==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATOR 10-JUN-09 3HSR . COMPND 2 MOLECULE: HTH-TYPE TRANSCRIPTIONAL REGULATOR SARZ; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS; . AUTHOR C.B.POOR,E.DUGUID,P.A.RICE,C.HE . 526 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25786.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 433 82.3 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 . 29 5.5 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 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 10 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 316 60.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.7 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 2 0 0 5 3 0 0 0 5 1 0 2 0 2 0 2 0 0 0 0 1 1 0 1 1 0 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 1 3 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 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 M > 0 0 149 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -49.1 -0.5 33.6 5.9 2 7 A Y H > + 0 0 54 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.933 360.0 59.3 -65.6 -47.7 -2.6 33.0 2.8 3 8 A L H > S+ 0 0 43 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.913 110.2 40.7 -43.8 -54.3 -0.8 29.8 1.9 4 9 A S H > S+ 0 0 6 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.804 114.4 53.3 -76.0 -29.7 -1.7 28.1 5.2 5 10 A K H X S+ 0 0 116 -4,-1.5 4,-2.4 2,-0.2 5,-0.2 0.954 112.4 43.4 -65.2 -50.2 -5.3 29.5 5.2 6 11 A Q H X S+ 0 0 18 -4,-3.2 4,-2.7 1,-0.2 5,-0.2 0.873 116.1 48.1 -66.6 -36.7 -6.0 28.2 1.7 7 12 A L H X S+ 0 0 16 -4,-2.2 4,-1.3 -5,-0.3 -1,-0.2 0.872 110.5 51.5 -71.9 -40.0 -4.4 24.9 2.4 8 13 A C H X S+ 0 0 14 -4,-2.0 4,-1.8 -5,-0.2 3,-0.3 0.990 118.7 36.8 -55.0 -57.6 -6.3 24.5 5.7 9 14 A F H X S+ 0 0 63 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.924 112.4 53.9 -69.6 -48.2 -9.7 25.2 4.1 10 15 A L H X S+ 0 0 18 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.806 112.8 47.0 -57.8 -29.1 -9.3 23.5 0.7 11 16 A F H X S+ 0 0 11 -4,-1.3 4,-2.1 -3,-0.3 -1,-0.2 0.836 109.0 53.0 -77.9 -39.6 -8.3 20.3 2.5 12 17 A Y H X S+ 0 0 5 -4,-1.8 4,-2.0 -5,-0.2 -2,-0.2 0.916 112.1 46.2 -56.3 -46.1 -11.2 20.6 4.9 13 18 A V H X S+ 0 0 3 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.915 110.4 51.8 -70.5 -44.5 -13.6 20.9 2.0 14 19 A S H X S+ 0 0 0 -4,-1.8 4,-2.5 -5,-0.2 -1,-0.2 0.924 115.0 41.7 -52.9 -49.3 -12.1 18.0 -0.1 15 20 A S H X S+ 0 0 12 -4,-2.1 4,-2.0 1,-0.2 5,-0.2 0.829 110.6 56.8 -72.3 -34.2 -12.4 15.6 2.9 16 21 A K H X S+ 0 0 61 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.915 113.4 42.1 -60.1 -38.6 -15.8 16.9 3.9 17 22 A E H X S+ 0 0 12 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.809 110.9 51.8 -87.5 -35.6 -16.9 16.0 0.3 18 23 A I H X S+ 0 0 1 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.949 113.7 46.6 -59.0 -48.3 -15.2 12.6 -0.2 19 24 A I H X S+ 0 0 58 -4,-2.0 4,-2.7 1,-0.3 5,-0.2 0.894 105.7 56.6 -67.1 -41.0 -16.8 11.4 3.1 20 25 A K H X S+ 0 0 75 -4,-1.7 4,-1.9 -5,-0.2 -1,-0.3 0.941 112.3 46.1 -51.3 -43.6 -20.2 12.7 2.3 21 26 A K H X S+ 0 0 30 -4,-1.4 4,-1.7 1,-0.2 -2,-0.2 0.887 111.5 47.8 -73.1 -42.5 -19.9 10.5 -0.8 22 27 A Y H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.826 109.3 56.3 -64.2 -29.7 -18.6 7.4 0.9 23 28 A T H X S+ 0 0 65 -4,-2.7 4,-1.4 -5,-0.2 -2,-0.2 0.926 104.3 52.2 -68.3 -46.5 -21.3 7.8 3.6 24 29 A N H >< S+ 0 0 79 -4,-1.9 3,-0.6 -5,-0.2 4,-0.4 0.962 118.6 35.9 -46.7 -58.6 -24.0 7.7 0.9 25 30 A Y H >< S+ 0 0 64 -4,-1.7 3,-0.8 1,-0.2 4,-0.2 0.829 113.1 57.6 -72.1 -36.5 -22.7 4.5 -0.6 26 31 A L H >X>S+ 0 0 1 -4,-2.7 3,-1.9 1,-0.2 5,-1.5 0.715 85.0 79.5 -71.2 -18.8 -21.6 2.8 2.6 27 32 A K G X<5S+ 0 0 140 -4,-1.4 3,-1.1 -3,-0.6 -1,-0.2 0.870 86.2 61.4 -56.0 -37.6 -25.0 2.9 4.2 28 33 A E G <45S+ 0 0 157 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.747 112.1 37.8 -59.4 -23.7 -26.0 -0.1 2.2 29 34 A Y G <45S- 0 0 34 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.386 106.5-123.9-108.2 -2.0 -23.2 -2.1 4.0 30 35 A D T <<5 + 0 0 113 -3,-1.1 2,-0.4 -4,-0.7 -3,-0.2 0.891 64.4 144.1 55.9 40.7 -23.6 -0.5 7.4 31 36 A L < - 0 0 15 -5,-1.5 -1,-0.2 -8,-0.1 2,-0.2 -0.880 47.6-138.5-113.7 140.1 -20.0 0.6 7.3 32 37 A T > - 0 0 81 -2,-0.4 4,-2.1 -3,-0.1 5,-0.1 -0.562 34.8-107.4 -81.0 163.8 -18.2 3.7 8.5 33 38 A Y H > S+ 0 0 34 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.904 120.6 49.9 -56.8 -43.7 -15.6 5.2 6.3 34 39 A T H > S+ 0 0 44 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.907 109.0 52.8 -68.0 -33.6 -12.7 4.1 8.5 35 40 A G H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.879 107.3 52.2 -65.8 -37.2 -14.2 0.6 8.5 36 41 A Y H X S+ 0 0 3 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.929 107.2 52.1 -63.0 -49.4 -14.3 0.6 4.7 37 42 A I H X S+ 0 0 7 -4,-2.4 4,-1.2 2,-0.2 -2,-0.2 0.911 109.7 51.3 -49.9 -46.0 -10.6 1.6 4.6 38 43 A V H >X S+ 0 0 0 -4,-2.0 3,-0.7 1,-0.2 4,-0.5 0.947 110.5 45.7 -64.1 -47.8 -9.7 -1.3 6.9 39 44 A L H >< S+ 0 0 0 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.906 109.7 55.6 -59.2 -40.5 -11.6 -3.9 4.8 40 45 A M H 3< S+ 0 0 48 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.762 103.9 57.3 -61.5 -26.2 -10.0 -2.5 1.6 41 46 A A H << S+ 0 0 21 -4,-1.2 2,-0.7 -3,-0.7 -1,-0.3 0.544 90.7 78.9 -84.5 -13.6 -6.6 -3.1 3.3 42 47 A I S << S- 0 0 0 -3,-1.4 -1,-0.1 -4,-0.5 44,-0.0 -0.881 81.9-131.9-101.4 110.0 -7.0 -6.8 3.9 43 48 A E > - 0 0 122 -2,-0.7 3,-1.3 1,-0.1 44,-0.3 -0.165 30.3-100.2 -59.0 156.3 -6.5 -8.9 0.7 44 49 A N T 3 S+ 0 0 60 1,-0.3 43,-0.3 42,-0.1 -1,-0.1 0.854 116.9 21.1 -54.2 -48.9 -9.1 -11.5 -0.1 45 50 A D T 3 S+ 0 0 136 41,-0.1 -1,-0.3 47,-0.0 -2,-0.1 0.422 98.8 124.8-103.3 8.7 -7.4 -14.6 1.2 46 51 A E < - 0 0 46 -3,-1.3 41,-0.6 40,-0.0 2,-0.4 -0.248 42.1-164.1 -70.9 143.1 -4.9 -12.8 3.6 47 52 A K E +A 86 0A 117 39,-0.1 2,-0.3 37,-0.0 39,-0.2 -0.981 23.4 174.5-121.2 121.6 -4.4 -13.4 7.3 48 53 A L E -A 85 0A 6 37,-2.5 37,-3.3 -2,-0.4 2,-0.3 -0.818 33.8-110.6-119.1 158.3 -2.5 -10.6 8.9 49 54 A N E > -A 84 0A 70 -2,-0.3 4,-2.1 35,-0.2 3,-0.4 -0.661 32.1-117.8 -86.6 147.7 -1.5 -9.7 12.4 50 55 A I H > S+ 0 0 19 33,-2.5 4,-2.9 -2,-0.3 5,-0.2 0.864 112.8 59.0 -59.7 -31.1 -3.3 -6.7 13.8 51 56 A K H > S+ 0 0 165 32,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.940 107.8 44.7 -61.0 -48.2 0.0 -4.8 14.2 52 57 A K H > S+ 0 0 101 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.891 112.5 51.3 -62.5 -39.4 0.8 -5.1 10.5 53 58 A L H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 5,-0.2 0.961 107.5 53.8 -62.6 -48.6 -2.8 -4.1 9.6 54 59 A G H X>S+ 0 0 8 -4,-2.9 5,-1.9 1,-0.2 4,-0.7 0.886 107.8 51.4 -46.9 -44.4 -2.4 -1.1 11.9 55 60 A E H ><5S+ 0 0 134 -4,-1.9 3,-0.6 1,-0.2 -1,-0.2 0.913 107.1 52.9 -62.5 -43.1 0.7 -0.2 10.0 56 61 A R H 3<5S+ 0 0 62 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.829 120.3 31.9 -62.8 -32.9 -1.1 -0.4 6.6 57 62 A V H 3<5S- 0 0 0 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.271 106.4-118.6-113.1 8.5 -3.8 1.9 7.6 58 63 A F T <<5 + 0 0 64 -4,-0.7 2,-0.4 -3,-0.6 -3,-0.2 0.852 68.0 132.4 61.0 38.9 -1.9 4.2 10.0 59 64 A L < - 0 0 22 -5,-1.9 -1,-0.2 -6,-0.2 -2,-0.2 -0.959 49.1-137.5-123.3 138.9 -4.0 3.4 13.1 60 65 A D >> - 0 0 108 -2,-0.4 4,-2.9 1,-0.1 3,-1.3 -0.399 36.1-100.4 -82.3 171.1 -2.9 2.4 16.6 61 66 A S H 3> S+ 0 0 85 1,-0.3 4,-2.0 2,-0.2 -1,-0.1 0.766 117.3 70.5 -66.2 -25.7 -4.6 -0.4 18.5 62 67 A G H 34 S+ 0 0 55 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.838 115.7 23.4 -59.0 -34.7 -6.6 2.1 20.5 63 68 A T H <> S+ 0 0 75 -3,-1.3 4,-1.2 2,-0.1 -2,-0.2 0.822 123.5 53.2 -97.6 -42.3 -8.6 2.9 17.4 64 69 A L H X S+ 0 0 1 -4,-2.9 4,-2.6 1,-0.2 -3,-0.2 0.874 101.0 57.5 -67.3 -39.3 -8.2 -0.3 15.4 65 70 A T H X S+ 0 0 45 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.932 107.8 43.7 -63.2 -50.7 -9.2 -2.9 17.9 66 71 A P H > S+ 0 0 61 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.852 114.0 54.6 -60.7 -31.9 -12.8 -1.6 18.6 67 72 A L H X S+ 0 0 20 -4,-1.2 4,-2.6 2,-0.2 -2,-0.2 0.927 107.6 48.3 -67.5 -43.1 -13.2 -1.2 14.9 68 73 