==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE, LIGASE/DNA 06-NOV-01 1KBU . COMPND 2 MOLECULE: LOXP; . SOURCE 2 SYNTHETIC: YES; . AUTHOR S.S.MARTIN,E.PULIDO,V.C.CHU,T.LECHNER,E.P.BALDWIN . 643 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34643.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 419 65.2 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 . 23 3.6 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 0.5 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 . 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 . 18 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 280 43.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.9 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 3 2 0 1 0 0 2 3 4 2 2 5 0 0 1 0 1 0 0 0 0 0 0 0 0 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 . 5 0 2 1 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 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 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 18 A A 0 0 74 0, 0.0 5,-0.2 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 24.4 35.3 51.6 103.6 2 19 A T >> - 0 0 81 3,-0.1 4,-2.4 1,-0.1 3,-0.9 0.856 360.0-120.9 56.2 117.7 32.7 49.1 104.9 3 20 A S H 3> S+ 0 0 87 1,-0.3 4,-2.0 2,-0.2 -1,-0.1 0.678 112.6 57.7 -59.5 -17.4 33.3 47.1 108.0 4 21 A D H 3> S+ 0 0 126 2,-0.2 4,-1.6 3,-0.2 -1,-0.3 0.841 107.9 46.5 -80.7 -34.3 33.0 43.8 106.0 5 22 A E H <> S+ 0 0 105 -3,-0.9 4,-2.8 -4,-0.2 -2,-0.2 0.930 114.0 49.1 -68.6 -46.1 35.8 44.9 103.7 6 23 A V H X S+ 0 0 16 -4,-2.4 4,-3.1 -5,-0.2 5,-0.2 0.932 109.3 50.9 -57.9 -49.3 37.9 46.0 106.7 7 24 A R H X S+ 0 0 153 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.859 112.3 47.9 -59.8 -35.1 37.2 42.7 108.6 8 25 A K H X S+ 0 0 82 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.915 111.7 50.2 -70.0 -44.6 38.4 40.8 105.4 9 26 A N H X S+ 0 0 27 -4,-2.8 4,-2.2 76,-0.3 -2,-0.2 0.916 110.3 49.6 -58.9 -44.9 41.5 43.1 105.2 10 27 A L H X S+ 0 0 62 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.868 110.9 48.6 -66.4 -34.8 42.4 42.4 108.9 11 28 A M H X S+ 0 0 123 -4,-1.7 4,-2.5 -5,-0.2 -1,-0.2 0.853 108.5 55.1 -70.0 -34.1 42.0 38.6 108.4 12 29 A D H X S+ 0 0 7 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.948 108.4 50.0 -60.0 -48.3 44.2 39.0 105.3 13 30 A M H < S+ 0 0 14 -4,-2.2 6,-0.2 1,-0.2 -2,-0.2 0.903 114.1 42.4 -57.5 -46.6 46.8 40.7 107.6 14 31 A F H >< S+ 0 0 135 -4,-2.0 3,-1.0 1,-0.2 -1,-0.2 0.843 111.3 55.3 -72.7 -32.1 46.8 38.0 110.2 15 32 A R H 3< S+ 0 0 76 -4,-2.5 3,-0.2 1,-0.3 -1,-0.2 0.856 119.9 31.4 -67.8 -39.2 