==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 25-AUG-04 1XAH . COMPND 2 MOLECULE: 3-DEHYDROQUINATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR C.E.NICHOLS,J.REN,K.LESLIE,B.DHALIWAL,M.LOCKYER,I.CHARLES, . 653 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27200.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 516 79.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 5.8 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 50 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 248 38.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.9 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 3 0 3 0 0 0 3 5 2 4 0 0 0 0 4 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 2 2 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 PARALLEL BRIDGES PER LADDER . 4 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 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 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 0 110 0, 0.0 15,-3.2 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 126.8 71.6 41.7 22.5 2 2 A K E -A 15 0A 111 13,-0.2 13,-0.2 11,-0.0 2,-0.2 -0.945 360.0-174.9-113.0 116.2 70.5 43.0 19.1 3 3 A L E -A 14 0A 22 11,-2.4 11,-2.9 -2,-0.6 2,-0.3 -0.608 5.8-163.6-101.3 167.1 72.4 41.7 16.1 4 4 A Q E -A 13 0A 101 9,-0.3 2,-0.1 -2,-0.2 147,-0.0 -0.963 21.0-113.5-157.2 136.4 71.9 43.0 12.5 5 5 A T - 0 0 3 7,-2.2 2,-0.2 -2,-0.3 6,-0.1 -0.369 19.0-150.9 -68.4 147.1 72.6 41.9 9.0 6 6 A T + 0 0 106 211,-0.2 -1,-0.1 5,-0.1 4,-0.0 -0.460 38.0 145.1-118.9 59.2 75.1 44.1 7.0 7 7 A Y - 0 0 17 -2,-0.2 4,-0.1 1,-0.1 3,-0.1 -0.546 69.3-100.2 -88.8 161.7 74.1 43.6 3.4 8 8 A P S S- 0 0 135 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.623 103.0 -14.2 -57.3 -10.3 74.4 46.5 0.9 9 9 A S S S+ 0 0 65 1,-0.1 -2,-0.1 0, 0.0 -3,-0.0 -0.951 114.5 48.1-179.1 166.0 70.6 46.9 1.6 10 10 A N + 0 0 116 -2,-0.3 2,-0.2 1,-0.1 -1,-0.1 0.971 68.8 168.1 52.0 66.0 67.5 45.3 3.0 11 11 A N - 0 0 59 -4,-0.1 -1,-0.1 -6,-0.1 -5,-0.1 -0.678 20.7-147.1-105.2 160.9 69.0 44.2 6.3 12 12 A Y - 0 0 1 -2,-0.2 -7,-2.2 139,-0.0 139,-0.2 -0.962 11.0-122.0-133.8 149.1 67.2 42.9 9.4 13 13 A P E -A 4 0A 9 0, 0.0 139,-2.2 0, 0.0 2,-0.3 -0.446 14.7-151.5 -81.7 160.7 67.7 43.1 13.2 14 14 A I E -Ab 3 152A 0 -11,-2.9 -11,-2.4 137,-0.2 2,-0.9 -0.803 7.6-161.4-136.5 90.4 68.1 40.0 15.4 15 15 A Y E +Ab 2 153A 28 137,-2.4 139,-2.3 -2,-0.3 2,-0.7 -0.629 11.8 179.6 -78.1 102.7 66.8 40.5 18.9 16 16 A V E + b 0 154A 9 -15,-3.2 2,-0.3 -2,-0.9 139,-0.2 -0.854 31.6 103.8-107.4 102.8 68.3 37.8 21.2 17 17 A E E > S- b 0 155A 49 137,-2.4 3,-1.7 -2,-0.7 139,-0.8 -0.986 75.7 -81.4-169.6 160.2 67.2 38.2 24.8 18 18 A H T 3 S+ 0 0 84 -2,-0.3 137,-0.1 1,-0.3 -2,-0.0 -0.583 119.2 14.1 -71.0 113.2 64.9 36.9 27.6 19 19 A G T > S+ 0 0 21 -2,-0.6 3,-1.7 3,-0.0 -1,-0.3 0.555 75.6 141.1 99.3 11.2 61.6 38.6 26.9 20 20 A A G X + 0 0 0 -3,-1.7 3,-1.4 1,-0.3 4,-0.3 0.601 50.1 93.6 -61.0 -10.0 62.2 39.8 23.4 21 21 A I G > S+ 0 0 32 1,-0.3 3,-1.3 2,-0.2 4,-0.4 0.754 72.0 70.6 -54.8 -24.2 58.6 38.9 22.6 22 22 A K G X> S+ 0 0 122 -3,-1.7 3,-1.6 1,-0.3 4,-0.7 0.888 84.3 66.2 -60.0 -43.9 57.8 42.5 23.5 23 23 A Y H <> S+ 0 0 53 -3,-1.4 4,-0.6 1,-0.3 -1,-0.3 0.568 84.7 74.7 -56.4 -14.3 59.4 43.8 20.3 24 24 A I H X> S+ 0 0 12 -3,-1.3 4,-2.3 -4,-0.3 3,-0.7 0.872 92.2 53.1 -70.1 -36.1 56.8 42.1 18.2 25 25 A G H <> S+ 0 0 40 -3,-1.6 4,-1.0 -4,-0.4 -1,-0.2 0.925 97.8 63.9 -63.7 -44.1 54.2 44.7 19.2 26 26 A T H 3< S+ 0 0 91 -4,-0.7 -1,-0.2 1,-0.2 4,-0.2 0.755 113.4 35.6 -50.9 -27.9 56.5 47.6 18.1 27 27 A Y H X< S+ 0 0 29 -3,-0.7 3,-2.6 -4,-0.6 -2,-0.2 0.909 99.2 74.5 -89.8 -56.6 56.2 46.2 14.5 28 28 A L H >< S+ 0 0 50 -4,-2.3 3,-1.0 1,-0.3 -2,-0.2 0.643 87.8 68.4 -30.5 -28.4 52.6 44.9 14.4 29 29 A N T 3< S+ 0 0 142 -4,-1.0 -1,-0.3 1,-0.2 -2,-0.1 0.907 92.5 54.7 -64.9 -44.8 51.5 48.5 14.1 30 30 A Q T < S+ 0 0 103 -3,-2.6 2,-0.4 -4,-0.2 -1,-0.2 0.104 95.2 87.7 -79.3 24.0 52.9 49.1 10.7 31 31 A F < - 0 0 15 -3,-1.0 56,-0.2 1,-0.2 3,-0.1 -0.970 68.1-145.9-125.8 138.7 51.0 46.2 9.2 32 32 A D S S- 0 0 76 54,-2.4 2,-0.3 -2,-0.4 -1,-0.2 0.999 89.7 -4.3 -59.6 -69.1 47.5 46.2 7.8 33 33 A Q - 0 0 34 53,-0.3 55,-1.9 51,-0.1 2,-0.4 -0.792 68.5-153.0-120.7 163.9 46.9 42.6 9.0 34 34 A S E -cd 54 88A 1 19,-3.3 21,-2.9 -2,-0.3 2,-0.7 -0.995 4.6-151.6-140.9 130.2 49.2 40.2 10.7 35 35 A F E -cd 55 89A 0 53,-3.0 55,-2.8 -2,-0.4 2,-1.2 -0.909 6.1-154.6-108.7 114.7 48.9 36.4 10.6 36 36 A L E -cd 56 90A 15 19,-4.5 21,-3.6 -2,-0.7 2,-0.8 -0.760 12.2-169.0 -87.0 97.9 50.3 34.7 13.7 37 37 A L E +cd 57 91A 0 53,-2.3 55,-2.3 -2,-1.2 