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.908 108.3 54.2 -65.6 -40.8 -12.2 -4.8 14.3 69 74 A K H X S+ 0 0 127 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.917 111.3 46.5 -56.3 -43.1 -14.7 -6.0 17.0 70 75 A K H X S+ 0 0 124 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.937 111.1 50.0 -66.7 -48.2 -17.4 -4.0 15.1 71 76 A L H <>S+ 0 0 1 -4,-2.6 5,-2.5 1,-0.2 6,-0.9 0.823 110.5 52.0 -56.9 -35.8 -16.4 -5.4 11.7 72 77 A E H ><5S+ 0 0 76 -4,-2.3 3,-1.6 4,-0.2 -1,-0.2 0.886 106.3 52.5 -67.3 -38.9 -16.5 -8.9 13.3 73 78 A K H 3<5S+ 0 0 162 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.867 106.2 55.7 -64.7 -36.3 -20.0 -8.3 14.6 74 79 A K T 3<5S- 0 0 67 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.353 117.5-115.9 -78.6 6.5 -21.0 -7.3 11.1 75 80 A D T < 5S+ 0 0 93 -3,-1.6 16,-0.4 2,-0.2 15,-0.2 0.799 86.9 110.9 68.6 27.5 -19.7 -10.7 9.8 76 81 A Y S - 0 0 25 -12,-1.7 4,-2.0 -2,-0.2 5,-0.2 -0.291 35.7 -99.2 -71.7 176.0 -15.0 -13.8 6.5 89 100 A E H > S+ 0 0 140 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.893 129.2 51.5 -64.2 -34.3 -16.5 -15.5 3.4 90 101 A Q H > S+ 0 0 101 -15,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.904 107.2 52.0 -71.5 -36.7 -19.1 -12.7 3.4 91 102 A G H 4 S+ 0 0 1 -16,-0.4 4,-0.5 1,-0.2 3,-0.3 0.887 110.1 48.3 -65.4 -37.7 -16.4 -10.1 3.6 92 103 A K H >< S+ 0 0 52 -4,-2.0 3,-0.9 1,-0.2 4,-0.5 0.864 104.9 60.9 -67.9 -34.3 -14.6 -11.6 0.6 93 104 A A H 3< S+ 0 0 76 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.792 109.6 41.4 -65.1 -26.0 -18.0 -11.6 -1.2 94 105 A I T 3X S+ 0 0 21 -4,-1.2 4,-3.1 -3,-0.3 5,-0.2 0.442 84.8 94.6-100.3 2.0 -18.2 -7.8 -1.0 95 106 A K H <> S+ 0 0 19 -3,-0.9 4,-2.3 -4,-0.5 5,-0.2 0.909 88.2 48.7 -60.3 -40.9 -14.6 -6.9 -1.7 96 107 A S H > S+ 0 0 82 -4,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.973 114.3 42.1 -61.4 -58.4 -15.5 -6.4 -5.4 97 108 A P H > S+ 0 0 35 0, 0.0 4,-1.3 0, 0.0 -2,-0.2 0.882 113.8 55.5 -59.1 -40.0 -18.6 -4.1 -4.8 98 109 A L H >X S+ 0 0 0 -4,-3.1 4,-0.9 1,-0.2 3,-0.6 0.938 106.5 48.4 -57.0 -48.1 -16.6 -2.3 -2.1 99 110 A A H >X S+ 0 0 13 -4,-2.3 4,-1.0 -5,-0.2 3,-0.5 0.892 106.2 59.1 -57.0 -37.5 -13.8 -1.5 -4.5 100 111 A E H 3X S+ 0 0 106 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.798 93.5 67.3 -67.1 -26.8 -16.4 -0.3 -7.0 101 112 A I H < S+ 0 0 0 -4,-3.2 3,-0.6 2,-0.2 4,-0.3 0.961 115.6 36.2 -60.6 -62.3 -17.3 8.3 -5.5 106 117 A F H >< S+ 0 0 5 -4,-2.4 3,-1.1 1,-0.2 -1,-0.2 0.807 112.1 65.1 -68.7 -21.8 -14.3 10.0 -7.1 107 118 A N H 3< S+ 0 0 87 -4,-1.5 -1,-0.2 -5,-0.4 4,-0.2 0.907 87.4 67.2 -60.9 -44.2 -16.2 9.7 -10.4 108 119 A E T << S+ 0 0 80 -4,-1.5 -1,-0.3 -3,-0.6 2,-0.2 0.684 91.0 80.6 -59.0 -13.9 -18.9 12.1 -9.0 109 120 A F S < S- 0 0 8 -3,-1.1 2,-1.1 -4,-0.3 156,-0.1 -0.538 92.7-123.2 -81.2 154.6 -16.2 14.6 -9.2 110 121 A N + 0 0 67 151,-0.2 2,-0.4 -2,-0.2 154,-0.2 -0.878 61.5 142.7 -95.5 96.5 -15.5 16.1 -12.6 111 122 A I - 0 0 34 -2,-1.1 -2,-0.1 -4,-0.2 2,-0.0 -0.986 41.5-140.6-143.0 129.4 -11.9 15.1 -12.6 112 123 A S > - 0 0 54 -2,-0.4 4,-2.7 1,-0.1 5,-0.2 -0.281 31.3-106.8 -79.8 173.0 -9.6 13.9 -15.4 113 124 A E H > S+ 0 0 103 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.942 124.1 47.3 -61.7 -45.2 -6.9 11.2 -15.3 114 125 A R H > S+ 0 0 174 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.880 112.1 49.6 -63.4 -39.8 -4.2 13.8 -15.4 115 126 A E H > S+ 0 0 44 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.926 113.0 46.6 -66.0 -43.5 -6.0 15.9 -12.7 116 127 A A H X S+ 0 0 5 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.891 110.8 53.0 -63.1 -40.5 -6.3 12.9 -10.5 117 128 A S H X S+ 0 0 39 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.891 108.2 50.6 -64.4 -40.4 -2.6 11.9 -11.1 118 129 A D H X S+ 0 0 47 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.909 111.6 47.3 -63.9 -42.8 -1.4 15.4 -10.1 119 130 A I H X S+ 0 0 3 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.941 112.4 50.4 -64.1 -45.6 -3.4 15.2 -6.9 120 131 A I H X S+ 0 0 13 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.910 