==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-SEP-12 4HB7 . COMPND 2 MOLECULE: DIHYDROPTEROATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR M.E.CUFF,J.HOLOWICKI,R.JEDRZEJCZAK,T.C.TERWILLIGER,E.J.RUBIN . 506 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21348.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 371 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 14.2 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 . 36 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 197 38.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.0 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 2 0 2 3 2 1 0 0 0 3 3 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 6 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 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 0 0 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 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 2 A T 0 0 145 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 151.8 30.9 9.9 6.7 2 3 A K - 0 0 105 1,-0.1 2,-0.4 3,-0.0 239,-0.1 -0.164 360.0-101.5 -54.6 146.6 27.7 8.3 7.7 3 4 A T - 0 0 8 237,-0.2 2,-0.3 234,-0.1 224,-0.2 -0.669 44.9-122.5 -62.0 129.4 27.2 4.7 7.9 4 5 A K E -a 227 0A 50 222,-2.6 224,-2.1 -2,-0.4 2,-0.6 -0.616 16.2-144.6 -84.0 131.8 25.3 3.7 4.7 5 6 A I E -a 228 0A 3 25,-0.3 27,-3.0 -2,-0.3 28,-2.0 -0.925 12.3-163.2 -99.7 115.2 22.0 1.9 5.2 6 7 A M E -ab 229 33A 2 222,-3.1 224,-2.8 -2,-0.6 28,-0.2 -0.902 6.5-156.4 -99.8 111.0 21.3 -0.7 2.5 7 8 A G E -ab 230 34A 0 26,-2.6 28,-3.2 -2,-0.6 2,-0.5 -0.514 16.7-120.6 -83.8 155.1 17.7 -1.8 2.3 8 9 A I E - b 0 35A 16 222,-1.0 2,-0.5 26,-0.2 28,-0.2 -0.853 25.8-178.2 -99.6 121.4 16.7 -5.1 0.8 9 10 A L E - b 0 36A 9 26,-3.2 28,-1.9 -2,-0.5 2,-0.4 -0.899 9.2-166.3-119.4 100.2 14.4 -5.2 -2.3 10 11 A N E - b 0 37A 102 -2,-0.5 28,-0.2 26,-0.2 26,-0.1 -0.700 10.1-177.6 -87.5 137.8 13.6 -8.8 -3.3 11 12 A V 0 0 18 26,-2.5 27,-0.2 -2,-0.4 -1,-0.1 0.268 360.0 360.0-117.6 9.4 12.1 -9.1 -6.7 12 13 A T 0 0 110 25,-0.5 27,-0.1 45,-0.0 -2,-0.0 -0.234 360.0 360.0 -56.2 360.0 11.5 -12.9 -6.9 13 ! 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 14 24 A N > 0 0 159 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 -16.6 1.9 -4.5 -10.6 15 25 A N H > + 0 0 126 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.896 360.0 48.0 -52.8 -46.2 5.3 -5.9 -9.5 16 26 A V H > S+ 0 0 48 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.920 113.4 48.5 -62.7 -41.5 7.1 -2.9 -10.9 17 27 A E H > S+ 0 0 101 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.930 110.2 50.2 -63.3 -46.3 4.6 -0.5 -9.2 18 28 