2,-0.4 -0.825 16.3 177.2 -89.8 113.1 51.1 31.3 12.3 38 38 A I E -cd 58 92A 0 19,-2.2 21,-1.8 -2,-0.8 55,-0.2 -0.960 32.3-102.7-128.1 141.2 51.9 29.2 15.3 39 39 A D E > -c 59 0A 12 53,-1.7 4,-2.8 -2,-0.4 5,-0.2 -0.189 30.9-120.5 -54.3 139.6 52.8 25.5 15.9 40 40 A E H > S+ 0 0 87 19,-1.5 4,-0.9 20,-0.5 -1,-0.1 0.928 114.0 32.1 -46.9 -57.2 50.1 23.2 17.2 41 41 A Y H >> S+ 0 0 135 1,-0.2 4,-1.9 2,-0.2 3,-1.5 0.956 115.0 58.5 -68.1 -52.0 52.0 22.3 20.3 42 42 A V H 3> S+ 0 0 16 1,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.840 101.8 57.6 -47.3 -35.3 53.7 25.6 20.7 43 43 A N H 3X S+ 0 0 20 -4,-2.8 4,-1.8 2,-0.2 -1,-0.3 0.877 104.0 51.5 -65.0 -36.6 50.2 27.1 20.8 44 44 A Q H << S+ 0 0 144 -3,-1.5 4,-0.2 -4,-0.9 -2,-0.2 0.950 113.4 44.8 -61.9 -50.8 49.4 24.9 23.8 45 45 A Y H < S+ 0 0 136 -4,-1.9 -2,-0.2 1,-0.2 3,-0.2 0.908 132.5 15.1 -61.6 -47.4 52.5 26.1 25.6 46 46 A F H >X S+ 0 0 16 -4,-2.7 3,-0.9 -5,-0.2 4,-0.8 0.207 76.4 123.1-121.7 20.7 52.2 29.8 24.9 47 47 A A H 3X S+ 0 0 20 -4,-1.8 4,-1.4 1,-0.3 3,-0.4 0.803 84.3 51.2 -48.8 -30.8 48.7 30.6 23.7 48 48 A N H 34 S+ 0 0 145 -4,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.812 94.7 65.8 -78.8 -33.6 48.6 33.0 26.6 49 49 A K H <4 S+ 0 0 102 -3,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.696 114.9 34.0 -62.9 -14.9 51.8 34.9 25.9 50 50 A F H < 0 0 49 -4,-0.8 -2,-0.2 -3,-0.4 -1,-0.2 0.726 360.0 360.0-110.4 -32.2 50.1 36.2 22.7 51 51 A D < 0 0 153 -4,-1.4 -3,-0.1 0, 0.0 -2,-0.1 0.987 360.0 360.0 -66.1 360.0 46.4 36.6 23.6 52 ! 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 53 58 A N 0 0 149 0, 0.0 -19,-3.3 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 -21.1 44.1 42.8 12.5 54 59 A V E -c 34 0A 81 -21,-0.2 2,-0.4 -19,-0.1 -19,-0.2 -0.951 360.0-173.7-114.7 129.1 46.0 39.9 13.9 55 60 A H E -c 35 0A 45 -21,-2.9 -19,-4.5 -2,-0.5 2,-0.5 -0.956 18.8-135.9-123.5 142.4 44.9 36.3 13.3 56 61 A K E -c 36 0A 74 -2,-0.4 2,-0.6 -21,-0.2 -19,-0.2 -0.838 15.6-168.4 -98.7 130.8 46.2 33.1 14.7 57 62 A V E -c 37 0A 14 -21,-3.6 -19,-2.2 -2,-0.5 2,-0.7 -0.965 11.0-151.5-118.9 109.6 46.7 30.3 12.3 58 63 A I E -c 38 0A 76 -2,-0.6 -19,-0.2 -21,-0.2 -21,-0.1 -0.753 19.8-175.8 -86.7 119.3 47.4 27.0 14.0 59 64 A I E -c 39 0A 4 -21,-1.8 -19,-1.5 -2,-0.7 3,-0.1 -0.654 33.7 -72.8-109.8 165.2 49.5 24.8 11.8 60 65 A P - 0 0 29 0, 0.0 -20,-0.5 0, 0.0 2,-0.3 0.068 59.1 -89.1 -49.9 167.2 50.6 21.1 12.3 61 66 A A S > S- 0 0 4 -22,-0.2 3,-1.9 -21,-0.1 4,-0.1 -0.650 75.6 -42.8 -87.1 136.4 53.4 20.3 14.8 62 67 A G G > S- 0 0 29 -2,-0.3 3,-1.5 1,-0.3 4,-0.3 -0.093 127.2 -2.1 48.9-137.7 57.0 20.3 13.7 63 68 A E G > S+ 0 0 75 1,-0.3 3,-0.8 2,-0.2 -1,-0.3 0.600 114.9 85.5 -60.2 -14.3 57.8 18.8 10.3 64 69 A K G < S+ 0 0 130 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.756 89.1 50.6 -61.2 -24.6 54.1 17.8 9.8 65 70 A T G < S+ 0 0 0 -3,-1.5 2,-2.1 1,-0.2 -1,-0.2 0.698 84.9 87.6 -87.1 -21.9 53.3 21.2 8.4 66 71 A K < + 0 0 4 -3,-0.8 69,-2.4 -4,-0.3 2,-0.3 -0.195 65.0 118.0 -77.2 50.2 56.2 21.3 5.8 67 72 A T S > S- 0 0 50 -2,-2.1 4,-1.1 67,-0.2 69,-0.1 -0.807 74.1-124.4-113.9 155.8 54.1 19.6 3.2 68 73 A F H > S+ 0 0 6 -2,-0.3 4,-1.6 67,-0.3 5,-0.1 0.825 113.6 55.8 -64.6 -32.8 53.0 21.0 -0.2 69 74 A E H > S+ 0 0 103 1,-0.2 4,-2.2 2,-0.2 3,-0.2 0.937 107.1 45.9 -66.1 -49.4 49.4 20.2 0.8 70 75 A Q H > S+ 0 0 24 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.732 108.3 61.2 -66.2 -21.6 49.6 22.3 4.0 71 76 A Y H X S+ 0 0 0 -4,-1.1 4,-1.7 2,-0.2 -1,-0.2 0.904 106.5 43.3 -71.0 -43.4 51.3 25.0 1.8 72 77 A Q H X S+ 0 0 51 -4,-1.6 4,-2.7 -3,-0.2 5,-0.2 0.922 113.8 50.8 -69.2 -44.2 48.2 25.3 -0.4 73 78 A E H X S+ 0 0 119 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.892 112.0 45.3 -61.1 -44.0 45.7 25.3 2.5 74 79 A T H X S+ 0 0 2 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.902 114.5 47.6 -68.9 -41.5 47.4 28.0 4.5 75 80 A L H X S+ 0 0 0 -4,-1.7 4,-3.3 2,-0.2 -2,-0.2 0.944 115.9 46.0 -63.3 -47.4 47.9 30.3 1.5 76 81 A E H X S+ 0 0 24 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.939 113.2 48.5 -59.5 -50.3 44.3 29.7 0.5 77 82 A Y H < S+ 0 0 108 -4,-2.8 4,-0.5 -5,-0.2 -1,-0.2 0.924 116.6 43.0 -57.0 -46.7 43.0 30.3 4.0 78 83 A I H >< S+ 0 0 0 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.920 110.1 55.6 -66.9 -43.8 45.0 33.4 4.4 79 84 A L H >< S+ 0 0 5 -4,-3.3 3,-0.9 1,-0.3 4,-0.4 0.824 97.1 65.7 -57.3 -33.6 44.2 34.7 0.9 80 85 A S T 3< S+ 0 0 56 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.737 86.9 71.0 -60.5 -26.5 40.4 34.4 1.7 81 86 A H T < S- 0 0 45 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.1 