==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 23-MAR-10 3MAF . COMPND 2 MOLECULE: SPHINGOSINE-1-PHOSPHATE LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SYMBIOBACTERIUM THERMOPHILUM; . AUTHOR F.BOURQUIN,M.G.GRUTTER,G.CAPITANI . 836 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28396.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 611 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 4 0.5 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 . 49 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 315 37.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 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 1 2 0 4 0 2 2 2 1 2 1 0 0 4 0 0 3 0 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 1 0 3 1 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 . 2 2 4 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 2 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 58 A K > 0 0 104 0, 0.0 3,-1.3 0, 0.0 504,-0.0 0.000 360.0 360.0 360.0 64.7 -21.6 -4.0 -4.3 2 59 A P G > + 0 0 49 0, 0.0 3,-0.6 0, 0.0 4,-0.5 0.723 360.0 58.6 -65.6 -30.1 -23.7 -7.1 -3.5 3 60 A Y G 3> + 0 0 11 1,-0.2 4,-2.5 2,-0.2 27,-0.0 0.379 69.0 111.1 -87.2 6.7 -24.6 -6.2 0.1 4 61 A R G <4 S+ 0 0 178 -3,-1.3 -1,-0.2 1,-0.2 5,-0.1 0.896 97.0 20.2 -41.6 -50.8 -26.3 -3.0 -0.9 5 62 A D T <4 S+ 0 0 120 -3,-0.6 -1,-0.2 1,-0.1 -2,-0.2 0.704 119.2 63.5 -94.3 -25.2 -29.7 -4.6 0.1 6 63 A R T 4 S+ 0 0 138 -4,-0.5 -2,-0.2 1,-0.2 -3,-0.1 0.889 110.9 28.6 -69.1 -38.7 -28.5 -7.4 2.4 7 64 A F S < S- 0 0 31 -4,-2.5 -1,-0.2 19,-0.0 0, 0.0 -0.958 90.0 -97.4-130.5 143.3 -27.0 -5.1 5.0 8 65 A P - 0 0 72 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.242 38.5-135.4 -51.8 134.3 -27.6 -1.5 6.3 9 66 A S - 0 0 72 -5,-0.1 2,-0.6 435,-0.0 3,-0.1 -0.752 8.8-145.7 -94.7 145.1 -25.4 1.1 4.7 10 67 A H + 0 0 23 -2,-0.3 506,-0.3 1,-0.1 505,-0.2 -0.922 28.6 162.9-116.1 107.8 -23.7 3.7 6.9 11 68 A A S S+ 0 0 40 -2,-0.6 2,-0.3 1,-0.3 508,-0.3 0.593 75.5 19.6 -94.9 -16.1 -23.3 7.1 5.3 12 69 A R S S- 0 0 101 -3,-0.1 -1,-0.3 507,-0.1 504,-0.2 -0.993 98.1 -76.0-154.9 151.3 -22.8 8.7 8.7 13 70 A L - 0 0 3 503,-0.5 724,-0.1 -2,-0.3 -2,-0.1 -0.072 50.7-113.5 -43.9 134.2 -21.8 7.8 12.2 14 71 A P - 0 0 21 0, 0.0 727,-3.7 0, 0.0 728,-0.2 -0.380 16.6-135.1 -62.5 151.0 -24.6 6.1 14.3 15 72 A R S S+ 0 0 152 725,-0.2 727,-3.5 726,-0.2 728,-0.2 0.937 96.7 33.6 -71.8 -44.8 -25.9 8.3 17.2 16 73 A A S S- 0 0 49 725,-0.2 727,-0.4 726,-0.1 2,-0.1 0.961 100.9-114.1 -80.9 -59.3 -25.8 5.4 19.6 17 74 A G - 0 0 22 725,-0.1 721,-0.3 726,-0.1 722,-0.2 0.104 33.7-111.2 110.8 122.9 -23.1 2.9 19.0 18 75 A L - 0 0 48 719,-3.4 2,-0.1 1,-0.1 722,-0.0 -0.477 33.4 -86.6 -93.1 156.7 -24.0 -0.6 17.9 19 76 A P > - 0 0 61 0, 0.0 4,-2.4 0, 0.0 5,-0.2 -0.364 30.0-136.0 -56.3 130.2 -23.7 -4.0 19.7 20 77 A R H > S+ 0 0 97 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.886 107.6 56.6 -55.2 -37.6 -20.2 -5.4 19.1 21 78 A A H > S+ 0 0 73 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.946 105.5 47.8 -57.9 -53.2 -22.1 -8.7 18.5 22 79 A E H > S+ 0 0 111 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.908 113.2 49.2 -56.4 -44.4 -24.3 -7.2 15.7 23 80 A I H X S+ 0 0 2 -4,-2.4 4,-2.2 1,-0.2 3,-0.3 0.979 111.5 47.4 -58.9 -57.3 -21.2 -5.7 14.1 24 81 A L H X S+ 0 0 35 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.839 109.3 57.6 -53.1 -35.3 -19.2 -9.0 14.3 25 82 A A H X S+ 0 0 57 -4,-2.4 4,-2.7 -5,-0.2 -1,-0.2 0.938 106.0 46.2 -64.2 -48.3 -22.3 -10.8 12.9 26 83 A E H X S+ 0 0 26 -4,-2.1 4,-2.3 -3,-0.3 5,-0.2 0.947 113.8 49.4 -60.0 -47.8 -22.5 -8.7 9.7 27 84 A I H X S+ 0 0 1 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.920 113.4 45.2 -58.4 -47.3 -18.7 -9.0 9.1 28 85 A A H X S+ 0 0 42 -4,-2.6 4,-1.8 -5,-0.2 -1,-0.2 0.900 109.3 57.6 -63.0 -39.3 -18.8 -12.8 9.6 29 86 A A H X S+ 0 0 38 -4,-2.7 4,-1.4 2,-0.2 -2,-0.2 0.907 108.2 45.3 -57.1 -45.2 -21.9 -12.9 7.4 30 87 A M H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 3,-0.2 0.924 110.2 55.1 -64.8 -43.9 -20.0 -11.3 4.5 31 88 A G H X S+ 0 0 12 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.799 102.0 58.5 -56.6 -31.3 -17.1 -13.6 5.2 32 89 A A H < S+ 0 0 72 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.914 109.1 42.9 -67.2 -42.9 -19.5 -16.6 4.8 33 90 A A H < S+ 0 0 58 -4,-1.4 4,-0.3 -3,-0.2 -2,-0.2 0.855 122.7 41.4 -65.3 -32.8 -20.4 -15.5 1.3 34 91 A E H X S+ 0 0 11 -4,-1.9 4,-0.7 -5,-0.1 3,-0.3 0.824 93.6 72.7 -91.8 -37.2 -16.7 -14.7 0.5 35 92 A S H X S+ 0 0 42 -4,-2.9 4,-2.8 1,-0.2 