A T H X S+ 0 0 77 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.894 112.1 48.9 -57.0 -42.9 4.9 -2.3 -5.9 19 29 A A H X S+ 0 0 9 -4,-2.1 4,-2.7 -5,-0.3 -2,-0.2 0.883 107.9 52.9 -68.9 -38.6 8.7 -2.1 -6.1 20 30 A I H X S+ 0 0 24 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.959 112.2 46.9 -59.0 -47.7 8.6 1.6 -7.0 21 31 A N H X S+ 0 0 99 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.903 112.0 49.6 -62.6 -42.1 6.5 2.2 -3.8 22 32 A R H X S+ 0 0 82 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.914 110.4 50.3 -62.8 -42.2 8.7 0.1 -1.7 23 33 A V H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.943 110.2 49.9 -63.8 -43.9 11.8 2.0 -2.9 24 34 A K H X S+ 0 0 108 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.919 112.1 48.2 -59.9 -43.8 10.2 5.4 -2.2 25 35 A A H X S+ 0 0 36 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.921 109.6 52.4 -60.6 -44.5 9.2 4.2 1.3 26 36 A M H <>S+ 0 0 0 -4,-2.6 5,-2.9 2,-0.2 4,-0.4 0.898 108.3 51.1 -63.1 -35.6 12.8 2.9 2.0 27 37 A I H ><5S+ 0 0 52 -4,-2.1 3,-1.4 3,-0.2 -1,-0.2 0.941 110.0 49.6 -63.9 -43.5 14.2 6.3 0.9 28 38 A D H 3<5S+ 0 0 144 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.850 107.8 54.8 -65.4 -32.3 11.8 8.0 3.4 29 39 A E T 3<5S- 0 0 48 -4,-2.4 -1,-0.3 -5,-0.1 208,-0.2 0.476 130.4 -90.5 -79.6 -5.5 12.9 5.6 6.1 30 40 A G T < 5 + 0 0 25 -3,-1.4 -25,-0.3 -4,-0.4 -3,-0.2 0.521 67.3 157.9 111.8 11.8 16.6 6.5 5.6 31 41 A A < - 0 0 9 -5,-2.9 -1,-0.2 -6,-0.2 -25,-0.2 -0.427 19.8-177.7 -67.5 138.3 18.0 4.1 3.0 32 42 A D S S+ 0 0 36 -27,-3.0 38,-2.5 1,-0.3 2,-0.3 0.635 75.8 26.5 -97.5 -29.0 21.2 5.3 1.1 33 43 A I E -bc 6 70A 3 -28,-2.0 -26,-2.6 36,-0.2 2,-0.5 -0.983 66.2-148.6-136.7 142.3 21.3 2.1 -1.1 34 44 A I E -bc 7 71A 0 36,-2.3 38,-3.2 -2,-0.3 2,-0.8 -0.985 12.7-150.9-110.4 122.3 18.7 -0.3 -2.4 35 45 A D E -bc 8 72A 0 -28,-3.2 -26,-3.2 -2,-0.5 2,-0.5 -0.843 17.1-166.8 -95.9 104.6 19.9 -3.9 -2.9 36 46 A V E +bc 9 73A 0 36,-3.4 38,-3.1 -2,-0.8 2,-0.3 -0.834 16.7 157.7 -94.8 123.9 17.8 -5.4 -5.7 37 47 A G E +bc 10 74A 5 -28,-1.9 -26,-2.5 -2,-0.5 -25,-0.5 -1.000 35.8 179.3-149.9 149.3 17.9 -9.1 -6.2 38 48 A G S S+ 0 0 0 36,-0.5 2,-0.3 -2,-0.3 37,-0.1 0.228 71.4 63.0-118.6 13.1 16.2 -12.1 -7.7 39 49 A V - 0 0 19 35,-0.4 2,-0.3 -27,-0.1 -1,-0.1 -0.999 55.3-158.7-148.4 140.8 18.6 -15.0 -6.9 40 50 A S - 0 0 46 6,-0.4 8,-0.2 -2,-0.3 4,-0.1 -0.863 15.8-163.0-121.5 151.8 20.2 -16.7 -3.9 41 51 A T + 0 0 14 -2,-0.3 3,-0.1 2,-0.1 -1,-0.1 0.278 56.5 122.5-110.2 -0.0 23.4 -18.9 -3.5 42 52 A R S > S- 0 0 153 1,-0.1 3,-1.8 2,-0.1 -2,-0.1 -0.452 82.0 -90.4 -58.2 134.5 22.1 -20.3 -0.2 43 53 