0.015 111.7-117.9 -80.7 28.2 41.0 37.2 4.3 82 87 A H < - 0 0 117 -3,-0.9 -2,-0.1 1,-0.1 -3,-0.1 0.865 49.6-174.1 30.5 72.3 41.4 39.7 1.4 83 88 A V - 0 0 22 -4,-0.4 2,-0.3 -5,-0.2 -1,-0.1 -0.261 14.8-140.5 -86.9 175.0 45.0 40.5 2.4 84 89 A T > - 0 0 58 -2,-0.1 3,-0.9 -51,-0.1 -51,-0.1 -0.827 32.8-100.1-130.6 170.5 47.4 43.2 1.1 85 90 A R T 3 S+ 0 0 88 1,-0.3 28,-0.2 -2,-0.3 -2,-0.0 0.614 118.9 67.3 -67.6 -10.2 51.1 43.3 0.3 86 91 A N T 3 S+ 0 0 62 26,-0.1 -54,-2.4 2,-0.1 2,-0.3 -0.195 77.7 115.0-103.1 38.8 51.4 45.2 3.6 87 92 A T < - 0 0 0 -3,-0.9 26,-2.8 -56,-0.2 2,-0.4 -0.824 55.5-143.3-105.4 145.8 50.5 42.0 5.6 88 93 A A E -de 34 113A 0 -55,-1.9 -53,-3.0 -2,-0.3 2,-0.6 -0.887 5.0-149.4-116.4 146.7 52.9 40.3 7.9 89 94 A I E -de 35 114A 0 24,-2.6 26,-2.5 -2,-0.4 2,-0.7 -0.954 15.7-162.0-110.7 113.7 53.4 36.6 8.6 90 95 A I E -de 36 115A 1 -55,-2.8 -53,-2.3 -2,-0.6 2,-0.8 -0.898 6.1-151.5-102.4 118.5 54.6 36.2 12.1 91 96 A A E -de 37 116A 1 24,-3.3 26,-2.7 -2,-0.7 2,-0.8 -0.808 13.7-176.8 -96.4 106.0 56.2 32.8 12.7 92 97 A V E +de 38 117A 0 -55,-2.3 -53,-1.7 -2,-0.8 2,-0.3 -0.868 50.9 36.7-103.0 105.2 55.9 31.5 16.3 93 98 A G E S- e 0 118A 1 24,-2.1 26,-1.5 -2,-0.8 27,-0.4 -0.988 87.8 -37.1 153.9-163.2 57.6 28.2 16.7 94 99 A G S > S- 0 0 11 -2,-0.3 4,-1.6 24,-0.2 23,-0.1 0.331 74.0 -71.5 -77.9-152.5 60.6 26.1 15.8 95 100 A G H > S+ 0 0 18 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.854 127.4 57.0 -74.5 -34.9 62.6 25.7 12.6 96 101 A A H > S+ 0 0 16 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.853 110.9 41.1 -64.7 -40.8 59.8 23.8 10.9 97 102 A T H > S+ 0 0 1 2,-0.2 4,-3.3 1,-0.2 5,-0.5 0.912 113.4 54.7 -75.5 -40.6 57.1 26.5 11.3 98 103 A G H X S+ 0 0 1 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.897 110.6 45.5 -56.6 -44.0 59.6 29.2 10.5 99 104 A D H X S+ 0 0 20 -4,-2.2 34,-1.6 2,-0.2 4,-1.4 0.911 118.7 41.8 -64.7 -47.2 60.5 27.6 7.1 100 105 A F H >X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 3,-0.7 0.975 118.3 43.1 -65.5 -59.8 56.9 26.9 6.3 101 106 A A H 3X S+ 0 0 0 -4,-3.3 4,-3.0 1,-0.3 5,-0.2 0.901 113.7 55.8 -54.0 -39.6 55.5 30.2 7.4 102 107 A G H 3X S+ 0 0 0 -4,-2.0 4,-1.4 -5,-0.5 -1,-0.3 0.824 106.2 48.6 -62.8 -33.6 58.5 31.8 5.7 103 108 A F H < S+ 0 0 2 -4,-1.7 363,-2.4 -3,-0.3 3,-1.9 0.644 88.1 108.7-100.8 -15.6 55.2 33.5 -2.0 108 113 A L B >< S-G 469 0B 0 -4,-2.8 3,-2.4 1,-0.3 361,-0.2 -0.499 110.2 -16.8 -66.3 116.5 52.0 35.3 -0.8 109 114 A L T 3 S- 0 0 26 359,-2.8 -1,-0.3 -2,-0.5 360,-0.2 0.825 128.2 -59.5 54.8 31.9 51.4 38.1 -3.2 110 115 A R T < S- 0 0 33 -3,-1.9 362,-0.3 360,-0.3 -1,-0.3 0.540 121.6 -16.2 73.5 9.8 55.0 37.5 -4.4 111 116 A G < - 0 0 11 -3,-2.4 -5,-0.2 -7,-0.2 2,-0.1 0.249 65.3-171.7 126.1 111.0 56.2 38.3 -0.9 112 117 A V - 0 0 5 -7,-2.5 -24,-0.2 1,-0.2 2,-0.2 -0.357 46.9 -60.6-108.9-169.6 54.7 40.0 2.2 113 118 A H E -e 88 0A 51 -26,-2.8 -24,-2.6 -28,-0.2 2,-0.4 -0.487 51.9-156.9 -77.3 149.6 56.2 41.1 5.5 114 119 A F E -e 89 0A 1 -26,-0.3 36,-3.5 34,-0.2 37,-1.1 -0.925 14.4-173.7-140.1 116.3 57.8 38.5 7.7 115 120 A I E -ef 90 151A 0 -26,-2.5 -24,-3.3 -2,-0.4 2,-0.5 -0.915 15.2-149.7-110.2 123.2 58.5 38.3 11.4 116 121 A Q E +ef 91 152A 7 35,-2.4 37,-3.3 -2,-0.5 -24,-0.1 -0.789 15.6 178.5 -92.2 124.4 60.5 35.4 12.8 117 122 A V E -e 92 0A 0 -26,-2.7 -24,-2.1 -2,-0.5 37,-0.2 -0.705 15.4-166.8-125.0 75.0 59.7 34.4 16.4 118 123 A P E +e 93 0A 1 0, 0.0 37,-0.6 0, 0.0 -24,-0.2 -0.383 14.7 179.1 -66.1 137.5 62.0 31.3 17.0 119 124 A T + 0 0 6 -26,-1.5 2,-0.3 -2,-0.1 -25,-0.2 0.295 55.9 67.6-123.8 7.0 61.2 29.3 20.1 120 125 A T S > S- 0 0 26 -27,-0.4 3,-0.5 1,-0.1 39,-0.1 -0.860 79.1-120.3-125.4 164.1 63.8 26.5 20.0 121 126 A I T > S+ 0 0 0 -2,-0.3 3,-2.4 1,-0.2 4,-0.4 0.948 116.2 54.7 -64.2 -47.3 67.6 26.3 20.4 122 127 A L T >> S+ 0 0 27 44,-0.3 4,-1.5 1,-0.3 3,-0.8 0.654 95.3 70.6 -60.7 -16.1 68.0 24.9 16.9 123 128 A A H <> S+ 0 0 0 -3,-0.5 4,-1.7 1,-0.2 -1,-0.3 0.484 76.3 78.2 -82.0 -1.6 66.0 27.9 15.7 124 129 A H H <4 S+ 0 0 1 -3,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.826 106.1 35.8 -72.2 -26.9 69.0 30.2 16.5 125 130 A D H X4 S+ 0 0 17 -3,-0.8 3,-1.0 -4,-0.4 -2,-0.2 0.936 119.1 46.5 -86.7 -54.1 70.3 28.7 13.2 126 131 A S H 3< S+ 0 0 22 -4,-1.5 4,-0.2 1,-0.2 -2,-0.2 0.782 104.9 57.4 -62.9 -36.2 67.1 28.4 11.1 127 132 A S T 3< S+ 0 0 3 -4,-1.7 2,-0.4 2,-0.1 -1,-0.2 0.650 102.3 69.9 -72.2 -12.1 65.5 31.8 11.8 128 133 A V S < S+ 0 0 2 -3,-1.0 3,-0.2 1,-0.1 20,-0.0 -0.874 88.1 34.2-109.8 135.7 68.7 33.4 10.4 129 134 A G S S- 0 0 0 -2,-0.4 -1,-0.1 1,-0.1 3,-0.1 0.314 98.9-101.0 112.9 -13.2 69.8 33.4 6.8 130 135 A G + 0 0 4 -3,-0.2 17,-2.4 1,-0.2 2,-0.4 0.341 69.6 143.8 81.1 -8.3 66.6 33.5 4.8 131 136 A K E +I 146 0C 42 -3,-0.2 2,-0.3 15,-0.2 -1,-0.2 -0.537 20.0 158.3 -70.2 122.8 66.2 29.9 3.9 132 137 A V E +I 145 0C 1 13,-2.4 13,-1.8 -2,-0.4 2,-0.3 -0.889 10.3 103.1-136.3 165.2 62.6 28.9 3.9 133 138 A G E -I 144 0C 0 -34,-1.6 11,-0.3 -2,-0.3 2,-0.2 -0.940 48.9 -95.9 153.1-174.7 60.6 26.1 2.3 134 139 A I E -I 143 0C 0 9,-2.7 9,-1.6 -2,-0.3 8,-0.6 -0.760 35.2 -99.2-132.6 179.0 58.9 22.8 2.5 135 140 A N - 0 0 16 -69,-2.4 2,-0.3 6,-0.3 -67,-0.3 -0.581 27.3-143.7 -99.2 163.7 59.6 19.2 1.9 136 141 A S - 0 0 6 3,-2.5 -70,-0.0 -2,-0.2 -69,-0.0 -0.881 33.2-105.4-124.2 157.9 58.8 17.1 -1.2 137 142 A K S S+ 0 0 160 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 0.732 123.2 56.8 -53.9 -18.6 57.7 13.5 -1.5 138 143 A Q S S- 0 0 84 1,-0.2 2,-0.2 2,-0.0 -1,-0.2 0.964 120.7 -52.7 -77.5 -56.6 61.3 13.1 -2.8 139 144 A G S > S- 0 0 12 1,-0.0 -3,-2.5 0, 0.0 3,-0.6 -0.883 72.5 -34.5-163.2-165.8 63.2 14.6 0.1 140 145 A K T 3 S- 0 0 26 -2,-0.2 -5,-0.1 1,-0.2 -6,-0.1 -0.344 108.2 -16.6 -72.7 151.2 63.9 17.3 2.7 141 146 A N T 3 S+ 0 0 23 1,-0.2 -6,-0.3 -75,-0.1 -1,-0.2 0.732 81.4 146.7 18.5 66.8 63.6 21.0 2.0 142 147 A L < + 0 0 36 -8,-0.6 293,-2.8 -3,-0.6 2,-0.4 0.600 61.6 48.9 -97.6 -16.2 63.5 20.4 -1.8 143 148 A I E S+IJ 134 434C 0 -9,-1.6 -9,-2.7 291,-0.2 2,-0.3 -0.984 81.1 87.3-126.5 133.5 61.2 23.2 -2.4 144 149 A G E -I 133 0C 0 289,-2.6 292,-0.4 -2,-0.4 2,-0.3 -0.984 50.2-114.4 171.7-161.1 61.7 26.7 -1.1 145 150 A A E -I 132 0C 15 -13,-1.8 -13,-2.4 -2,-0.3 2,-0.6 -0.951 24.9-105.8-158.4 171.5 63.2 30.1 -1.4 146 151 A F E +I 131 0C 31 290,-0.3 2,-0.3 -2,-0.3 -15,-0.2 -0.959 48.8 159.8-106.6 124.0 65.7 32.6 0.0 147 152 A Y - 0 0 61 -17,-2.4 -17,-0.1 -2,-0.6 -41,-0.1 -0.851 34.3-135.1-155.5 113.2 63.7 35.4 1.8 148 153 A R - 0 0 62 -2,-0.3 -34,-0.2 -19,-0.1 -20,-0.1 -0.449 23.9-129.7 -69.4 129.0 64.9 37.8 4.4 149 154 A P - 0 0 6 0, 0.0 -34,-0.2 0, 0.0 3,-0.1 -0.273 16.5-122.3 -71.9 167.1 62.6 38.4 7.4 150 155 A T S S- 0 0 46 -36,-3.5 2,-0.3 1,-0.4 -35,-0.2 0.826 91.5 -17.3 -76.3 -29.4 61.7 41.9 8.3 151 156 A A E - f 0 115A 0 -37,-1.1 -35,-2.4 -139,-0.2 2,-0.5 -0.973 57.4-131.7-168.6 155.9 63.2 41.0 11.7 152 157 A V E -bf 14 116A 0 -139,-2.2 -137,-2.4 -2,-0.3 2,-0.6 -0.984 19.0-170.1-118.1 120.7 64.1 38.1 14.0 153 158 A I E -b 15 0A 0 -37,-3.3 2,-0.8 -2,-0.5 -137,-0.2 -0.878 5.5-176.3-116.8 98.3 62.8 38.2 17.5 154 159 A Y E -b 16 0A 0 -139,-2.3 -137,-2.4 -2,-0.6 2,-0.7 -0.833 3.9-170.8 -99.2 102.1 64.5 35.5 19.6 155 160 A D E > -b 17 0A 1 -2,-0.8 3,-2.0 -37,-0.6 4,-0.3 -0.836 11.3-156.6 -97.7 108.1 63.1 35.4 23.2 156 161 A L G > S+ 0 0 9 -139,-0.8 3,-0.7 -2,-0.7 4,-0.3 0.583 85.4 73.9 -59.7 -14.3 65.2 33.0 25.3 157 162 A D G > S+ 0 0 42 -140,-0.3 3,-0.9 1,-0.2 -1,-0.3 0.724 83.4 69.2 -72.9 -20.9 62.4 32.4 27.8 158 163 A F G X S+ 0 0 1 -3,-2.0 3,-1.0 1,-0.2 -1,-0.2 0.807 89.7 65.2 -62.9 -31.0 60.7 30.2 25.2 159 164 A L G X S+ 0 0 6 -3,-0.7 3,-2.1 -4,-0.3 -1,-0.2 0.726 77.7 82.4 -65.7 -26.3 63.5 27.7 25.7 160 165 A K G < S+ 0 0 146 -3,-0.9 -1,-0.2 -4,-0.3 -2,-0.1 0.756 90.8 51.5 -52.4 -28.4 62.5 26.9 29.3 161 166 A T G < S+ 0 0 49 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.1 0.288 79.0 122.2 -96.5 10.9 59.9 24.4 28.1 162 167 A L < - 0 0 24 -3,-2.1 5,-0.1 4,-0.1 -3,-0.0 -0.603 60.7-130.1 -78.8 122.3 62.1 22.3 25.8 163 168 A P > - 0 0 68 0, 0.0 4,-1.5 0, 0.0 3,-0.5 -0.158 31.0-105.7 -59.4 169.7 62.3 18.6 26.5 164 169 A F H > S+ 0 0 29 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.864 120.8 65.4 -66.3 -33.3 65.8 17.3 26.7 165 170 A K H > S+ 0 0 124 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.852 107.0 40.7 -55.5 -38.4 65.2 15.7 23.3 166 171 A Q H > S+ 0 0 76 -3,-0.5 4,-2.4 2,-0.2 -44,-0.3 0.762 112.0 56.0 -82.7 -27.3 64.8 19.1 21.7 167 172 A I H X S+ 0 0 5 -4,-1.5 4,-3.0 2,-0.2 -2,-0.2 0.981 110.0 45.2 -66.4 -53.4 67.7 20.5 23.8 168 173 A L H X S+ 0 0 4 -4,-3.4 4,-1.4 1,-0.2 -2,-0.2 0.928 113.9 50.3 -51.8 -51.2 70.0 17.8 22.4 169 174 A S H < S+ 0 0 3 -4,-1.6 4,-0.5 -5,-0.3 -1,-0.2 0.904 113.7 44.0 -56.3 -46.2 68.7 18.3 18.9 170 175 A G H >X S+ 0 0 0 -4,-2.4 3,-1.4 1,-0.2 4,-1.3 0.895 104.5 63.9 -68.2 -38.8 69.2 22.1 19.0 171 176 A Y H 3X S+ 0 0 0 -4,-3.0 4,-3.3 1,-0.3 5,-0.3 0.860 88.6 69.9 -53.6 -37.9 72.7 21.8 20.6 172 177 A A H 3X S+ 0 0 0 -4,-1.4 4,-1.4 1,-0.3 -1,-0.3 0.840 103.3 43.0 -48.9 -39.5 74.0 20.0 17.5 173 178 A E H <> S+ 0 0 0 -3,-1.4 4,-2.2 -4,-0.5 -1,-0.3 0.824 111.3 52.6 -77.5 -35.5 73.8 23.3 15.6 174 179 A V H X S+ 0 