3,-0.4 0.886 86.9 63.3 -49.4 -53.0 -14.5 -17.5 1.9 36 93 A P H > S+ 0 0 45 0, 0.0 4,-4.4 0, 0.0 6,-0.3 0.884 93.4 63.3 -42.9 -57.8 -15.2 -20.3 -0.5 37 94 A A H 4>S+ 0 0 26 -4,-0.3 5,-2.4 -3,-0.3 6,-0.4 0.846 119.2 22.3 -32.0 -66.9 -13.9 -18.5 -3.5 38 95 A W H ><5S+ 0 0 24 -4,-0.7 3,-1.4 -3,-0.4 5,-0.3 0.875 123.9 54.9 -76.4 -37.0 -10.3 -18.3 -2.3 39 96 A R H 3<5S+ 0 0 109 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.843 107.3 51.1 -66.0 -34.8 -10.5 -21.2 0.2 40 97 A D T 3<5S- 0 0 55 -4,-4.4 -1,-0.3 -5,-0.4 -2,-0.2 0.073 119.6-106.7 -94.3 25.1 -11.7 -23.6 -2.5 41 98 A G T < 5S+ 0 0 0 -3,-1.4 -3,-0.2 -5,-0.1 -2,-0.1 0.808 83.8 124.3 59.2 35.7 -8.9 -22.7 -4.9 42 99 A Y < + 0 0 59 -5,-2.4 331,-3.7 -6,-0.3 2,-0.4 0.495 53.2 88.6 -98.4 -4.2 -10.9 -20.7 -7.3 43 100 A A B S-a 373 0A 6 -6,-0.4 2,-0.9 -5,-0.3 331,-0.2 -0.815 71.2-137.2-106.1 131.1 -8.7 -17.6 -7.0 44 101 A S S S- 0 0 7 329,-2.8 2,-0.4 -2,-0.4 343,-0.2 -0.723 81.0 -40.7 -78.2 105.1 -5.5 -16.7 -8.9 45 102 A G S S+ 0 0 3 341,-1.5 2,-2.8 -2,-0.9 -2,-0.1 -0.649 98.3 113.9 75.2-126.6 -3.2 -15.5 -6.1 46 103 A A S S+ 0 0 1 -2,-0.4 2,-0.5 2,-0.1 -1,-0.1 -0.302 87.5 34.6 63.0 -73.3 -5.2 -13.4 -3.7 47 104 A V - 0 0 3 -2,-2.8 343,-0.3 -4,-0.1 -2,-0.2 -0.971 67.4-176.7-112.0 129.5 -4.7 -15.9 -0.8 48 105 A Y S S+ 0 0 20 -2,-0.5 341,-1.2 205,-0.3 342,-0.2 0.723 79.9 12.0-104.0 -27.2 -1.4 -17.7 -0.8 49 106 A H + 0 0 32 340,-0.1 -2,-0.1 339,-0.1 205,-0.0 0.698 67.9 170.4-108.9 -68.3 -1.7 -20.2 2.1 50 107 A G + 0 0 3 1,-0.2 2,-0.2 2,-0.1 444,-0.0 0.420 21.7 150.2 75.1 -3.4 -5.4 -20.2 3.1 51 108 A D > - 0 0 48 1,-0.1 4,-2.5 2,-0.0 5,-0.3 -0.433 49.5-131.0 -66.6 136.3 -5.0 -23.2 5.5 52 109 A E H > S+ 0 0 144 1,-0.2 4,-2.4 2,-0.2 -1,-0.1 0.899 102.7 38.0 -49.3 -53.3 -7.4 -23.1 8.4 53 110 A H H > S+ 0 0 105 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.818 114.5 52.6 -79.9 -32.7 -4.9 -23.8 11.2 54 111 A H H > S+ 0 0 5 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.965 113.5 44.3 -63.1 -54.7 -2.1 -21.7 9.8 55 112 A I H X S+ 0 0 19 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.945 110.9 54.6 -51.1 -52.2 -4.4 -18.7 9.5 56 113 A A H X S+ 0 0 52 -4,-2.4 4,-1.4 -5,-0.3 -1,-0.2 0.866 110.2 49.5 -49.3 -39.1 -5.8 -19.4 12.9 57 114 A F H X S+ 0 0 9 -4,-1.6 4,-2.1 2,-0.2 3,-0.4 0.947 110.3 46.0 -69.2 -52.9 -2.2 -19.3 14.1 58 115 A L H X S+ 0 0 8 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.867 109.4 57.8 -59.2 -36.4 -1.2 -16.1 12.5 59 116 A N H X S+ 0 0 25 -4,-3.0 4,-2.4 -5,-0.2 -1,-0.2 0.865 106.9 47.2 -61.7 -37.9 -4.5 -14.5 13.8 60 117 A E H X S+ 0 0 92 -4,-1.4 4,-1.9 -3,-0.4 -1,-0.2 0.857 109.9 53.5 -72.8 -36.0 -3.5 -15.4 17.3 61 118 A V H >X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 3,-0.7 0.991 109.4 48.5 -56.2 -60.2 -0.1 -14.0 16.7 62 119 A Y H 3< S+ 0 0 4 -4,-3.0 -2,-0.2 1,-0.3 3,-0.2 0.920 107.7 55.6 -42.2 -58.5 -1.7 -10.7 15.6 63 120 A A H >< S+ 0 0 19 -4,-2.4 3,-1.1 1,-0.2 -1,-0.3 0.861 108.1 48.5 -44.2 -45.6 -3.9 -10.7 18.6 64 121 A L H << S+ 0 0 56 -4,-1.9 -1,-0.2 -3,-0.7 -2,-0.2 0.910 118.8 37.4 -66.5 -43.2 -0.9 -10.9 20.9 65 122 A Q T 3< 0 0 8 -4,-2.1 235,-0.4 -3,-0.2 -1,-0.3 0.072 360.0 360.0 -92.5 24.8 1.0 -8.1 19.2 66 123 A S < 0 0 44 -3,-1.1 234,-0.4 -5,-0.2 621,-0.2 0.914 360.0 360.0 -48.2 360.0 -2.2 -6.2 18.6 67 ! 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 68 125 A S 0 0 14 0, 0.0 231,-1.3 0, 0.0 232,-1.0 0.000 360.0 360.0 360.0 104.6 1.8 -2.4 18.8 69 126 A N - 0 0 3 229,-0.2 3,-0.4 230,-0.2 7,-0.2 -0.806 360.0-134.6-117.4 159.4 3.8 -0.2 16.3 70 127 A P S S+ 0 0 18 0, 0.0 226,-0.1 0, 0.0 4,-0.1 0.466 90.7 85.3 -93.1 -5.0 7.6 0.2 15.7 71 128 A L S S+ 0 0 52 1,-0.3 3,-0.1 226,-0.3 218,-0.1 0.734 98.4 46.6 -64.4 -23.0 7.6 4.0 15.5 72 129 A H S >> S+ 0 0 33 -3,-0.4 4,-1.9 1,-0.1 3,-1.1 -0.679 70.2 161.2-115.3 74.7 7.9 3.6 19.3 73 130 A P T 34 S+ 0 0 46 0, 0.0 7,-0.1 0, 0.0 -1,-0.1 0.781 70.5 68.3 -62.7 -29.1 10.6 0.9 19.5 74 131 A D T 34 S+ 0 0 110 1,-0.2 -2,-0.0 2,-0.2 -3,-0.0 0.784 110.5 34.2 -61.7 -28.7 11.1 1.9 23.2 75 132 A L T <4 S+ 0 0 64 -3,-1.1 -1,-0.2 1,-0.2 3,-0.2 0.775 129.9 34.6 -92.9 -35.8 7.7 0.5 23.9 76 133 A W X + 0 0 41 -4,-1.9 4,-1.6 -7,-0.2 3,-0.5 -0.552 58.3 148.1-123.2 67.3 7.8 -2.4 21.4 77 134 A P H > S+ 0 0 82 0, 0.0 4,-1.0 0, 0.0 -1,-0.1 0.690 73.0 72.0 -68.0 -18.6 11.4 -3.7 21.2 78 135 A S H > S+ 0 0 15 2,-0.2 4,-2.2 -3,-0.2 3,-0.4 0.934 100.6 42.0 -58.0 -47.6 9.6 -7.0 20.5 79 136 A T H > S+ 0 0 0 -3,-0.5 4,-2.9 1,-0.2 5,-0.3 0.952 106.7 59.2 -67.0 -51.0 8.6 -5.7 17.1 80 137 A A