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.274 117.5 24.9 -43.5 131.4 21.9 -24.1 -0.4 44 54 A G T 3 S+ 0 0 85 1,-0.2 3,-0.1 -3,-0.1 -2,-0.1 0.579 87.9 159.3 79.7 10.0 18.4 -25.1 -1.7 45 55 A H < - 0 0 83 -3,-1.8 -1,-0.2 1,-0.1 2,-0.1 -0.223 53.9 -91.1 -52.6 148.1 17.9 -21.8 -3.4 46 56 A E - 0 0 102 1,-0.1 2,-0.7 2,-0.0 -6,-0.4 -0.435 44.1-113.8 -52.4 138.8 15.3 -21.7 -6.3 47 57 A M - 0 0 167 -3,-0.1 2,-0.5 -2,-0.1 -1,-0.1 -0.757 42.9-179.4 -83.7 113.4 17.1 -22.5 -9.6 48 58 A V - 0 0 13 -2,-0.7 -10,-0.0 -8,-0.2 2,-0.0 -0.965 15.5-142.3-121.9 119.4 16.8 -19.2 -11.6 49 59 A T > - 0 0 73 -2,-0.5 4,-2.9 1,-0.1 5,-0.2 -0.288 27.7-104.7 -75.0 167.7 18.2 -19.1 -15.1 50 60 A L H > S+ 0 0 53 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.905 122.3 50.3 -56.0 -44.4 20.0 -16.1 -16.6 51 61 A E H > S+ 0 0 126 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.917 111.9 46.4 -67.8 -40.2 16.9 -15.3 -18.7 52 62 A E H > S+ 0 0 62 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.891 111.7 52.0 -65.0 -41.1 14.6 -15.5 -15.7 53 63 A E H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 5,-0.3 0.953 112.2 45.5 -59.8 -49.8 17.0 -13.3 -13.6 54 64 A L H X S+ 0 0 28 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.915 111.5 54.3 -56.5 -48.4 17.1 -10.7 -16.4 55 65 A N H < S+ 0 0 109 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.864 116.0 36.8 -53.4 -40.0 13.2 -10.9 -16.8 56 66 A R H X S+ 0 0 56 -4,-2.0 4,-0.5 -3,-0.2 -2,-0.2 0.823 122.2 40.7 -85.0 -34.7 12.7 -10.2 -13.0 57 67 A V H X S+ 0 0 0 -4,-2.6 4,-2.8 -5,-0.2 5,-0.2 0.905 103.8 60.7 -86.1 -43.5 15.4 -7.7 -12.3 58 68 A L H X S+ 0 0 48 -4,-2.0 4,-2.6 -5,-0.3 5,-0.2 0.866 101.1 50.6 -59.9 -41.3 15.4 -5.4 -15.4 59 69 A P H > S+ 0 0 57 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.928 115.6 45.5 -66.7 -33.5 11.9 -4.0 -15.3 60 70 A V H X S+ 0 0 8 -4,-0.5 4,-1.3 2,-0.2 -2,-0.2 0.945 114.3 46.4 -66.1 -50.7 12.5 -3.1 -11.6 61 71 A V H >X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 3,-0.5 0.904 109.7 54.7 -59.5 -43.8 15.9 -1.6 -12.1 62 72 A E H 3< S+ 0 0 131 -4,-2.6 4,-0.3 -5,-0.2 -1,-0.2 0.877 111.0 46.1 -57.0 -40.6 14.7 0.4 -15.1 63 73 A A H 3< S+ 0 0 31 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.697 120.6 35.3 -76.1 -22.8 11.9 2.0 -13.0 64 74 A I H X< S+ 0 0 0 -4,-1.3 3,-1.9 -3,-0.5 -2,-0.2 0.620 88.0 88.1-110.7 -10.9 14.0 2.8 -9.9 65 75 A V T 3< S+ 0 0 34 -4,-2.0 4,-0.2 1,-0.3 -3,-0.1 0.777 83.0 63.1 -68.2 -24.2 17.4 3.9 -11.1 66 76 A G T 3 S+ 0 0 73 -4,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.541 82.6 102.3 -74.8 -6.8 16.3 7.5 -11.5 67 77 A F S < S- 0 0 56 -3,-1.9 2,-2.1 1,-0.1 4,-0.1 -0.423 88.9-104.7 -77.7 158.3 15.6 8.0 -7.8 68 78 A D S S+ 0 0 166 -2,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.508 91.8 87.0 -84.7 70.1 18.0 9.8 -5.5 69 79 A V S S- 0 0 15 -2,-2.1 2,-0.3 -4,-0.2 -36,-0.2 -0.960 84.2-100.5-155.7 153.0 19.4 6.7 -3.9 70 80 A K E -c 33 0A 58 -38,-2.5 -36,-2.3 -2,-0.3 2,-0.5 -0.614 32.4-145.1 -77.6 141.1 22.1 4.3 -4.9 71 81 A I E -c 34 0A 0 -2,-0.3 20,-1.8 -38,-0.2 19,-1.7 -0.951 14.0-172.3-111.2 122.1 21.0 1.1 -6.5 72 82 A S E -cd 35 91A 0 -38,-3.2 -36,-3.4 -2,-0.5 2,-0.6 -0.939 12.0-150.4-104.4 130.7 23.0 -2.1 -5.9 73 83 A V E -cd 36 92A 0 18,-2.5 20,-2.7 -2,-0.4 2,-1.1 -0.927 8.8-143.5-105.5 122.3 22.1 -5.2 -7.9 74 84 A D E +cd 37 93A 6 -38,-3.1 -36,-0.5 -2,-0.6 -35,-0.4 -0.703 50.9 126.7 -84.5 95.4 22.6 -8.5 -6.1 75 85 A T - 0 0 0 -2,-1.1 21,-0.1 18,-1.1 -2,-0.1 -0.993 49.6-160.8-151.4 151.3 23.9 -10.8 -8.9 76 86 A F S S+ 0 0 14 -2,-0.3 2,-0.6 18,-0.2 25,-0.2 0.298 71.2 93.5-111.9 2.1 26.8 -13.1 -9.7 77 87 A R > - 0 0 27 1,-0.1 4,-2.5 23,-0.1 3,-0.4 -0.883 64.5-150.4-106.4 122.4 26.2 -13.0 -13.5 78 88 A S H > S+ 0 0 4 -2,-0.6 4,-2.7 1,-0.2 5,-0.1 0.782 96.7 57.3 -65.6 -28.6 28.1 -10.5 -15.6 79 89 A E H > S+ 0 0 68 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.897 109.1 46.0 -69.6 -37.9 25.4 -10.3 -18.2 80 90 A V H > S+ 0 0 0 -3,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.936 113.5 49.6 -65.3 -47.2 22.9 -9.3 -15.5 81 91 A A H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.924 110.5 49.8 -61.2 -44.8 25.3 -6.8 -14.1 82 92 A E H X S+ 0 0 42 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.928 109.1 51.1 -59.2 -47.0 26.1 -5.3 -17.6 83 93 A A H X S+ 0 0 27 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.903 115.2 43.5 -58.5 -40.0 22.4 -4.8 -18.4 84 94 A C H X>S+ 0 0 0 -4,-2.1 5,-1.8 2,-0.2 4,-0.6 0.898 111.6 52.6 -71.5 -43.9 21.8 -3.1 -15.1 85 95 A L H ><5S+ 0 0 9 -4,-2.9 3,-1.0 1,-0.2 -2,-0.2 0.873 104.5 56.9 -60.9 -36.0 25.0 -1.0 -15.3 86 96 A K H 3<5S+ 0 0 143 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.861 105.6 52.6 -59.2 -34.4 23.8 0.2 -18.8 87 97 A L H 3<5S- 0 0 58 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.530 128.7 -96.0 -78.7 -14.0 20.7 1.4 -17.0 88 98 A G T <<5 + 0 0 41 -3,-1.0 -3,-0.2 -4,-0.6 -17,-0.2 0.562 63.9 158.6 115.3 11.7 22.6 3.4 -14.5 89 99 A V < - 0 0 8 -5,-1.8 -1,-0.2 -8,-0.1 -17,-0.1 -0.314 31.6-147.5 -68.6 156.9 23.0 1.3 -11.3 90 100 A D + 0 0 58 -19,-1.7 24,-2.4 1,-0.2 2,-0.3 0.734 66.9 24.6 -97.2 -30.8 25.8 2.1 -9.0 91 101 A M E -de 72 114A 1 -20,-1.8 -18,-2.5 22,-0.2 2,-0.5 -0.986 53.7-145.9-142.5 149.0 