0 3 -4,-1.3 4,-1.5 1,-0.2 -2,-0.2 0.917 114.9 44.8 -64.2 -40.2 75.2 25.4 18.4 175 180 A Y H X S+ 0 0 4 -4,-3.3 4,-2.6 2,-0.2 -2,-0.2 0.797 108.1 56.3 -73.0 -32.2 78.1 22.9 18.4 176 181 A K H X S+ 0 0 3 -4,-1.4 4,-2.9 -5,-0.3 5,-0.2 0.931 108.2 48.4 -66.1 -43.5 78.4 22.9 14.6 177 182 A H H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.878 110.3 51.0 -63.2 -39.3 78.9 26.7 14.7 178 183 A A H X S+ 0 0 8 -4,-1.5 4,-1.0 2,-0.2 8,-0.3 0.949 110.4 50.0 -62.3 -48.1 81.5 26.3 17.4 179 184 A L H >< S+ 0 0 0 -4,-2.6 3,-0.9 1,-0.2 124,-0.3 0.938 115.0 43.1 -54.2 -47.8 83.2 23.7 15.3 180 185 A L H 3< S+ 0 0 31 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.806 108.7 59.7 -69.3 -27.8 83.1 26.1 12.3 181 186 A N H 3< S- 0 0 61 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.643 118.8 -92.7 -75.2 -15.3 84.1 29.0 14.5 182 187 A G S+ 0 0 101 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.844 124.4 53.0 -64.3 -35.6 89.3 24.9 17.7 184 189 A S H > S+ 0 0 99 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.786 111.4 44.8 -71.3 -31.1 89.4 27.5 20.5 185 190 A A H > S+ 0 0 18 -7,-0.3 4,-2.0 -3,-0.2 -2,-0.2 0.794 113.1 52.2 -82.9 -28.5 85.6 27.9 20.4 186 191 A T H X S+ 0 0 0 -4,-1.8 4,-2.2 -8,-0.3 -2,-0.2 0.904 112.2 42.6 -73.2 -44.2 85.1 24.1 20.3 187 192 A Q H X S+ 0 0 93 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.834 113.2 57.4 -70.5 -28.3 87.2 23.3 23.3 188 193 A D H X S+ 0 0 68 -4,-0.8 4,-1.1 -5,-0.2 -2,-0.2 0.932 112.6 37.2 -66.1 -46.2 85.6 26.3 25.0 189 194 A I H X S+ 0 0 2 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.827 113.5 57.6 -75.6 -32.3 82.0 24.9 24.5 190 195 A E H < S+ 0 0 29 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.853 107.3 48.4 -64.8 -37.2 83.1 21.3 25.2 191 196 A Q H < S+ 0 0 131 -4,-1.7 3,-0.4 -5,-0.1 -1,-0.2 0.811 116.5 42.2 -73.2 -34.3 84.5 22.2 28.6 192 197 A H H < S+ 0 0 61 -4,-1.1 2,-2.0 1,-0.3 3,-0.3 0.976 119.4 40.1 -75.8 -66.5 81.4 24.2 29.6 193 198 A F S < S+ 0 0 0 -4,-2.2 -1,-0.3 1,-0.2 3,-0.1 -0.571 76.8 144.7 -84.7 76.5 78.7 21.8 28.3 194 199 A K + 0 0 114 -2,-2.0 2,-0.3 -3,-0.4 -1,-0.2 0.663 60.3 17.9 -89.4 -20.1 80.6 18.7 29.5 195 200 A D S > S- 0 0 52 -3,-0.3 4,-2.4 91,-0.1 91,-0.3 -0.948 80.7 -97.8-149.6 168.4 77.7 16.6 30.5 196 201 A R H > S+ 0 0 120 89,-2.2 4,-3.4 -2,-0.3 5,-0.2 0.873 116.2 57.2 -51.8 -45.2 73.9 16.0 30.2 197 202 A E H > S+ 0 0 155 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.944 110.0 41.4 -56.4 -52.8 73.2 17.7 33.5 198 203 A I H >>>S+ 0 0 41 2,-0.2 5,-0.7 1,-0.2 4,-0.6 0.930 117.2 48.7 -62.7 -46.1 74.8 21.0 32.5 199 204 A L H ><5S+ 0 0 0 -4,-2.4 3,-2.3 1,-0.2 -2,-0.2 0.970 109.1 52.5 -57.8 -54.1 73.3 20.9 29.0 200 205 A Q H 3<5S+ 0 0 107 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.708 105.6 56.4 -56.2 -22.0 69.8 20.1 30.3 201 206 A S H <<5S- 0 0 52 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.613 95.9-143.9 -85.0 -14.4 70.0 23.1 32.7 202 207 A L T X<5 + 0 0 32 -3,-2.3 3,-2.4 -4,-0.6 4,-0.4 0.531 36.7 166.0 62.7 7.4 70.7 25.4 29.7 203 208 A N T 3 S+ 0 0 37 -2,-0.3 4,-1.2 -3,-0.1 -1,-0.3 0.605 90.2 125.1 82.5 11.4 75.1 29.7 29.7 205 210 A M H <> + 0 0 1 -3,-2.4 4,-3.2 1,-0.2 5,-0.2 0.797 65.0 69.5 -70.8 -27.8 73.4 28.6 26.5 206 211 A D H > S+ 0 0 62 -4,-0.4 4,-3.1 1,-0.2 5,-0.2 0.952 99.5 44.8 -51.8 -58.3 72.6 32.2 25.9 207 212 A K H > S+ 0 0 116 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.894 117.0 45.8 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159.1 65.8 39.4 -32.7 344 18 B H T 3 S+ 0 0 81 -2,-0.3 137,-0.1 137,-0.3 -2,-0.0 -0.592 119.3 14.0 -71.2 119.0 64.5 37.2 -35.4 345 19 B G T > S+ 0 0 23 -2,-0.5 3,-1.8 3,-0.0 -1,-0.3 0.574 78.9 139.2 91.4 10.0 66.2 33.9 -34.9 346 20 B A G X + 0 0 0 -3,-1.8 3,-1.4 1,-0.3 4,-0.3 0.623 50.3 91.7 -61.2 -11.0 67.5 34.7 -31.4 347 21 B I G > + 0 0 32 1,-0.3 3,-1.1 -4,-0.2 4,-0.4 0.703 69.9 73.1 -57.8 -20.0 66.5 31.1 -30.6 348 22 B K G X> S+ 0 0 122 -3,-1.8 3,-1.5 1,-0.2 4,-0.6 0.878 83.3 65.9 -62.6 -40.8 70.1 30.2 -31.5 349 23 B Y G <4 S+ 0 0 54 -3,-1.4 4,-0.5 1,-0.3 -1,-0.2 0.593 82.1 77.2 -58.8 -15.7 71.5 31.7 -28.3 350 24 B I G X> S+ 0 0 11 -3,-1.1 4,-2.3 -4,-0.3 3,-1.2 0.909 91.6 54.5 -64.1 -38.5 69.8 29.1 -26.2 351 25 B G H <> S+ 0 0 43 -3,-1.5 4,-0.9 -4,-0.4 -1,-0.2 0.949 96.4 63.3 -57.6 -51.4 72.5 26.6 -27.2 352 26 B T H 3< S+ 0 0 92 -4,-0.6 -1,-0.2 1,-0.2 4,-0.2 0.638 114.0 36.0 -49.3 -17.1 75.3 28.9 -26.0 353 27 B Y H X4 S+ 0 0 29 -3,-1.2 3,-2.1 -4,-0.5 -1,-0.2 0.844 98.1 74.3-100.7 -55.4 73.8 28.5 -22.4 354 28 B L H >< S+ 0 0 39 -4,-2.3 3,-0.8 1,-0.3 -2,-0.2 0.621 89.9 66.4 -34.3 -24.2 72.6 25.0 -22.3 355 29 B N T 3< S+ 0 0 140 -4,-0.9 -1,-0.3 1,-0.2 -2,-0.1 0.923 92.5 55.1 -69.3 -48.2 76.2 23.9 -22.1 356 30 B Q T < S+ 0 0 103 -3,-2.1 2,-0.4 -4,-0.2 -1,-0.2 0.102 97.4 90.0 -75.1 25.7 76.9 25.3 -18.7 357 31 B F < - 0 0 13 -3,-0.8 56,-0.2 1,-0.2 3,-0.1 -0.986 64.3-153.1-129.3 133.5 74.0 23.4 -17.3 358 32 B D S S+ 0 0 83 54,-1.8 2,-0.3 -2,-0.4 -1,-0.2 0.997 88.7 2.1 -59.7 -72.4 73.9 19.9 -15.8 359 33 B Q - 0 0 35 53,-0.3 55,-2.1 51,-0.1 2,-0.4 -0.832 67.0-159.9-116.2 154.8 70.2 19.3 -16.8 360 34 B S E -op 380 414F 0 19,-3.0 21,-3.0 -2,-0.3 2,-0.7 -0.989 4.9-155.9-136.3 123.2 67.8 21.6 -18.7 361 35 B F E -op 381 415F 0 53,-2.8 55,-2.7 -2,-0.4 2,-1.3 -0.898 7.1-153.0-104.9 114.6 64.1 21.2 -18.5 362 36 B L E -op 382 416F 16 19,-4.0 21,-2.7 -2,-0.7 2,-0.8 -0.699 11.5-168.0 -84.6 90.9 62.3 22.7 -21.5 363 37 B L E +op 383 417F 0 53,-2.1 55,-2.9 -2,-1.3 2,-0.4 -0.738 17.7 176.6 -82.6 113.9 58.9 23.6 -20.1 364 38 B I E -op 384 418F 0 19,-2.3 21,-2.0 -2,-0.8 55,-0.2 -0.948 33.6-102.9-126.8 143.8 56.9 24.3 -23.2 365 39 B D E > -o 385 0F 14 53,-1.7 4,-2.8 -2,-0.4 5,-0.2 -0.322 30.7-122.9 -60.5 134.6 53.2 25.2 -23.8 366 40 B E H > S+ 0 0 86 19,-1.8 4,-0.8 20,-0.2 -1,-0.1 0.891 112.9 35.1 -44.0 -53.5 51.0 22.4 -25.1 367 41 B Y H >> S+ 0 0 133 2,-0.2 4,-1.9 1,-0.2 3,-1.5 0.952 114.1 57.1 -68.6 -51.9 49.9 24.3 -28.2 368 42 B V H 3> S+ 0 0 18 1,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.825 102.3 57.7 -49.6 -33.7 53.3 26.0 -28.7 369 43 B N H 3X S+ 0 0 22 -4,-2.8 4,-1.9 2,-0.2 -1,-0.3 0.854 103.8 52.0 -66.3 -34.8 54.8 22.5 -28.8 370 44 B Q H << S+ 0 0 142 -3,-1.5 -2,-0.2 -4,-0.8 4,-0.2 0.951 113.7 44.0 -64.2 -49.6 52.5 21.7 -31.8 371 45 B Y H < S+ 0 0 136 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.860 134.3 12.3 -64.4 -41.1 53.7 24.8 -33.6 372 46 B F H X S+ 0 0 19 -4,-2.7 4,-0.7 -5,-0.2 3,-0.5 0.188 74.7 124.6-131.1 23.6 57.4 24.6 -32.9 373 47 B A H >X S+ 0 0 20 -4,-1.9 4,-0.8 1,-0.2 3,-0.5 0.835 84.6 53.0 -49.5 -33.7 58.3 21.1 -31.5 374 48 B N H >4 S+ 0 0 137 1,-0.2 3,-0.5 2,-0.2 -1,-0.2 0.873 92.4 65.4 -71.5 -43.4 60.8 21.0 -34.4 375 49 B K H 34 S+ 0 0 105 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.715 112.9 40.8 -54.6 -14.9 62.6 24.3 -33.8 376 50 B F H << 0 0 46 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.2 0.673 360.0 360.0-107.2 -22.7 63.7 22.5 -30.7 377 51 B D << 0 0 156 -4,-0.8 -2,-0.1 -3,-0.5 -3,-0.1 0.998 360.0 360.0 -66.5 360.0 64.4 18.9 -31.8 378 ! 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 0.0 379 58 B N 0 0 102 0, 0.0 -19,-3.0 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 -13.1 70.5 16.5 -20.5 380 59 B V E -o 360 0F 67 -21,-0.2 2,-0.4 -19,-0.1 -19,-0.2 -0.851 360.0-172.2-100.9 125.4 67.5 18.5 -22.1 381 60 B H E -o 361 0F 50 -21,-3.0 -19,-4.0 -2,-0.5 2,-0.6 -0.956 17.3-139.8-120.6 132.9 64.0 17.4 -21.2 382 61 B K E -o 362 0F 79 -2,-0.4 2,-0.6 -21,-0.2 -19,-0.2 -0.789 14.9-170.4 -93.3 122.5 60.7 18.6 -22.6 383 62 B V E -o 363 0F 12 -21,-2.7 -19,-2.3 -2,-0.6 2,-0.6 -0.954 12.4-151.4-111.5 109.8 58.0 19.1 -20.1 384 63 B I E -o 364 0F 78 -2,-0.6 -19,-0.2 -21,-0.2 -21,-0.1 -0.771 19.2-174.9 -87.2 121.1 54.7 19.7 -21.9 385 64 B I E -o 365 0F 4 -21,-2.0 -19,-1.8 -2,-0.6 3,-0.1 -0.650 33.2 -73.5-110.7 165.1 52.4 21.9 -19.7 386 65 B P - 0 0 33 0, 0.0 2,-0.4 0, 0.0 5,-0.2 -0.037 59.3 -89.1 -53.7 162.0 48.8 23.0 -20.2 387 66 B A S > S- 0 0 5 -22,-0.2 3,-1.6 3,-0.1 -22,-0.0 -0.631 75.8 -47.0 -81.9 125.3 47.9 25.7 -22.7 388 67 B G G > S+ 0 0 24 -2,-0.4 3,-2.0 1,-0.3 4,-0.4 -0.205 126.6 3.0 57.7-139.5 48.0 29.3 -21.5 389 68 B E G > S+ 0 0 77 1,-0.3 3,-0.5 2,-0.2 -1,-0.3 0.596 115.7 81.4 -55.7 -14.0 46.3 30.2 -18.2 390 69 B K G < S+ 0 0 132 -3,-1.6 -1,-0.3 1,-0.2 6,-0.2 0.762 90.1 51.4 -66.8 -23.6 45.4 26.5 -17.7 391 70 B T G < S+ 0 0 0 -3,-2.0 2,-2.1 -5,-0.2 -1,-0.2 0.689 85.1 86.1 -87.6 -20.5 48.9 25.8 -16.4 392 71 B K < + 0 0 5 -3,-0.5 69,-2.0 -4,-0.4 2,-0.3 -0.328 66.8 115.5 -80.4 58.7 49.1 28.5 -13.8 393 72 B T S > S- 0 0 47 -2,-2.1 4,-1.7 67,-0.2 69,-0.1 -0.879 74.5-123.0-124.2 158.6 47.4 26.5 -11.1 394 73 B F H > S+ 0 0 6 67,-0.3 4,-2.3 -2,-0.3 5,-0.2 0.851 113.8 56.1 -65.5 -35.1 48.6 25.2 -7.7 395 74 B E H > S+ 0 0 116 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.951 110.3 42.0 -61.2 -53.8 47.7 21.7 -8.8 396 75 B Q H > S+ 0 0 24 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.779 110.1 61.2 -65.6 -27.5 49.9 21.9 -11.9 397 76 B Y H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.950 107.4 42.6 -62.9 -50.6 52.5 23.6 -9.8 398 77 B Q H X S+ 0 0 45 