109.9 48.9 -55.7 -49.6 -2.1 11.7 -6.2 121 132 A N H X S+ 0 0 105 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.907 112.3 50.1 -60.3 -41.3 1.5 12.8 -6.7 122 133 A N H X S+ 0 0 28 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.921 117.2 39.0 -56.5 -49.9 1.0 15.9 -4.4 123 134 A L H X S+ 0 0 2 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.811 113.1 53.2 -77.5 -34.1 -0.5 13.8 -1.6 124 135 A R H X S+ 0 0 92 -4,-2.8 4,-2.9 -5,-0.2 5,-0.2 0.914 111.0 49.0 -66.8 -41.7 1.7 10.8 -1.9 125 136 A N H X S+ 0 0 61 -4,-2.0 4,-2.3 -5,-0.3 -2,-0.2 0.969 112.6 47.3 -57.7 -56.2 4.7 13.2 -1.7 126 137 A F H < S+ 0 0 9 -4,-2.3 4,-0.4 1,-0.2 -2,-0.2 0.913 114.2 48.2 -51.4 -46.4 3.1 14.8 1.4 127 138 A V H >X S+ 0 0 6 -4,-2.7 4,-2.3 1,-0.2 3,-1.0 0.913 111.5 47.8 -65.7 -43.2 2.4 11.4 3.0 128 139 A S H 3< S+ 0 0 82 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.853 112.6 49.7 -64.3 -35.2 5.9 9.9 2.4 129 140 A K T 3< S+ 0 0 83 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.537 124.2 27.3 -79.7 -3.2 7.6 13.0 3.8 130 141 A N T <4 0 0 32 -3,-1.0 -2,-0.2 -4,-0.4 -3,-0.1 0.728 360.0 360.0-133.6 -34.3 5.5 13.0 6.9 131 142 A F < 0 0 85 -4,-2.3 -3,-0.1 -5,-0.1 -2,-0.1 0.050 360.0 360.0-124.4 360.0 4.0 9.8 8.3 132 !* 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 0.0 133 3 B G >> 0 0 87 0, 0.0 4,-2.0 0, 0.0 3,-1.5 0.000 360.0 360.0 360.0-167.3 -8.6 0.6 -15.5 134 4 B S H 3>> + 0 0 14 1,-0.3 4,-2.4 2,-0.2 5,-0.5 0.807 360.0 62.2 -62.3 -35.1 -7.7 4.1 -14.5 135 5 B H H 3>5S+ 0 0 115 1,-0.2 4,-0.7 3,-0.2 -1,-0.3 0.852 112.7 39.4 -57.3 -31.9 -11.1 4.9 -12.8 136 6 B M H <>5S+ 0 0 59 -3,-1.5 4,-1.9 2,-0.1 -2,-0.2 0.925 119.0 41.7 -85.2 -44.4 -10.3 2.1 -10.4 137 7 B Y H X5S+ 0 0 135 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.914 117.9 45.4 -75.0 -37.1 -6.6 2.5 -9.7 138 8 B L H X5S+ 0 0 21 -4,-2.4 4,-2.9 -5,-0.2 -1,-0.2 0.884 113.2 50.3 -68.0 -37.5 -6.6 6.3 -9.5 139 9 B S H X< S+ 0 0 63 -4,-1.6 3,-0.6 1,-0.2 4,-0.3 0.866 113.6 57.9 -61.6 -37.7 -3.7 22.7 19.4 161 31 B L H ><>S+ 0 0 0 -4,-3.1 3,-2.0 1,-0.2 5,-1.5 0.764 87.6 74.2 -72.8 -25.6 -7.5 23.1 19.8 162 32 B K H ><5S+ 0 0 146 -4,-1.7 3,-2.6 -3,-0.4 -1,-0.2 0.906 87.6 62.6 -49.2 -47.8 -7.8 21.1 23.1 163 33 B E T <<5S+ 0 0 154 -3,-0.6 -1,-0.3 -4,-0.6 -2,-0.2 0.754 111.2 40.0 -53.7 -23.3 -6.2 24.1 24.9 164 34 B Y T < 5S- 0 0 55 -3,-2.0 -1,-0.3 -4,-0.3 -2,-0.2 0.336 108.7-121.6-105.5 4.2 -9.3 26.0 23.8 165 35 B D T < 5 + 0 0 116 -3,-2.6 2,-0.4 -4,-0.3 -3,-0.2 0.898 68.2 134.8 54.3 38.5 -11.9 23.3 24.3 166 36 B L < - 0 0 11 -5,-1.5 -1,-0.2 -8,-0.1 -2,-0.2 -0.946 51.2-135.8-116.0 143.5 -12.9 23.5 20.6 167 37 B T > - 0 0 80 -2,-0.4 4,-2.3 -3,-0.1 5,-0.1 -0.487 32.1-108.7 -81.1 163.2 -13.5 20.6 18.1 168 38 B Y H > S+ 0 0 19 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.920 120.6 48.0 -57.8 -46.5 -12.0 21.0 14.7 169 39 B T H > S+ 0 0 31 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.895 110.3 53.8 -66.1 -34.6 -15.4 21.5 13.0 170 40 B G H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.928 107.6 50.2 -63.1 -45.0 -16.1 24.1 15.7 171 41 B Y H X S+ 0 0 7 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.926 108.8 52.4 -55.2 -46.4 -12.9 25.9 14.8 172 42 B I H X S+ 0 0 8 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.935 108.8 49.8 -59.8 -45.6 -13.8 25.9 11.1 173 43 B V H X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 3,-0.4 0.948 112.6 46.5 -61.3 -45.2 -17.2 27.4 11.8 174 44 B L H >< S+ 0 0 0 -4,-2.4 3,-0.5 1,-0.3 -1,-0.2 0.915 112.4 50.0 -63.2 -42.5 -15.7 30.2 13.9 175 45 B M H 3< S+ 0 0 52 -4,-3.0 -1,-0.3 1,-0.2 -2,-0.2 0.790 108.2 54.3 -68.7 -25.4 -13.0 30.9 11.4 176 46 B A H 3< S+ 0 0 15 -4,-1.7 2,-0.5 -3,-0.4 -1,-0.2 0.729 90.9 81.7 -81.4 -25.2 -15.6 31.1 8.6 177 47 B I S << S- 0 0 0 -4,-1.3 2,-0.1 -3,-0.5 44,-0.1 -0.729 77.3-140.1 -83.0 123.1 -17.8 33.8 10.3 178 48 B E > - 0 0 57 -2,-0.5 3,-1.5 1,-0.1 44,-0.4 -0.499 17.3-116.4 -84.8 158.6 -16.4 37.3 9.7 179 49 B N T 3 S+ 0 0 70 1,-0.3 43,-0.2 -2,-0.1 -1,-0.1 0.772 113.6 44.4 -67.8 -28.1 -16.5 39.8 12.6 180 50 B D T 3 S+ 0 0 72 41,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.222 100.1 111.0 -94.6 12.2 -18.8 42.3 10.8 181 51 B E < - 0 0 7 -3,-1.5 41,-0.5 333,-0.1 2,-0.4 -0.668 45.5-173.9-108.2 143.5 -21.1 39.5 9.7 182 52 B K - 0 0 112 -2,-0.3 2,-0.3 39,-0.1 39,-0.2 -0.989 24.7-179.3-127.7 123.1 -24.6 38.3 10.4 183 53 B L B -C 220 0B 4 37,-2.9 37,-3.7 -2,-0.4 2,-0.2 -0.874 27.1-127.8-124.0 147.5 -25.4 35.0 8.6 184 54 B N > - 0 0 57 -2,-0.3 4,-2.2 35,-0.2 5,-0.2 -0.648 33.9-114.4 -89.8 158.6 -28.4 32.6 8.3 185 55 B I H > S+ 0 0 41 33,-0.4 4,-2.6 -2,-0.2 5,-0.1 0.812 112.5 56.0 -64.9 -31.0 -27.6 29.0 9.1 186 56 B K H > S+ 0 0 124 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.960 110.3 43.5 -64.0 -51.6 -28.3 27.9 5.5 187 57 B K H > S+ 0 0 54 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.877 113.6 52.4 -62.2 -38.5 -25.8 30.2 3.9 188 58 B L H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.938 108.4 51.2 -62.1 -45.0 -23.3 29.4 6.7 189 59 B G H X>S+ 0 0 9 -4,-2.6 5,-1.7 1,-0.2 4,-0.8 0.892 108.3 51.6 -55.7 -45.1 -23.8 25.7 5.9 190 60 B E H ><5S+ 0 0 108 -4,-2.3 3,-0.5 1,-0.2 -1,-0.2 0.916 109.8 50.9 -57.0 -45.0 -23.2 26.3 2.2 191 61 B R H 3<5S+ 0 0 59 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.851 120.0 32.1 -65.1 -39.7 -19.9 28.1 3.0 192 62 B V H 3<5S- 0 0 0 -4,-2.0 -1,-0.2 2,-0.1 -2,-0.2 0.277 106.0-119.4-105.3 11.9 -18.4 25.4 5.3 193 63 B F T <<5 + 0 0 47 -4,-0.8 2,-0.4 -3,-0.5 -3,-0.2 0.887 66.2 139.0 55.8 41.0 -20.0 22.4 3.5 194 64 B L < - 0 0 13 -5,-1.7 -1,-0.2 -6,-0.2 -2,-0.1 -0.930 51.0-124.8-113.6 148.3 -21.9 21.3 6.5 195 65 B D >> - 0 0 97 -2,-0.4 4,-2.9 1,-0.1 3,-0.6 -0.432 27.5-113.5 -75.8 159.6 -25.5 20.0 6.7 196 66 B S H 3> S+ 0 0 38 1,-0.2 4,-2.8 2,-0.2 -1,-0.1 0.892 116.7 62.0 -61.5 -39.7 -28.0 21.6 9.1 197 67 B G H 34 S+ 0 0 62 1,-0.2 -1,-0.2 2,-0.2 5,-0.1 0.831 113.9 35.5 -54.5 -33.4 -28.1 18.5 11.2 198 68 B T H <> S+ 0 0 68 -3,-0.6 4,-1.3 2,-0.1 -2,-0.2 0.909 118.8 48.3 -85.8 -47.7 -24.4 19.0 11.9 199 69 B L H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.763 103.1 63.1 -68.0 -28.2 -24.3 22.8 12.1 200 70 B T H X S+ 0 0 51 -4,-2.8 4,-1.7 2,-0.2 -1,-0.2 0.952 107.7 36.1 -69.0 -51.5 -27.3 23.2 14.4 201 71 B P H > S+ 0 0 56 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.824 116.3 57.5 -72.9 -24.1 -26.1 21.4 17.5 202 72 B L H X S+ 0 0 21 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.931 105.2 49.1 -65.8 -46.6 -22.6 22.8 16.8 203 73 B L H X S+ 0 0 1 -4,-2.4 4,-1.8 1,-0.2 9,-0.2 0.890 107.6 55.7 -59.8 -38.9 -23.9 26.4 16.8 204 74 B K H X S+ 0 0 113 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.883 108.5 48.1 -59.4 -38.6 -25.7 25.8 20.1 205 75 B K H X S+ 0 0 125 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.878 110.6 49.4 -69.0 -41.6 -22.4 24.7 21.6 206 76 B L H <>S+ 0 0 2 -4,-2.1 5,-2.8 2,-0.2 6,-1.2 0.765 110.6 52.3 -66.9 -26.6 -20.6 27.7 20.3 207 77 B E H ><5S+ 0 0 75 -4,-1.8 3,-2.6 3,-0.2 -2,-0.2 0.949 106.4 51.8 -72.4 -50.3 -23.5 29.8 21.8 208 78 B K H 3<5S+ 0 0 196 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.844 107.7 53.9 -49.8 -39.0 -23.0 28.1 25.2 209 79 B K T 3<5S- 0 0 59 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.397 114.2-122.6 -76.3 2.0 -19.3 29.0 24.8 210 80 B D T < 5S+ 0 0 76 -3,-2.6 16,-0.5 2,-0.2 15,-0.3 0.806 82.2 115.6 58.6 30.9 -20.4 32.7 24.3 211 81 B Y S - 0 0 12 -12,-2.5 4,-2.9 -2,-0.3 5,-0.2 -0.357 35.0-100.2 -80.3 175.2 -19.7 37.8 20.1 224 100 B E H > S+ 0 0 141 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.934 130.3 50.4 -62.3 -39.3 -17.0 40.1 21.3 225 101 B Q H > S+ 0 0 97 -15,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.952 110.3 49.6 -60.8 -48.1 -15.5 37.0 22.9 226 102 B G H > S+ 0 0 0 -16,-0.5 4,-1.2 1,-0.2 -2,-0.2 0.905 111.0 48.5 -54.4 -47.0 -15.8 35.1 19.6 227 103 B K H < S+ 0 0 65 -4,-2.9 4,-0.2 1,-0.2 -1,-0.2 0.883 114.1 48.1 -62.1 -37.5 -14.1 38.0 17.7 228 104 B A H >< S+ 0 0 66 -4,-2.3 3,-1.4 -5,-0.2 -2,-0.2 0.879 107.0 53.9 -71.4 -40.7 -11.3 38.0 20.3 229 105 B I