26.9 -1.1 -7.4 92 102 A I E -de 73 115A 0 22,-2.1 24,-2.7 -2,-0.3 2,-0.8 -0.988 12.8-157.5-113.7 128.7 27.0 -4.9 -8.0 93 103 A N E -de 74 116A 1 -20,-2.7 -18,-1.1 -2,-0.5 2,-0.8 -0.899 14.5-168.9-107.0 97.4 26.7 -7.1 -5.0 94 104 A D E > - e 0 117A 0 22,-2.4 3,-2.1 -2,-0.8 24,-1.7 -0.828 16.6-164.1-100.6 108.3 28.3 -10.4 -6.0 95 105 A Q T 3 S+ 0 0 16 -2,-0.8 -1,-0.1 1,-0.3 -19,-0.1 0.591 93.5 50.5 -65.2 -12.7 27.6 -13.3 -3.6 96 106 A W T > S- 0 0 67 -21,-0.1 3,-2.5 24,-0.1 -1,-0.3 0.301 105.9-125.6-107.9 9.1 30.5 -15.2 -5.3 97 107 A A T < S- 0 0 2 -3,-2.1 20,-0.1 1,-0.3 -2,-0.1 0.813 72.6 -55.3 51.8 36.4 33.1 -12.4 -5.1 98 108 A G T 3 S+ 0 0 2 1,-0.0 -1,-0.3 45,-0.0 6,-0.2 0.477 117.5 111.9 80.0 1.7 33.7 -12.7 -8.9 99 109 A L S < S+ 0 0 111 -3,-2.5 3,-0.2 1,-0.2 -2,-0.1 0.709 72.0 53.1 -77.4 -27.3 34.4 -16.4 -8.6 100 110 A Y S S+ 0 0 123 1,-0.3 2,-0.4 -4,-0.1 -1,-0.2 0.898 126.8 15.3 -73.0 -42.4 31.3 -17.5 -10.5 101 111 A D > - 0 0 13 -25,-0.2 3,-1.9 1,-0.1 4,-0.3 -0.919 64.6-163.4-133.7 107.8 31.9 -15.3 -13.6 102 112 A H T >> S+ 0 0 109 -2,-0.4 3,-0.9 1,-0.3 4,-0.5 0.784 86.0 71.3 -72.0 -15.8 35.4 -13.8 -14.0 103 113 A R H 3> S+ 0 0 115 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.648 75.9 86.7 -66.6 -14.1 34.1 -11.2 -16.5 104 114 A M H <> S+ 0 0 0 -3,-1.9 4,-2.7 1,-0.2 5,-0.2 0.911 85.9 50.8 -55.6 -40.7 32.3 -9.5 -13.6 105 115 A F H <> S+ 0 0 1 -3,-0.9 4,-2.3 -4,-0.3 -1,-0.2 0.920 109.7 47.5 -63.8 -50.2 35.4 -7.4 -12.7 106 116 A Q H X S+ 0 0 117 -4,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.859 114.1 50.4 -55.7 -42.9 36.0 -6.1 -16.3 107 117 A I H X S+ 0 0 17 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.939 110.2 46.9 -63.5 -50.0 32.3 -5.2 -16.6 108 118 A V H <>S+ 0 0 0 -4,-2.7 5,-2.3 1,-0.2 3,-0.3 0.919 114.0 49.0 -62.3 -38.5 32.2 -3.3 -13.3 109 119 A A H ><5S+ 0 0 20 -4,-2.3 3,-1.4 1,-0.2 -1,-0.2 0.870 103.3 61.1 -69.3 -35.6 35.3 -1.4 -14.3 110 120 A K H 3<5S+ 0 0 130 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.803 112.6 37.7 -62.2 -33.1 33.9 -0.6 -17.7 111 121 A Y T 3<5S- 0 0 64 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.264 108.0-123.2-101.8 11.4 31.1 1.3 -16.1 112 122 A D T < 5 + 0 0 132 -3,-1.4 -3,-0.2 1,-0.2 2,-0.1 0.885 63.5 145.0 53.4 40.6 33.2 2.8 -13.2 113 123 A A < - 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0 0 19 -3,-0.1 -1,-0.0 5,-0.0 -3,-0.0 -0.990 33.1-127.6-137.6 154.7 11.0 15.2 17.4 460 215 B T - 0 0 74 -2,-0.3 4,-0.5 1,-0.1 3,-0.3 -0.515 44.6-100.3 -80.3 164.9 8.5 14.3 20.1 461 216 B P S > S+ 0 0 69 0, 0.0 3,-2.0 0, 0.0 -14,-0.1 0.932 124.7 53.3 -53.5 -43.8 10.0 12.5 23.2 462 217 