46.7 35.2 107.7 16 33 A D T >< S+ 0 0 0 -4,-2.0 3,-0.9 -5,-0.2 -1,-0.3 -0.432 76.8 132.9-114.9 51.8 49.9 36.4 106.0 17 34 A R G X + 0 0 112 -3,-1.0 3,-2.0 1,-0.3 -1,-0.2 0.766 61.7 74.4 -71.8 -25.8 51.5 37.9 109.1 18 35 A Q G 3 S+ 0 0 102 1,-0.3 -1,-0.3 -3,-0.2 412,-0.1 0.229 72.9 86.7 -68.7 11.5 54.7 36.2 108.1 19 36 A A G < S+ 0 0 0 -3,-0.9 -1,-0.3 -6,-0.2 2,-0.3 0.660 92.8 46.7 -84.0 -20.0 54.9 38.9 105.5 20 37 A F S < S- 0 0 29 -3,-2.0 2,-0.1 -4,-0.1 402,-0.0 -0.794 93.2-101.8-122.3 161.4 56.6 41.0 108.1 21 38 A S > - 0 0 37 -2,-0.3 4,-1.7 1,-0.1 3,-0.3 -0.469 33.1-120.7 -74.8 154.0 59.4 40.6 110.6 22 39 A E H > S+ 0 0 151 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.799 115.7 61.4 -68.4 -23.5 58.2 40.0 114.2 23 40 A H H > S+ 0 0 155 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.868 103.5 50.4 -65.8 -38.4 60.1 43.2 115.1 24 41 A T H > S+ 0 0 46 -3,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.914 110.3 47.9 -65.1 -46.1 57.8 45.1 112.7 25 42 A W H X S+ 0 0 44 -4,-1.7 4,-3.3 2,-0.2 5,-0.3 0.903 108.7 55.7 -61.3 -43.3 54.7 43.6 114.3 26 43 A K H X S+ 0 0 123 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.942 110.0 45.0 -56.0 -48.5 56.1 44.5 117.7 27 44 A M H X S+ 0 0 76 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.925 112.9 51.2 -63.6 -42.5 56.5 48.1 116.6 28 45 A L H X S+ 0 0 5 -4,-2.6 4,-2.2 2,-0.2 5,-0.2 0.967 111.8 46.4 -57.9 -54.2 53.0 48.1 115.0 29 46 A L H X S+ 0 0 70 -4,-3.3 4,-2.6 1,-0.2 -1,-0.2 0.921 111.8 53.0 -53.4 -45.0 51.4 46.7 118.2 30 47 A S H X S+ 0 0 46 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.911 109.0 47.3 -58.8 -46.9 53.3 49.2 120.3 31 48 A V H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.895 111.9 50.9 -64.7 -38.8 52.1 52.3 118.3 32 49 A C H X S+ 0 0 19 -4,-2.2 4,-3.7 2,-0.2 5,-0.3 0.926 108.5 51.3 -63.4 -47.0 48.5 51.1 118.3 33 50 A R H X S+ 0 0 159 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.933 114.1 44.6 -56.4 -46.3 48.6 50.6 122.1 34 51 A S H X S+ 0 0 37 -4,-2.2 4,-1.6 -5,-0.2 -2,-0.2 0.916 116.1 45.8 -65.0 -43.6 50.0 54.1 122.5 35 52 A W H X S+ 0 0 0 -4,-2.9 4,-1.5 2,-0.2 -2,-0.2 0.899 113.9 49.6 -65.1 -42.1 47.5 55.6 120.0 36 53 A A H X S+ 0 0 31 -4,-3.7 4,-2.2 2,-0.2 -2,-0.2 0.891 110.4 49.2 -62.5 -45.4 44.5 53.6 121.6 37 54 A A H X S+ 0 0 60 -4,-2.3 4,-2.7 -5,-0.3 -1,-0.2 0.841 112.2 48.2 -65.7 -35.5 45.3 54.7 125.2 38 55 A W H X S+ 0 0 11 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.785 110.4 51.6 -75.2 -32.6 45.6 58.4 124.1 39 56 A C H X>S+ 0 0 1 -4,-1.5 5,-3.5 2,-0.2 4,-0.6 0.895 113.0 45.4 -71.1 -40.6 42.4 