435 216 B I 0 0 103 -8,-2.4 -8,-2.0 -2,-0.4 -10,-0.1 -0.960 360.0 360.0-114.7 360.0 30.5 73.8 46.1