B V G > S+ 0 0 89 1,-0.3 3,-1.8 2,-0.2 4,-0.2 0.849 98.3 64.3 -65.3 -30.0 8.7 9.1 21.8 463 218 B E G 3 S+ 0 0 93 -3,-0.3 3,-0.3 1,-0.3 4,-0.3 0.639 93.1 66.5 -66.1 -9.4 10.4 9.8 18.5 464 219 B R G <> + 0 0 27 -3,-2.0 4,-2.1 -4,-0.5 -17,-0.4 0.348 68.6 98.6 -91.6 6.1 13.7 9.7 20.4 465 220 B D H <> S+ 0 0 8 -3,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.891 80.1 52.1 -66.3 -39.3 13.5 6.0 21.4 466 221 B E H > S+ 0 0 40 -3,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.930 112.4 43.7 -66.7 -43.4 15.8 4.8 18.6 467 222 B V H > S+ 0 0 0 -4,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.853 110.8 57.0 -69.5 -29.0 18.7 7.2 19.4 468 223 B T H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.956 106.2 49.9 -61.3 -45.1 18.1 6.4 23.1 469 224 B A H X S+ 0 0 2 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.840 104.6 58.0 -64.9 -29.1 18.7 2.8 22.2 470 225 B A H X S+ 0 0 0 -4,-1.6 4,-2.7 2,-0.2 5,-0.3 0.932 105.3 50.1 -62.3 -44.2 21.9 3.9 20.4 471 226 B T H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.867 107.4 55.7 -61.3 -35.1 23.1 5.4 23.7 472 227 B T H X S+ 0 0 2 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.967 111.5 41.9 -58.3 -49.8 22.3 2.1 25.3 473 228 B A H X S+ 0 0 2 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.924 116.7 47.4 -64.5 -47.6 24.5 0.2 22.9 474 229 B Y H X S+ 0 0 1 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.913 112.9 50.0 -60.0 -47.6 27.3 2.7 23.0 475 230 B G H X>S+ 0 0 0 -4,-2.8 5,-2.4 -5,-0.3 4,-0.7 0.925 109.6 49.3 -58.9 -44.0 27.2 2.8 26.7 476 231 B I H ><5S+ 0 0 1 -4,-2.6 3,-1.3 1,-0.2 -1,-0.2 0.920 108.3 54.2 -62.2 -44.2 27.3 -0.9 27.1 477 232 B M H 3<5S+ 0 0 41 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.866 108.4 50.3 -59.7 -30.7 30.3 -1.0 24.8 478 233 B K H 3<5S- 0 0 47 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.604 127.7-102.0 -84.4 -7.5 31.9 1.5 27.1 479 234 B G T <<5 + 0 0 21 -3,-1.3 -38,-0.3 -4,-0.7 -3,-0.2 0.543 63.1 156.8 102.5 13.6 31.1 -0.7 30.1 480 235 B V < - 0 0 2 -5,-2.4 -1,-0.3 1,-0.1 -38,-0.1 -0.417 32.5-149.5 -67.3 149.6 28.1 0.9 31.8 481 236 B R + 0 0 83 -40,-1.9 -222,-2.4 1,-0.2 2,-0.3 0.522 68.6 17.4-102.0 -11.5 26.2 -1.7 33.8 482 237 B A E -ip 259 442B 1 -41,-1.4 -39,-2.5 -224,-0.2 2,-0.4 -0.985 58.5-149.9-156.4 155.2 22.6 -0.5 33.6 483 238 B V E -ip 260 443B 2 -224,-2.2 -222,-3.0 -2,-0.3 2,-0.6 -0.980 11.4-144.5-129.2 137.9 20.4 1.9 31.5 484 239 B R E +i 261 0B 38 -41,-2.4 -38,-0.8 -2,-0.4 -39,-0.4 -0.948 37.4 165.1-103.1 116.8 17.4 3.8 32.7 485 240 B V E -i 262 0B 2 -224,-2.5 -222,-1.2 -2,-0.6 3,-0.1 -0.934 48.4-146.6-142.9 151.0 14.8 