58.2 122.2 40 57 A K H ><5S+ 0 0 173 -4,-2.2 3,-2.4 3,-0.2 -2,-0.2 0.999 114.9 47.3 -60.8 -65.1 40.7 56.7 125.3 41 58 A L H 3<5S+ 0 0 123 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.833 121.0 38.0 -41.7 -47.9 42.3 59.3 127.6 42 59 A N H 3<5S- 0 0 61 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.400 113.0-115.4 -93.6 4.9 41.3 62.1 125.2 43 60 A N T <<5 + 0 0 146 -3,-2.4 2,-0.3 -4,-0.6 -3,-0.2 0.942 68.3 132.7 63.8 52.3 37.9 60.7 124.2 44 61 A R < - 0 0 69 -5,-3.5 2,-0.4 -8,-0.2 -1,-0.2 -0.887 60.6-106.1-126.8 161.6 38.6 60.0 120.5 45 62 A K - 0 0 152 -2,-0.3 5,-0.5 1,-0.1 8,-0.1 -0.703 22.3-160.4 -88.7 134.2 37.9 57.0 118.3 46 63 A W + 0 0 101 -2,-0.4 3,-0.3 1,-0.2 -1,-0.1 0.618 64.2 74.8 -93.8 -9.6 41.0 55.0 117.5 47 64 A F S S+ 0 0 59 1,-0.5 -1,-0.2 -11,-0.1 2,-0.1 -0.859 103.2 19.3-154.1 114.1 39.8 53.1 114.4 48 65 A P S S- 0 0 76 0, 0.0 -1,-0.5 0, 0.0 2,-0.3 0.540 98.8-132.8 -80.9 158.3 39.5 54.5 111.9 49 66 A A - 0 0 11 -3,-0.3 -3,-0.1 39,-0.1 -2,-0.0 -0.566 11.8-140.3 -78.5 129.1 41.7 57.4 112.8 50 67 A E >> - 0 0 102 -5,-0.5 4,-2.7 -2,-0.3 3,-0.6 -0.713 16.2-126.7 -88.9 136.5 40.5 60.9 112.0 51 68 A P H 3> S+ 0 0 37 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.877 109.5 50.1 -47.1 -49.8 43.0 63.4 110.7 52 69 A E H 3> S+ 0 0 90 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.887 113.6 48.1 -60.2 -35.0 42.3 66.1 113.3 53 70 A D H <> S+ 0 0 25 -3,-0.6 4,-1.5 2,-0.2 -1,-0.2 0.867 111.4 48.2 -71.6 -39.6 42.7 63.4 116.0 54 71 A V H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.854 110.4 53.4 -70.3 -31.4 45.9 62.0 114.5 55 72 A R H X S+ 0 0 68 -4,-2.5 4,-1.6 -5,-0.3 -2,-0.2 0.893 107.5 50.0 -68.7 -39.8 47.2 65.6 114.3 56 73 A D H X S+ 0 0 54 -4,-1.8 4,-1.5 -5,-0.2 -1,-0.2 0.847 111.3 50.8 -65.8 -32.9 46.5 66.2 117.9 57 74 A Y H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.864 106.4 52.4 -72.9 -38.6 48.4 63.0 118.7 58 75 A L H X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.840 111.3 48.0 -68.3 -31.1 51.5 63.9 116.7 59 76 A L H X S+ 0 0 33 -4,-1.6 4,-2.8 2,-0.2 -1,-0.2 0.864 108.9 53.7 -74.5 -35.4 51.6 67.1 118.6 60 77 A Y H X S+ 0 0 91 -4,-1.5 4,-1.1 1,-0.2 -2,-0.2 0.914 108.6 50.4 -63.0 -40.8 51.2 65.2 121.9 61 78 A L H <>S+ 0 0 0 -4,-2.4 5,-1.8 1,-0.2 -1,-0.2 0.868 112.2 46.4 -65.5 -38.5 54.1 63.0 120.8 62 79 A Q H ><5S+ 0 0 33 -4,-1.6 3,-2.4 1,-0.2 -2,-0.2 0.907 109.3 53.1 -70.1 -42.7 56.3 66.1 120.1 63 80 A A H 3<5S+ 0 0 88 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.756 101.3 63.2 -62.5 -24.5 55.3 67.8 123.4 64 81 A R T 3<5S- 0 0 141 