H 3X S+ 0 0 30 -4,-2.8 4,-1.8 1,-0.3 -1,-0.2 0.738 95.2 70.4 -69.0 -21.1 -10.7 34.3 20.3 230 106 B K H 3X S+ 0 0 23 -4,-1.2 4,-1.5 -5,-0.2 -1,-0.3 0.635 84.9 70.8 -69.6 -16.2 -10.2 34.3 16.5 231 107 B S H <> S+ 0 0 83 -3,-1.4 4,-0.8 -4,-0.2 3,-0.3 0.998 109.2 29.4 -61.7 -65.0 -6.9 36.2 17.1 232 108 B P H >> S+ 0 0 30 0, 0.0 3,-0.6 0, 0.0 4,-0.6 0.836 115.5 62.2 -64.3 -33.0 -5.1 33.1 18.6 233 109 B L H >X S+ 0 0 0 -4,-1.8 3,-1.6 1,-0.2 4,-0.6 0.899 96.9 59.3 -61.7 -37.2 -7.1 30.6 16.6 234 110 B A H 3X S+ 0 0 33 -4,-1.5 4,-0.9 -3,-0.3 3,-0.4 0.820 96.5 62.2 -57.8 -34.4 -5.8 32.2 13.3 235 111 B E H X S+ 0 0 6 -4,-2.7 4,-1.3 2,-0.2 3,-0.7 0.927 113.1 47.7 -64.7 -42.8 0.2 23.3 11.6 241 117 B F H >< S+ 0 0 28 -4,-2.3 3,-0.6 1,-0.3 -2,-0.2 0.935 111.2 51.0 -66.4 -45.9 1.7 24.2 8.2 242 118 B N H 3< S+ 0 0 114 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.625 108.1 55.4 -62.3 -15.1 5.0 25.2 9.8 243 119 B E H << S+ 0 0 78 -3,-0.7 -1,-0.2 -4,-0.7 2,-0.2 0.732 95.6 77.3 -93.7 -30.6 5.1 21.8 11.6 244 120 B F S << S- 0 0 18 -4,-1.3 2,-1.3 -3,-0.6 -114,-0.1 -0.573 87.2-116.4 -80.9 147.4 4.6 19.7 8.5 245 121 B N S S+ 0 0 99 -2,-0.2 2,-0.3 -119,-0.1 -116,-0.1 -0.733 71.4 120.4 -77.0 94.7 7.4 18.9 6.0 246 122 B I - 0 0 23 -2,-1.3 2,-0.1 -5,-0.2 -2,-0.1 -0.909 54.3-132.8-162.2 130.8 5.9 20.6 3.0 247 123 B S > - 0 0 50 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.366 26.1-109.0 -85.7 167.4 7.5 23.5 1.1 248 124 B E H > S+ 0 0 145 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.895 122.0 48.2 -59.7 -38.7 5.9 26.7 -0.1 249 125 B R H > S+ 0 0 204 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.884 110.5 50.5 -69.6 -36.1 6.0 25.4 -3.7 250 126 B E H > S+ 0 0 42 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.900 110.8 49.2 -68.1 -42.5 4.4 22.1 -2.7 251 127 B A H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.888 108.1 54.8 -56.8 -46.6 1.6 23.9 -0.8 252 128 B S H X S+ 0 0 46 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.896 108.8 47.7 -55.8 -45.3 1.0 26.1 -3.8 253 129 B D H X S+ 0 0 66 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.900 111.9 48.9 -64.4 -45.7 0.5 23.1 -6.1 254 130 B I H X S+ 0 0 5 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.934 111.4 51.0 -59.9 -45.0 -1.8 21.4 -3.6 255 131 B I H X S+ 0 0 7 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.974 111.4 47.0 -56.8 -58.6 -3.8 24.6 -3.4 256 132 B N H X S+ 0 0 44 -4,-2.7 4,-1.8 1,-0.2 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111.2 46.6 -60.9 -46.5 -25.3 43.0 -14.4 420 22 D E H X S+ 0 0 28 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.844 113.5 48.2 -69.3 -34.2 -27.3 43.1 -11.2 421 23 D I H X S+ 0 0 10 -4,-2.0 4,-1.7 -5,-0.2 3,-0.3 0.936 113.8 45.8 -66.5 -48.6 -25.5 46.1 -9.8 422 24 D I H X S+ 0 0 33 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.883 108.9 58.5 -62.5 -37.4 -25.8 48.0 -13.0 423 25 D K H X S+ 0 0 66 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.2 0.852 103.4 51.8 -61.6 -37.8 -29.4 47.0 -13.2 424 26 D K H X S+ 0 0 39 -4,-1.4 4,-1.6 -3,-0.3 -1,-0.2 0.935 110.9 46.2 -65.5 -45.3 -30.1 48.6 -9.9 425 27 D Y H X S+ 0 0 1 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.922 110.5 55.6 -58.4 -44.3 -28.5 51.9 -11.0 426 28 D T H X S+ 0 0 50 -4,-2.8 4,-1.0 1,-0.2 -1,-0.2 0.886 103.0 54.9 -59.0 -38.5 -30.5 51.6 -14.2 427 29 D N H < S+ 0 0 82 -4,-2.0 3,-0.4 1,-0.2 4,-0.4 0.901 111.9 42.9 -58.1 -46.4 -33.8 51.3 -12.2 428 30 D Y H >< S+ 0 0 70 -4,-1.6 3,-0.7 1,-0.2 4,-0.3 0.774 108.1 60.9 -71.0 -28.9 -33.1 54.6 -10.3 429 31 D L H ><>S+ 0 0 0 -4,-2.0 5,-1.8 1,-0.2 3,-1.4 0.683 83.0 78.9 -78.1 -17.6 -31.9 56.3 -13.5 430 32 D K G ><5S+ 0 0 146 -4,-1.0 3,-1.5 -3,-0.4 -1,-0.2 0.886 86.3 60.9 -50.9 -41.4 -35.2 55.9 -15.2 431 33 D E G < 5S+ 0 0 157 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.2 0.787 110.8 41.8 -55.3 -29.0 -36.5 58.9 -13.2 432 34 D Y G < 5S- 0 0 36 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.332 108.5-119.6-101.6 0.2 -33.8 60.9 -15.0 433 35 D D T < 5 + 0 0 112 -3,-1.5 