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.908 113.6 52.0 -63.7 -44.3 52.9 20.6 -7.5 399 78 B E H X S+ 0 0 119 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.904 111.4 44.3 -61.2 -45.8 52.8 18.1 -10.3 400 79 B T H X S+ 0 0 2 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.887 113.4 49.9 -68.4 -40.4 55.6 19.7 -12.4 401 80 B L H X S+ 0 0 0 -4,-1.8 4,-2.8 -5,-0.2 -2,-0.2 0.932 115.0 45.5 -62.3 -46.6 57.9 20.3 -9.4 402 81 B E H X S+ 0 0 25 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.945 112.3 50.2 -61.0 -50.7 57.4 16.7 -8.4 403 82 B Y H < S+ 0 0 106 -4,-2.8 4,-0.4 1,-0.2 -1,-0.2 0.869 115.3 43.7 -56.5 -39.5 58.0 15.4 -11.9 404 83 B I H >< S+ 0 0 0 -4,-2.3 3,-1.4 1,-0.2 -1,-0.2 0.904 110.3 54.0 -74.0 -41.2 61.1 17.4 -12.3 405 84 B L H >< S+ 0 0 6 -4,-2.8 3,-1.4 1,-0.3 4,-0.4 0.830 97.5 66.5 -60.8 -33.3 62.5 16.5 -8.8 406 85 B S T 3< S+ 0 0 56 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.736 87.4 69.6 -60.3 -25.1 62.1 12.8 -9.7 407 86 B H T < S- 0 0 45 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.1 0.158 112.3-118.5 -79.8 20.0 64.8 13.3 -12.2 408 87 B H < - 0 0 146 -3,-1.4 -2,-0.1 1,-0.1 -3,-0.1 0.921 49.1-175.2 38.6 70.6 67.3 13.8 -9.4 409 88 B V - 0 0 23 -4,-0.4 2,-0.2 -5,-0.2 -1,-0.1 -0.244 14.3-140.4 -87.5 176.2 68.2 17.3 -10.4 410 89 B T > - 0 0 62 -51,-0.1 3,-0.7 -2,-0.1 -51,-0.1 -0.719 32.8 -96.6-128.9 179.8 70.8 19.7 -8.9 411 90 B R T 3 S+ 0 0 85 1,-0.3 28,-0.1 -2,-0.2 -2,-0.0 0.554 118.6 66.0 -77.0 -6.9 71.1 23.4 -8.1 412 91 B N T 3 S+ 0 0 62 26,-0.1 -54,-1.8 2,-0.1 2,-0.3 -0.243 78.2 117.4-106.5 40.6 72.8 23.9 -11.5 413 92 B T < - 0 0 0 -3,-0.7 26,-2.9 -56,-0.2 2,-0.3 -0.830 53.2-144.4-107.4 145.9 69.7 23.0 -13.4 414 93 B A E -pq 360 439F 0 -55,-2.1 -53,-2.8 -2,-0.3 2,-0.6 -0.854 5.7-150.1-115.3 150.7 67.9 25.3 -15.8 415 94 B I E -pq 361 440F 0 24,-2.3 26,-2.4 -2,-0.3 2,-0.7 -0.976 14.6-161.3-116.1 113.6 64.3 25.8 -16.5 416 95 B I E -pq 362 441F 0 -55,-2.7 -53,-2.1 -2,-0.6 2,-0.8 -0.905 6.8-151.3-101.9 118.5 63.8 27.0 -20.0 417 96 B A E -pq 363 442F 1 24,-3.1 26,-2.4 -2,-0.7 2,-0.8 -0.802 12.5-173.7 -93.1 104.8 60.3 28.5 -20.5 418 97 B V E +pq 364 443F 0 -55,-2.9 -53,-1.7 -2,-0.8 2,-0.3 -0.833 50.2 35.8-100.9 101.8 59.2 28.1 -24.1 419 98 B G E S- q 0 444F 1 24,-2.2 26,-1.3 -2,-0.8 27,-0.4 -0.996 87.9 -36.1 158.3-163.9 55.9 30.0 -24.6 420 99 B G S > S- 0 0 12 -2,-0.3 4,-1.2 24,-0.2 23,-0.1 0.383 75.6 -73.6 -73.0-149.0 53.8 33.0 -23.7 421 100 B G H > S+ 0 0 15 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.773 127.7 58.1 -84.5 -26.5 53.4 34.8 -20.4 422 101 B A H > S+ 0 0 14 2,-0.2 4,-1.5 1,-0.2 5,-0.2 0.857 110.7 41.6 -70.7 -37.5 51.4 32.1 -18.8 423 102 B T H > S+ 0 0 0 2,-0.2 4,-3.2 3,-0.2 5,-0.4 0.877 115.2 51.9 -78.0 -35.9 54.1 29.5 -19.3 424 103 B G H X S+ 0 0 1 -4,-1.2 4,-1.6 2,-0.2 -2,-0.2 0.877 110.9 46.2 -65.5 -40.6 56.8 32.0 -18.4 425 104 B D H X S+ 0 0 19 -4,-2.2 34,-1.3 2,-0.2 4,-1.3 0.911 119.8 41.5 -66.9 -44.5 55.1 32.9 -15.1 426 105 B F H >X S+ 0 0 0 -4,-1.5 4,-1.5 2,-0.2 3,-0.8 0.980 118.0 42.6 -67.8 -61.0 54.5 29.3 -14.2 427 106 B A H 3X S+ 0 0 0 -4,-3.2 4,-2.6 1,-0.3 5,-0.2 0.867 114.0 56.3 -54.4 -35.9 57.8 27.8 -15.4 428 107 B G H 3X S+ 0 0 0 -4,-1.6 4,-1.4 -5,-0.4 -1,-0.3 0.843 104.5 50.3 -65.6 -35.1 59.5 30.8 -13.7 429 108 B F H X S+ 0 0 0 -4,-1.5 4,-3.1 2,-0.2 3,-0.7 0.967 112.7 43.8 -73.5 -55.4 59.1 26.4 -10.6 431 110 B A H 3< S+ 0 0 0 -4,-2.6 7,-2.9 1,-0.2 -2,-0.2 0.798 112.4 56.3 -58.5 -28.7 62.7 27.5 -11.3 432 111 B A H 3< S+ 0 0 5 -4,-1.4 -1,-0.2 5,-0.2 -2,-0.2 0.829 120.4 25.7 -74.5 -32.3 62.3 30.1 -8.5 433 112 B T H X< S+ 0 0 2 -4,-1.1 -289,-2.6 -3,-0.7 3,-2.4 0.640 88.3 109.7-107.1 -18.3 61.4 27.6 -5.9 434 113 B L B >< S-J 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15.2-169.4-125.7 75.0 62.0 32.0 -24.2 444 123 B P E +q 419 0F 1 0, 0.0 37,-0.5 0, 0.0 -24,-0.2 -0.381 14.7 179.2 -68.0 142.5 58.9 34.2 -24.9 445 124 B T + 0 0 5 -26,-1.3 2,-0.3 35,-0.1 -25,-0.2 0.358 54.6 68.6-127.5 2.6 56.9 33.6 -28.1 446 125 B T S > S- 0 0 24 -27,-0.4 3,-0.7 1,-0.1 4,-0.1 -0.795 80.3-117.1-120.6 166.4 54.1 36.2 -28.0 447 126 B I T > S+ 0 0 0 -2,-0.3 3,-1.9 1,-0.2 4,-0.3 0.929 117.0 55.0 -65.3 -43.7 53.8 40.0 -28.3 448 127 B L T >> S+ 0 0 25 44,-0.3 4,-1.5 1,-0.3 3,-0.7 0.617 94.4 71.5 -65.1 -12.4 52.5 40.2 -24.8 449 128 B A H <> S+ 0 0 0 -3,-0.7 4,-1.7 1,-0.2 -1,-0.3 0.515 76.2 76.9 -83.5 -3.5 55.6 38.3 -23.6 450 129 B H H <4 S+ 0 0 0 -3,-1.9 -1,-0.2 2,-0.2 4,-0.2 0.802 106.6 36.4 -72.2 -25.7 57.8 41.4 -24.3 451 130 B D H X4 S+ 0 0 16 -3,-0.7 3,-1.4 -4,-0.3 -2,-0.2 0.946 119.5 44.6 -85.1 -63.8 56.3 42.6 -21.1 