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.500 119.0-116.2 -77.2 -5.0 56.4 64.6 124.9 65 82 A G T < 5 + 0 0 66 -3,-2.4 -3,-0.2 1,-0.2 2,-0.2 0.802 58.8 159.0 75.5 29.5 59.9 65.4 123.6 66 83 A L < - 0 0 36 -5,-1.8 -1,-0.2 1,-0.1 2,-0.1 -0.511 46.8 -93.6 -85.1 157.1 60.1 62.4 121.2 67 84 A A >> - 0 0 43 -2,-0.2 3,-2.8 1,-0.1 4,-2.2 -0.392 27.1-119.5 -68.6 141.7 62.4 62.4 118.2 68 85 A V H 3> S+ 0 0 0 1,-0.3 4,-1.4 2,-0.2 -1,-0.1 0.795 118.4 54.4 -49.0 -28.6 61.2 63.6 114.9 69 86 A K H 3> S+ 0 0 110 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.683 106.3 51.4 -80.4 -18.1 62.1 60.1 113.7 70 87 A T H <> S+ 0 0 49 -3,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.900 107.1 50.2 -84.2 -42.0 59.9 58.6 116.4 71 88 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 5,-0.3 0.902 109.2 56.0 -60.7 -35.2 56.9 60.6 115.6 72 89 A Q H X S+ 0 0 71 -4,-1.4 4,-3.2 -5,-0.3 -1,-0.2 0.933 103.2 52.7 -59.4 -49.5 57.5 59.4 112.0 73 90 A Q H X S+ 0 0 77 -4,-1.3 4,-3.0 2,-0.2 5,-0.2 0.906 110.5 48.8 -55.3 -42.9 57.4 55.8 113.1 74 91 A H H X S+ 0 0 20 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.993 114.7 40.8 -61.3 -62.4 54.0 56.4 114.8 75 92 A L H X S+ 0 0 10 -4,-2.3 4,-3.5 1,-0.2 5,-0.2 0.912 116.2 56.9 -48.9 -44.6 52.3 58.2 111.9 76 93 A G H X S+ 0 0 30 -4,-3.2 4,-1.6 -5,-0.3 -1,-0.2 0.919 108.1 41.5 -55.0 -54.1 54.1 55.5 109.8 77 94 A Q H X S+ 0 0 13 -4,-3.0 4,-3.2 2,-0.2 -1,-0.2 0.929 115.8 51.4 -64.8 -40.9 52.6 52.5 111.5 78 95 A L H X S+ 0 0 1 -4,-2.8 4,-2.4 1,-0.2 5,-0.3 0.957 107.4 53.3 -57.3 -50.1 49.2 54.2 111.7 79 96 A N H X S+ 0 0 8 -4,-3.5 4,-1.8 -5,-0.2 -1,-0.2 0.832 112.8 44.8 -53.0 -37.4 49.4 54.9 107.9 80 97 A M H X S+ 0 0 19 -4,-1.6 4,-3.1 2,-0.2 -2,-0.2 0.922 107.0 56.7 -75.5 -45.5 50.1 51.2 107.3 81 98 A L H < S+ 0 0 15 -4,-3.2 -2,-0.2 1,-0.2 6,-0.2 0.921 117.3 37.2 -51.4 -42.9 47.4 49.9 109.7 82 99 A H H >X>S+ 0 0 1 -4,-2.4 5,-1.7 -5,-0.2 3,-1.0 0.831 114.8 53.1 -79.5 -32.8 44.9 52.0 107.6 83 100 A R H 3<5S+ 0 0 128 -4,-1.8 3,-0.2 -5,-0.3 -2,-0.2 0.888 113.3 44.5 -68.5 -39.3 46.5 51.4 104.2 84 101 A R T 3<5S+ 0 0 41 -4,-3.1 -1,-0.3 1,-0.2 -71,-0.2 0.054 113.3 51.2 -93.9 20.6 46.4 47.6 104.8 85 102 A S T <45S- 0 0 0 -3,-1.0 -76,-0.3 2,-0.2 -1,-0.2 0.423 116.2-107.4-129.3 -12.9 42.9 47.7 106.1 86 103 A G T <5S+ 0 0 43 -4,-1.0 -3,-0.2 1,-0.4 -4,-0.1 0.409 78.8 120.0 103.5 -1.5 41.3 49.7 103.2 87 104 A L S - 0 0 67 1,-0.1 3,-0.9 -2,-0.1 -10,-0.1 -0.434 12.0-129.4 -74.3 151.5 45.8 56.9 105.5 90 107 A P G > S+ 0 0 2 0, 0.0 3,-2.2 0, 0.0 6,-0.3 0.848 107.5 66.3 -68.9 -33.3 46.1 59.8 107.9 91 108 A S G 3 S+ 0 0 29 