4.0 29.9 486 241 B H S S+ 0 0 55 -2,-0.3 2,-1.2 1,-0.2 -1,-0.1 0.910 98.3 57.6 -80.2 -46.4 11.2 4.7 28.9 487 242 B N > + 0 0 42 1,-0.2 4,-1.7 2,-0.1 5,-0.2 -0.707 66.1 174.7 -91.7 92.1 11.0 2.1 26.2 488 243 B V H > S+ 0 0 0 -2,-1.2 4,-3.0 1,-0.2 5,-0.3 0.945 72.1 51.8 -68.4 -45.6 11.9 -1.1 28.1 489 244 B E H > S+ 0 0 79 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.912 109.9 46.7 -58.9 -47.5 11.3 -3.6 25.3 490 245 B L H > S+ 0 0 17 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.936 118.2 42.3 -63.2 -49.3 13.5 -1.9 22.7 491 246 B N H X S+ 0 0 0 -4,-1.7 4,-3.3 2,-0.2 5,-0.2 0.893 112.8 52.5 -64.6 -39.1 16.4 -1.4 25.1 492 247 B A H X S+ 0 0 13 -4,-3.0 4,-2.0 -5,-0.2 -2,-0.2 0.909 113.7 43.0 -62.2 -43.3 16.1 -4.8 26.7 493 248 B K H X S+ 0 0 46 -4,-2.3 4,-1.8 -5,-0.3 -2,-0.2 0.938 117.4 46.3 -75.5 -40.8 16.2 -6.6 23.3 494 249 B L H X S+ 0 0 2 -4,-2.3 4,-2.3 -5,-0.3 -2,-0.2 0.916 112.9 48.6 -63.8 -44.9 19.0 -4.4 22.0 495 250 B A H X S+ 0 0 2 -4,-3.3 4,-3.0 2,-0.2 5,-0.2 0.856 107.0 57.0 -66.0 -34.6 21.1 -4.7 25.2 496 251 B K H X S+ 0 0 75 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.942 109.4 47.1 -58.3 -42.2 20.6 -8.5 25.1 497 252 B G H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.904 113.1 45.4 -65.8 -47.9 22.1 -8.4 21.6 498 253 B I H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.911 112.0 53.0 -63.7 -42.7 25.1 -6.1 22.6 499 254 B D H X S+ 0 0 31 -4,-3.0 4,-2.6 1,-0.2 5,-0.2 0.931 110.0 49.6 -55.8 -44.6 25.7 -8.2 25.7 500 255 B F H X S+ 0 0 68 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.913 111.1 48.5 -61.8 -45.9 25.8 -11.3 23.5 501 256 B L H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.894 112.7 47.5 -66.0 -41.5 28.3 -9.7 21.0 502 257 B K H X S+ 0 0 53 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.909 112.9 47.2 -64.6 -43.4 30.6 -8.6 23.8 503 258 B E H X S+ 0 0 122 -4,-2.6 4,-3.2 -5,-0.2 5,-0.2 0.918 112.5 50.9 -61.7 -44.7 30.6 -11.9 25.5 504 259 B N H X S+ 0 0 12 -4,-2.6 4,-1.4 -5,-0.2 -2,-0.2 0.935 111.8 47.2 -55.8 -46.8 31.2 -13.6 22.2 505 260 B E H < S+ 0 0 38 -4,-2.3 4,-0.5 2,-0.2 3,-0.3 0.929 114.0 47.3 -61.7 -45.7 34.1 -11.3 21.4 506 261 B N H >< S+ 0 0 115 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.934 110.1 51.9 -64.0 -47.4 35.6 -11.8 24.9 507 262 B A H 3< S+ 0 0 69 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.773 110.6 49.8 -56.6 -31.3 35.3 -15.5 24.8 508 263 B R T 3< 0 0 71 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.395 360.0 360.0 -98.4 -0.3 37.1 -15.6 21.5 509 264 B H < 0 0 134 -3,-1.3 -2,-0.2 -4,-0.5 -3,-0.2 0.540 360.0 360.0-120.1 360.0 40.0 -13.5 22.5