2,-0.4 -4,-0.5 -3,-0.2 0.961 68.8 143.1 55.3 46.8 -34.1 59.5 -18.5 434 36 D L < - 0 0 12 -5,-1.8 -1,-0.2 -8,-0.2 2,-0.2 -0.961 47.8-142.0-123.0 141.0 -30.5 58.4 -18.1 435 37 D T > - 0 0 79 -2,-0.4 4,-2.1 -3,-0.1 5,-0.2 -0.533 36.7-107.0 -86.3 164.4 -28.6 55.3 -19.3 436 38 D Y H > S+ 0 0 17 1,-0.2 4,-2.3 2,-0.2 3,-0.2 0.956 122.0 47.8 -58.0 -47.5 -26.0 53.8 -16.9 437 39 D T H > S+ 0 0 50 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.879 108.1 54.3 -62.9 -37.0 -23.1 55.2 -19.1 438 40 D G H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.891 108.5 50.9 -62.6 -37.2 -24.7 58.7 -19.4 439 41 D Y H X S+ 0 0 6 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.947 107.2 51.9 -61.5 -53.9 -24.8 58.7 -15.5 440 42 D I H X S+ 0 0 10 -4,-2.3 4,-1.0 1,-0.2 -2,-0.2 0.889 110.2 50.6 -50.7 -43.9 -21.1 57.8 -15.3 441 43 D V H >< S+ 0 0 0 -4,-2.1 3,-0.7 2,-0.2 4,-0.5 0.935 110.2 48.2 -61.9 -50.2 -20.3 60.6 -17.7 442 44 D L H >< S+ 0 0 2 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.899 108.0 54.9 -53.9 -43.5 -22.3 63.1 -15.6 443 45 D M H 3< S+ 0 0 41 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.794 102.8 59.1 -64.1 -21.9 -20.6 62.0 -12.4 444 46 D A T << S+ 0 0 18 -4,-1.0 2,-0.6 -3,-0.7 -1,-0.2 0.534 89.1 80.0 -86.3 -11.9 -17.2 62.7 -14.0 445 47 D I S < S- 0 0 0 -3,-1.3 2,-0.1 -4,-0.5 43,-0.1 -0.895 82.0-132.9 -97.6 121.9 -17.8 66.3 -14.7 446 48 D E > - 0 0 114 -2,-0.6 3,-2.5 1,-0.1 43,-0.4 -0.469 29.8-100.2 -78.3 154.2 -17.3 68.4 -11.6 447 49 D N T 3 S+ 0 0 64 1,-0.3 42,-0.2 -2,-0.1 47,-0.1 0.767 115.9 20.4 -47.2 -42.4 -20.0 70.9 -10.7 448 50 D D T 3 S+ 0 0 139 40,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.233 96.8 123.2-112.8 12.4 -18.2 74.0 -12.1 449 51 D E < - 0 0 53 -3,-2.5 2,-0.5 1,-0.0 40,-0.5 -0.512 46.8-153.8 -94.2 140.0 -15.7 72.5 -14.4 450 52 D K - 0 0 122 -2,-0.2 2,-0.4 38,-0.1 38,-0.2 -0.972 29.0-177.4-106.0 124.0 -15.1 73.1 -18.2 451 53 D L E -G 487 0D 3 36,-2.8 36,-3.5 -2,-0.5 2,-0.2 -0.952 27.3-122.0-134.5 131.8 -13.5 70.0 -19.6 452 54 D N E > -G 486 0D 35 -2,-0.4 4,-2.6 34,-0.2 34,-0.2 -0.484 28.1-122.6 -71.4 145.2 -12.2 69.0 -23.0 453 55 D I H > S+ 0 0 27 32,-1.4 4,-2.7 2,-0.2 5,-0.1 0.783 112.1 53.9 -60.0 -34.5 -13.8 65.8 -24.5 454 56 D K H > S+ 0 0 136 2,-0.2 4,-1.8 31,-0.2 -1,-0.2 0.939 111.6 47.3 -64.4 -47.0 -10.4 64.0 -24.9 455 57 D K H > S+ 0 0 116 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.890 111.5 50.3 -56.5 -44.5 -9.9 64.7 -21.1 456 58 D L H X S+ 0 0 0 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.916 108.4 52.8 -63.4 -43.7 -13.5 63.5 -20.4 457 59 D G H X>S+ 0 0 4 -4,-2.7 5,-2.3 1,-0.2 4,-0.6 0.856 106.2 52.4 -61.2 -36.4 -12.9 60.3 -22.3 458 60 D E H ><5S+ 0 0 146 -4,-1.8 3,-0.7 3,-0.2 -1,-0.2 0.909 107.3 53.9 -62.2 -41.7 -9.8 59.5 -20.4 459 61 D R H 3<5S+ 0 0 97 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.856 120.7 30.2 -61.5 -36.8 -11.7 59.9 -17.2 460 62 D V H 3<5S- 0 0 0 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.275 108.0-117.0-110.1 11.5 -14.4 57.5 -18.2 461 63 D F T <<5S+ 0 0 62 -3,-0.7 2,-0.4 -4,-0.6 -3,-0.2 0.879 70.4 131.4 55.0 41.2 -12.3 55.2 -20.5 462 64 D L < - 0 0 14 -5,-2.3 -1,-0.2 -6,-0.1 -2,-0.2 -0.969 50.8-135.6-121.1 144.2 -14.3 56.0 -23.6 463 65 D D > - 0 0 107 -2,-0.4 4,-2.0 -3,-0.1 3,-0.5 -0.302 36.1 -98.6 -83.5 177.4 -13.0 57.1 -27.1 464 66 D S H > S+ 0 0 39 1,-0.2 4,-2.4 2,-0.2 -1,-0.1 0.831 117.8 59.3 -76.5 -31.5 -14.6 59.9 -29.0 465 67 D G H 4 S+ 0 0 55 1,-0.2 -1,-0.2 2,-0.2 -3,-0.0 0.815 113.3 41.3 -61.0 -31.1 -16.9 57.9 -31.3 466 68 D T H > S+ 0 0 68 -3,-0.5 4,-0.9 2,-0.1 -2,-0.2 0.858 115.8 47.7 -87.0 -38.3 -18.6 56.5 -28.1 467 69 D L H X S+ 0 0 0 -4,-2.0 4,-3.6 1,-0.2 5,-0.3 0.846 99.2 71.3 -68.5 -33.5 -18.7 59.8 -26.2 468 70 D T H X S+ 0 0 55 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.879 101.1 39.4 -55.4 -53.5 -20.1 61.8 -29.1 469 71 D P H 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-20.9 479 81 D Y S - 0 0 18 -11,-2.1 4,-2.0 1,-0.1 5,-0.2 -0.387 37.3 -96.8 -79.3 177.1 -25.9 73.2 -17.4 491 100 D E H > S+ 0 0 142 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.897 129.6 52.5 -61.1 -35.8 -27.6 74.6 -14.3 492 101 D Q H > S+ 0 0 91 -14,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.910 105.7 52.4 -69.7 -39.0 -29.9 71.7 -14.5 493 102 D G H > S+ 0 0 2 -15,-0.3 4,-0.8 1,-0.2 3,-0.5 0.898 109.8 49.2 -58.8 -45.5 -27.1 69.2 -14.6 494 103 D K H >X S+ 0 0 48 -4,-2.0 3,-0.6 1,-0.2 4,-0.5 0.886 106.0 58.6 -58.9 -37.7 -25.5 70.8 -11.5 495 104 D A H 3< S+ 0 0 72 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.794 108.8 43.8 -68.4 -25.2 -28.9 70.6 -9.8 496 105 D I H 3X S+ 0 0 19 -4,-1.1 4,-3.0 -3,-0.5 5,-0.3 0.604 86.3 91.7 -97.3 -6.7 -29.1 66.8 -10.2 497 106 D K H S+ 0 0 36 0, 0.0 4,-1.6 0, 0.0 -2,-0.2 0.909 112.7 57.4 -60.3 -37.2 -29.4 63.2 -6.0 500 109 D L H >X S+ 0 0 1 -4,-3.0 4,-0.7 1,-0.2 3,-0.6 0.956 108.5 46.1 -55.7 -48.7 -27.4 61.3 -8.7 501 110 D A H >X S+ 0 0 13 -4,-2.5 3,-1.6 -5,-0.3 4,-0.8 0.921 106.9 58.6 -55.2 -44.1 -24.6 60.7 -6.2 502 111 D E H 3X S+ 0 0 89 -4,-2.2 4,-2.2 1,-0.3 3,-0.3 0.782 89.4 72.7 -67.2 -21.2 -27.2 59.6 -3.7 503 112 D I H X S+ 0 0 2 -4,-2.7 3,-1.2 2,-0.2 4,-0.8 0.952 112.3 51.4 -63.6 -47.6 -28.1 50.9 -4.6 508 117 D F H >< S+ 0 0 7 -4,-2.5 3,-1.2 1,-0.3 -2,-0.2 0.915 106.6 53.9 -55.8 -44.4 -25.6 50.0 -1.8 509 118 D N H 3< S+ 0 0 96 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.700 100.1 63.1 -69.0 -16.4 -28.4 49.8 0.8 510 119 D E H << S+ 0 0 82 -3,-1.2 -1,-0.3 -4,-0.8 2,-0.2 0.777 96.4 69.2 -75.1 -24.2 -30.3 47.4 -1.4 511 120 D F S << S- 0 0 22 -3,-1.2 2,-1.2 -4,-0.8 -111,-0.1 -0.605 83.8-123.2 -95.4 151.2 -27.6 44.7 -1.3 512 121 D N + 0 0 84 -2,-0.2 2,-0.3 -116,-0.2 -113,-0.1 -0.836 65.6 131.4 -85.8 97.8 -26.5 42.6 1.7 513 122 D I - 0 0 17 -2,-1.2 2,-0.1 -5,-0.2 -2,-0.1 -0.934 44.3-145.5-155.6 127.8 -22.9 43.7 1.5 514 123 D S > - 0 0 25 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.404 31.4-104.9 -91.8 170.3 -20.6 44.9 4.3 515 124 D E H > S+ 0 0 105 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.912 122.7 49.1 -55.2 -43.7 -17.9 47.5 4.3 516 125 D R H > S+ 0 0 72 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.913 112.1 47.4 -65.6 -43.9 -15.2 44.8 4.4 517 126 D E H > S+ 0 0 14 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.892 113.9 47.3 -65.0 -42.5 -16.9 42.8 1.5 518 127 D A H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.909 111.8 51.1 -64.1 -45.0 -17.2 45.9 -0.6 519 128 D S H X S+ 0 0 42 -4,-2.5 4,-2.8 -5,-0.2 -2,-0.2 0.899 108.3 51.3 -59.7 -43.8 -13.6 46.9 0.1 520 129 D D H X S+ 0 0 61 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.946 112.4 45.9 -62.0 -47.2 -12.2 43.5 -0.9 521 130 D I H X S+ 0 0 6 -4,-1.9 4,-2.5 1,-0.2 5,-0.3 0.910 112.4 51.3 -60.7 -42.0 -14.1 43.5 -4.2 522 131 D I H X S+ 0 0 12 -4,-2.6 4,-3.0 2,-0.2 5,-0.3 0.920 109.4 49.9 -60.3 -45.3 -13.0 47.1 -4.9 523 132 D N H X S+ 0 0 103 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.932 112.3 48.8 -62.1 -41.7 -9.4 46.1 -4.2 524 133 D N H X S+ 0 0 27 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.923 117.5 39.5 -57.1 -47.4 -9.8 43.1 -6.6 525 134 D L H X S+ 0 0 3 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.842 112.6 55.0 -79.4 -31.7 -11.3 45.2 -9.4 526 135 D R H X S+ 0 0 91 -4,-3.0 4,-2.7 -5,-0.3 -1,-0.2 0.923 110.4 47.6 -67.1 -40.4 -9.0 48.2 -8.8 527 136 D N H X S+ 0 0 64 -4,-2.1 4,-2.0 -5,-0.3 -2,-0.2 0.940 112.7 49.1 -62.6 -45.1 -6.0 45.8 -9.2 528 137 D F H X S+ 0 0 15 -4,-2.0 4,-0.7 1,-0.2 3,-0.3 0.960 114.1 44.6 -61.7 -53.6 -7.5 44.4 -12.4 529 138 D V H >X S+ 0 0 5 -4,-2.9 4,-2.8 1,-0.2 3,-1.1 0.903 111.7 53.0 -54.4 -49.2 -8.3 47.8 -13.9 530 139 D S H 3< S+ 0 0 78 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.837 111.8 45.6 -57.0 -37.5 -4.8 49.2 -13.0 531 140 D K H 3< S+ 0 0 84 -4,-2.0 -1,-0.3 -3,-0.3 -2,-0.2 0.598 125.9 28.5 -84.3 -8.0 -3.1 46.2 -14.7 532 141 D N H << 0 0 37 -3,-1.1 -2,-0.2 -4,-0.7 -3,-0.2 0.745 360.0 360.0-125.3 -32.3 -5.2 46.4 -17.8 533 142 D F < 0 0 89 -4,-2.8 -3,-0.2 -5,-0.2 -4,-0.1 0.428 360.0 360.0-121.3 360.0 -6.7 49.7 -18.9