1,-0.3 6,-0.1 -16,-0.2 -15,-0.0 0.675 89.0 70.1 -62.6 -13.9 49.2 61.1 105.9 92 109 A D G < S+ 0 0 109 -3,-0.9 2,-0.5 4,-0.1 -1,-0.3 0.360 82.0 91.6 -87.3 7.6 46.7 61.7 103.2 93 110 A S S X> S- 0 0 19 -3,-2.2 4,-2.7 1,-0.2 3,-0.8 -0.899 76.2-134.9-109.1 131.0 45.1 64.6 105.0 94 111 A N H 3> S+ 0 0 122 -2,-0.5 4,-3.3 1,-0.3 5,-0.3 0.910 107.0 51.9 -40.1 -58.6 46.3 68.2 104.7 95 112 A A H 3> S+ 0 0 21 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.833 112.4 44.5 -52.7 -38.4 46.2 68.7 108.4 96 113 A V H <> S+ 0 0 0 -3,-0.8 4,-1.6 -6,-0.3 -1,-0.2 0.881 115.3 47.9 -75.1 -36.5 48.4 65.6 109.1 97 114 A S H X S+ 0 0 54 -4,-2.7 4,-1.7 -7,-0.2 -2,-0.2 0.924 113.8 47.4 -66.9 -46.9 50.8 66.5 106.3 98 115 A L H X S+ 0 0 87 -4,-3.3 4,-2.5 -5,-0.3 -2,-0.2 0.911 111.4 49.4 -61.5 -47.8 51.2 70.1 107.4 99 116 A V H X S+ 0 0 3 -4,-1.8 4,-3.0 -5,-0.3 5,-0.2 0.887 108.5 52.0 -63.0 -38.7 51.7 69.3 111.1 100 117 A M H X S+ 0 0 21 -4,-1.6 4,-2.7 2,-0.2 -1,-0.2 0.920 111.8 49.2 -61.3 -44.6 54.4 66.6 110.4 101 118 A R H X S+ 0 0 188 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.944 114.5 42.6 -59.1 -55.3 56.2 69.3 108.3 102 119 A R H X S+ 0 0 105 -4,-2.5 4,-3.8 2,-0.2 5,-0.2 0.961 115.0 50.2 -56.6 -54.7 56.0 72.0 111.0 103 120 A I H X S+ 0 0 0 -4,-3.0 4,-2.0 2,-0.2 -2,-0.2 0.879 111.9 48.3 -50.6 -45.9 56.9 69.5 113.8 104 121 A R H X S+ 0 0 90 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.964 114.4 46.7 -61.1 -49.5 59.9 68.4 111.8 105 122 A K H X S+ 0 0 137 -4,-2.9 4,-1.0 1,-0.2 -2,-0.2 0.909 112.3 49.8 -57.9 -47.6 60.8 72.1 111.1 106 123 A E H < S+ 0 0 77 -4,-3.8 -1,-0.2 1,-0.2 -2,-0.2 0.828 112.7 47.2 -61.5 -37.4 60.4 73.0 114.8 107 124 A N H ><>S+ 0 0 20 -4,-2.0 5,-2.2 -5,-0.2 3,-1.6 0.899 103.8 55.7 -72.7 -47.5 62.5 70.1 116.1 108 125 A V H ><5S+ 0 0 82 -4,-2.1 3,-0.5 1,-0.3 -1,-0.2 0.821 109.4 55.3 -53.0 -30.9 65.5 70.4 113.8 109 126 A D T 3<5S+ 0 0 128 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.1 -0.165 97.8 57.7 -94.9 25.7 65.5 74.0 115.3 110 127 A A T < 5S- 0 0 91 -3,-1.6 -1,-0.2 0, 0.0 -2,-0.2 0.160 132.3 -90.1-133.5 -1.5 65.7 73.0 118.9 111 128 A G T < 5 - 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0 0 34 -3,-0.3 4,-1.4 1,-0.1 3,-0.3 -0.144 24.2 -75.7 103.8 161.3 86.6 68.7 102.6 317 334 A A H > S+ 0 0 54 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.629 119.9 61.8 -68.9 -19.7 88.2 70.5 99.6 318 335 A M H > S+ 0 0 130 2,-0.2 4,-2.9 -3,-0.2 5,-0.2 0.900 105.3 45.8 -74.6 -40.7 87.9 74.0 101.1 319 336 A V H > S+ 0 0 45 -3,-0.3 4,-2.1 -4,-0.2 -2,-0.2 0.910 112.9 52.7 -66.2 -42.6 90.2 73.3 104.0 