452 131 B S H 3< S+ 0 0 25 -4,-1.5 4,-0.2 1,-0.3 -2,-0.2 0.726 106.8 57.7 -55.6 -33.4 56.0 39.4 -19.0 453 132 B S T 3< S+ 0 0 2 -4,-1.7 2,-0.4 -5,-0.1 3,-0.3 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46.8 37.2 -29.7 493 172 B I H X S+ 0 0 4 -4,-1.5 4,-3.1 2,-0.2 -2,-0.2 0.987 111.6 42.4 -67.2 -54.0 48.2 40.1 -31.7 494 173 B L H X S+ 0 0 4 -4,-3.3 4,-1.3 1,-0.2 -2,-0.2 0.944 114.3 51.6 -52.5 -54.0 45.4 42.4 -30.3 495 174 B S H < S+ 0 0 3 -4,-2.2 4,-0.3 -5,-0.3 3,-0.3 0.892 115.3 42.0 -50.2 -46.1 45.9 41.0 -26.8 496 175 B G H >X S+ 0 0 0 -4,-2.3 3,-1.5 1,-0.2 4,-1.3 0.863 103.6 65.6 -72.7 -35.6 49.6 41.6 -26.9 497 176 B Y H 3X S+ 0 0 0 -4,-3.1 4,-2.8 1,-0.3 5,-0.2 0.811 87.6 71.1 -57.7 -29.5 49.4 45.0 -28.6 498 177 B A H 3X S+ 0 0 0 -4,-1.3 4,-1.6 -3,-0.3 -1,-0.3 0.814 101.6 43.3 -57.7 -32.7 47.7 46.4 -25.4 499 178 B E H <> S+ 0 0 0 -3,-1.5 4,-2.5 -4,-0.3 -1,-0.2 0.854 110.9 53.1 -81.7 -38.4 50.9 46.2 -23.5 500 179 B V H X S+ 0 0 2 -4,-1.3 4,-1.3 1,-0.2 -2,-0.2 0.913 115.4 43.7 -60.0 -40.6 53.0 47.6 -26.3 501 180 B Y H X S+ 0 0 3 -4,-2.8 4,-3.0 2,-0.2 -2,-0.2 0.855 107.9 57.2 -72.6 -37.4 50.5 50.4 -26.3 502 181 B K H X S+ 0 0 3 -4,-1.6 4,-3.1 -5,-0.2 5,-0.2 0.955 109.1 46.9 -57.7 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56.9 -67.0 -24.7 50.9 59.5 -31.2 514 193 B D H X S+ 0 0 63 -4,-0.6 4,-1.2 -5,-0.3 -2,-0.2 0.948 111.4 37.9 -69.8 -48.7 53.9 57.9 -32.8 515 194 B I H X S+ 0 0 1 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.884 114.9 56.2 -70.1 -37.3 52.6 54.3 -32.4 516 195 B E H < S+ 0 0 25 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.829 107.1 49.4 -61.9 -36.2 49.0 55.4 -33.1 517 196 B Q H < S+ 0 0 135 -4,-1.5 3,-0.4 -5,-0.2 -1,-0.2 0.826 116.5 41.7 -73.5 -33.9 50.0 56.9 -36.5 518 197 B H H < S+ 0 0 60 -4,-1.2 2,-1.8 1,-0.3 3,-0.3 0.977 120.3 39.7 -75.6 -64.3 51.9 53.7 -37.5 519 198 B F S < S+ 0 0 0 -4,-2.7 -1,-0.3 1,-0.2 3,-0.1 -0.584 76.0 145.7 -86.6 75.2 49.5 51.1 -36.2 520 199 B K + 0 0 115 -2,-1.8 2,-0.3 -3,-0.4 -1,-0.2 0.674 61.5 15.4 -87.0 -21.0 46.4 53.1 -37.4 521 200 B D S > S- 0 0 52 -3,-0.3 4,-2.0 91,-0.1 91,-0.3 -0.947 81.4 -96.0-149.5 169.6 44.2 50.1 -38.4 522 201 B R H > S+ 0 0 120 89,-2.2 4,-3.4 -2,-0.3 5,-0.2 0.853 115.2 58.5 -52.6 -43.4 43.7 46.4 -38.1 523 202 B E H > S+ 0 0 159 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.933 109.2 41.6 -57.4 -50.1 45.4 45.6 -41.4 524 203 B I H >>S+ 0 0 43 -3,-0.2 5,-0.8 2,-0.2 4,-0.5 0.876 117.4 48.8 -66.7 -38.2 48.7 47.1 -40.4 525 204 B L H ><5S+ 0 0 0 -4,-2.0 3,-2.4 1,-0.2 -2,-0.2 0.980 109.1 51.1 -65.0 -55.8 48.5 45.7 -36.9 526 205 B Q H 3<5S+ 0 0 107 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.722 107.9 55.6 -54.1 -23.2 47.7 42.2 -38.2 527 206 B S H 3<5S- 0 0 49 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.612 95.7-145.2 -85.2 -15.7 50.7 42.4 -40.5 528 207 B L T X<5 + 0 0 29 -3,-2.4 3,-1.9 -4,-0.5 4,-0.5 0.593 36.5 163.6 60.5 13.1 53.1 43.2 -37.7 529 208 B N T 3 S+ 0 0 31 -2,-0.4 4,-1.4 -3,-0.1 3,-0.3 0.414 90.7 120.9 91.2 -2.7 57.2 47.6 -37.6 531 210 B M H <> + 0 0 0 -3,-1.9 4,-3.1 1,-0.2 5,-0.2 0.816 66.9 68.5 -62.3 -30.6 56.2 45.8 -34.4 532 211 B D H > S+ 0 0 66 -4,-0.5 4,-2.5 1,-0.2 5,-0.2 0.949 100.8 44.8 -51.3 -56.6 59.8 45.0 -33.9 533 212 B K H > S+ 0 0 113 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.865 117.2 44.5 -57.4 -41.9 60.7 48.6 -33.3 534 213 B Y H X S+ 0 0 22 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.803 110.4 54.3 -76.8 -28.4 57.7 49.1 -30.9 535 214 B I H X S+ 0 0 0 -4,-3.1 4,-2.0 2,-0.2 -2,-0.2 0.936 112.6 43.7 -68.8 -45.6 58.3 45.9 -29.1 536 215 B A H X S+ 0 0 14 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.904 111.3 53.7 -65.5 -41.0 61.9 46.9 -28.4 537 216 B K H X S+ 0 0 71 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.909 109.1 51.8 -58.4 -39.0 60.8 50.4 -27.4 538 217 B G H X S+ 0 0 3 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.896 107.8 48.7 -64.8 -43.8 58.4 48.7 -25.0 539 218 B I H X S+ 0 0 0 -4,-2.0 4,-3.1 2,-0.2 -1,-0.2 0.871 110.3 52.5 -65.1 -37.3 61.0 46.5 -23.3 540 219 B E H X S+ 0 0 64 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.923 108.6 50.2 -64.1 -45.2 63.3 49.6 -22.9 541 220 B T H X S+ 0 0 11 -4,-2.1 4,-1.6 1,-0.2 3,-0.3 0.923 116.5 41.1 -58.5 -46.7 60.5 51.5 -21.2 542 221 B K H X S+ 0 0 12 -4,-2.1 4,-3.0 1,-0.2 5,-0.3 0.882 108.9 59.6 -69.7 -38.9 59.8 48.7 -18.9 543 222 B L H X S+ 0 0 18 -4,-3.1 4,-0.7 1,-0.2 -211,-0.2 0.781 105.1 51.8 -60.7 -25.9 63.5 48.0 -18.4 544 223 B D H X S+ 0 0 118 -4,-1.5 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