320 337 A R H < S+ 0 0 149 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.866 113.7 41.8 -60.1 -40.6 92.5 71.6 101.6 321 338 A L H >< S+ 0 0 116 -4,-1.5 3,-1.7 3,-0.3 -2,-0.2 0.882 113.4 51.3 -75.8 -42.3 92.6 74.8 99.4 322 339 A L H 3< S+ 0 0 144 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.857 110.6 50.4 -64.2 -32.0 92.8 77.3 102.2 323 340 A E T 3< 0 0 149 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.105 360.0 360.0 -92.4 22.8 95.7 75.3 103.6 324 341 A D < 0 0 183 -3,-1.7 -3,-0.3 -5,-0.0 -2,-0.2 0.674 360.0 360.0 105.2 360.0 97.4 75.4 100.1 325 !* 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 0.0 326 19 B T > 0 0 123 0, 0.0 3,-3.9 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0 143.4 33.4 46.4 81.0 327 20 B S T 3> + 0 0 106 1,-0.3 4,-1.8 2,-0.2 5,-0.1 0.358 360.0 43.4 12.8 -55.8 33.2 43.1 78.9 328 21 B D H 3> S+ 0 0 107 -2,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.920 115.8 48.9 -69.3 -46.6 33.2 45.2 75.7 329 22 B E H <> S+ 0 0 115 -3,-3.9 4,-2.0 2,-0.2 -2,-0.2 0.787 111.5 49.5 -60.6 -35.8 35.9 47.5 77.0 330 23 B V H > S+ 0 0 23 -4,-0.5 4,-2.8 2,-0.2 5,-0.3 0.912 108.7 51.8 -73.2 -44.6 38.0 44.4 78.1 331 24 B R H X S+ 0 0 132 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.838 115.4 44.3 -61.9 -32.3 37.6 42.8 74.7 332 25 B K H X S+ 0 0 106 -4,-1.6 4,-2.9 2,-0.2 -2,-0.2 0.851 112.4 48.3 -82.3 -34.7 38.8 46.1 73.2 333 26 B N H X S+ 0 0 48 -4,-2.0 4,-1.5 76,-0.2 -2,-0.2 0.963 117.5 43.0 -67.7 -50.7 41.7 46.8 75.6 334 27 B L H >X S+ 0 0 51 -4,-2.8 4,-2.1 1,-0.2 3,-0.7 0.949 116.8 48.4 -59.0 -49.1 43.0 43.2 75.1 335 28 B M H 3X S+ 0 0 101 -4,-1.8 4,-1.8 -5,-0.3 -1,-0.2 0.900 107.9 54.1 -59.4 -41.2 42.3 43.6 71.3 336 29 B D H 3X S+ 0 0 44 -4,-2.9 4,-1.2 1,-0.2 -1,-0.3 0.789 108.4 51.7 -64.1 -24.8 44.1 46.9 71.3 337 30 B M H << S+ 0 0 19 -4,-1.5 -2,-0.2 -3,-0.7 -1,-0.2 0.928 108.0 48.9 -77.5 -44.5 47.0 45.1 72.8 338 31 B F H >< S+ 0 0 119 -4,-2.1 3,-0.9 1,-0.2 -2,-0.2 0.779 105.5 60.1 -65.3 -27.8 47.1 42.3 70.3 339 32 B R H 3< S+ 0 0 163 -4,-1.8 2,-0.7 1,-0.3 3,-0.3 0.970 112.2 35.6 -64.9 -54.6 47.0 44.8 67.4 340 33 B D T >< S+ 0 0 104 -4,-1.2 3,-2.0 1,-0.2 -1,-0.3 -0.380 74.8 150.2 -98.7 54.9 50.2 46.6 68.3 341 34 B R G X + 0 0 121 -3,-0.9 3,-1.8 -2,-0.7 -1,-0.2 0.827 63.4 68.3 -49.3 -43.1 51.9 43.5 69.6 342 35 B Q G 3 S+ 0 0 172 -3,-0.3 -1,-0.3 1,-0.3 4,-0.1 0.644 74.1 85.8 -57.0 -21.2 55.3 45.0 68.6 343 36 B A G < S+ 0 0 77 -3,-2.0 -1,-0.3 -6,-0.2 2,-0.3 0.780 96.8 40.6 -53.0 -28.6 55.0 47.6 71.3 344 37 B F S < S- 0 0 52 -3,-1.8 5,-0.0 -4,-0.2 2,-0.0 -0.797 102.1 -79.5-120.0 166.6 56.5 45.0 73.6 345 38 B S >> - 0 0 43 -2,-0.3 4,-1.5 1,-0.1 3,-1.1 -0.301 32.7-124.2 -62.8 144.9 59.3 42.4 73.4 346 39 B E H 3> S+ 0 0 126 1,-0.3 4,-1.6 2,-0.2 -1,-0.1 0.808 114.4 57.3 -53.7 -34.3 58.6 39.1 71.7 347 40 B H H 3> S+ 0 0 100 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.757 97.1 57.7 -71.0 -30.4 59.8 37.6 75.0 348 41 B T H <> S+ 0 0 47 -3,-1.1 4,-3.3 2,-0.2 -1,-0.2 0.919 109.2 48.1 -66.3 -40.4 57.2 39.4 77.1 349 42 B W H X S+ 0 0 48 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.884 107.5 53.9 -64.3 -43.8 54.6 37.7 75.0 350 43 B K H X S+ 0 0 135 -4,-1.6 4,-1.4 1,-0.2 -1,-0.2 0.862 115.7 41.1 -61.3 -36.7 56.2 34.3 75.3 351 44 B M H X S+ 0 0 64 -4,-1.7 4,-3.1 2,-0.2 5,-0.3 0.910 108.7 57.2 -80.3 -42.1 56.0 34.7 79.1 352 45 B L H X S+ 0 0 5 -4,-3.3 4,-2.7 1,-0.2 5,-0.2 0.981 116.0 40.5 -46.0 -59.7 52.5 36.3 79.2 353 46 B L H X S+ 0 0 76 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.810 112.7 52.6 -60.8 -36.4 51.4 33.1 77.4 354 47 B S H X S+ 0 0 43 -4,-1.4 4,-2.0 -5,-0.2 -1,-0.2 0.897 113.0 45.2 -69.6 -37.8 53.5 30.7 79.4 355 48 B V H X S+ 0 0 0 -4,-3.1 4,-2.9 2,-0.2 5,-0.3 0.974 113.1 49.5 -66.9 -53.1 52.2 32.1 82.7 356 49 B C H X S+ 0 0 17 -4,-2.7 4,-3.0 -5,-0.3 5,-0.4 0.918 109.0 53.5 -53.5 -43.6 48.6 32.1 81.4 357 50 B R H X S+ 0 0 156 -4,-2.5 4,-1.7 -5,-0.2 -1,-0.3 0.965 112.9 44.3 -56.0 -48.6 49.1 28.5 80.3 358 51 B S H X S+ 0 0 33 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.915 116.7 43.8 -56.9 -53.3 50.3 27.7 83.8 359 52 B W H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.879 112.2 52.7 -61.6 -43.8 47.5 29.6 85.6 360 53 B A H X S+ 0 0 32 -4,-3.0 4,-2.4 -5,-0.3 -1,-0.2 0.873 110.7 49.4 -62.7 -35.6 44.8 28.3 83.3 361 54 B A H X S+ 0 0 59 -4,-1.7 4,-1.9 -5,-0.4 -2,-0.2 0.931 111.4 46.2 -69.3 -46.9 46.0 24.8 84.1 362 55 B W H < S+ 0 0 26 -4,-2.3 4,-0.3 1,-0.2 -2,-0.2 0.864 113.4 53.3 -63.0 -35.4 46.0 25.4 87.8 363 56 B C H ><>S+ 0 0 2 -4,-2.7 5,-2.3 1,-0.2 3,-1.1 0.911 106.3 49.3 -66.0 -45.5 42.5 26.9 87.4 364 57 B K H ><5S+ 0 0 175 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.930 105.8 57.1 -60.2 -47.2 41.0 24.0 85.5 365 58 B L T 3<5S+ 0 0 144 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.591 117.6 34.6 -59.3 -14.6 42.2 21.4 88.0 366 59 B N T < 5S- 0 0 76 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.147 112.4-114.1-126.0 12.7 40.4 23.3 90.8 367 60 B N T < 5 + 0 0 147 -3,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.925 65.3 142.0 46.3 58.2 37.4 24.5 88.8 368 61 B R < - 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