H X S+ 0 0 44 -4,-1.6 4,-1.1 1,-0.2 -1,-0.2 0.748 109.9 48.3 -48.8 -24.8 12.0 -4.1 16.4 81 138 A K H X S+ 0 0 43 -4,-1.0 4,-3.3 -3,-0.4 5,-0.3 0.937 108.2 51.2 -79.1 -55.4 13.3 -7.6 16.8 82 139 A F H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.920 112.2 47.4 -44.8 -53.9 10.8 -9.3 14.6 83 140 A E H X S+ 0 0 36 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.932 113.3 47.8 -58.0 -47.0 11.5 -6.9 11.8 84 141 A A H X S+ 0 0 60 -4,-1.1 4,-2.5 -5,-0.3 -1,-0.2 0.915 114.0 46.3 -62.7 -43.7 15.3 -7.3 12.2 85 142 A E H X S+ 0 0 15 -4,-3.3 4,-2.7 2,-0.2 5,-0.2 0.859 111.3 52.1 -67.8 -35.9 15.0 -11.1 12.3 86 143 A V H X S+ 0 0 2 -4,-2.7 4,-1.9 -5,-0.3 -1,-0.2 0.912 111.9 46.2 -65.0 -42.6 12.7 -11.2 9.3 87 144 A V H X S+ 0 0 17 -4,-2.3 4,-2.8 -5,-0.2 -2,-0.2 0.943 113.7 49.9 -64.5 -46.5 15.1 -9.1 7.3 88 145 A A H X S+ 0 0 33 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.945 112.3 44.8 -56.1 -55.1 18.0 -11.2 8.3 89 146 A M H X S+ 0 0 0 -4,-2.7 4,-1.8 360,-0.3 363,-0.3 0.857 114.4 49.8 -62.7 -35.8 16.5 -14.5 7.5 90 147 A T H X S+ 0 0 0 -4,-1.9 4,-0.8 -5,-0.2 -1,-0.2 0.928 109.1 51.1 -70.0 -44.3 15.2 -13.2 4.1 91 148 A A H ><>S+ 0 0 9 -4,-2.8 5,-2.7 1,-0.2 3,-1.2 0.932 110.1 49.4 -56.7 -50.1 18.6 -11.8 3.2 92 149 A H H ><5S+ 0 0 53 -4,-2.4 3,-1.3 358,-0.3 5,-0.2 0.875 107.7 54.9 -56.2 -41.5 20.3 -15.1 4.0 93 150 A M H 3<5S+ 0 0 11 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.687 109.5 49.9 -64.9 -18.6 17.7 -16.9 1.9 94 151 A L T <<5S- 0 0 1 -3,-1.2 146,-2.3 -4,-0.8 -1,-0.3 -0.023 129.7 -87.3-116.0 31.4 18.6 -14.6 -1.0 95 152 A G T X>5S+ 0 0 16 -3,-1.3 3,-1.5 144,-0.2 4,-1.0 0.638 72.4 152.0 82.0 16.1 22.4 -15.0 -1.0 96 153 A G T 34X + 0 0 5 -5,-2.7 5,-0.8 1,-0.3 7,-0.5 0.795 69.4 59.4 -48.7 -34.8 23.1 -12.3 1.6 97 154 A D T >45S+ 0 0 97 -5,-0.2 3,-1.9 1,-0.2 -1,-0.3 0.843 93.9 64.1 -67.3 -34.8 26.3 -14.1 2.7 98 155 A A T <45S+ 0 0 64 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.903 98.0 55.7 -51.7 -43.0 27.7 -13.8 -0.8 99 156 A A T 3<5S- 0 0 14 -4,-1.0 3,-0.5 -3,-0.4 -1,-0.3 0.614 121.7-116.4 -67.0 -10.4 27.7 -10.0 -0.3 100 157 A G T < 5 - 0 0 56 -3,-1.9 -3,-0.2 -4,-0.2 -2,-0.1 0.923 61.2 -53.4 76.9 46.3 29.7 -10.8 2.8 101 158 A G S S- 0 0 1 151,-0.2 4,-2.4 1,-0.1 -1,-0.3 -0.903 74.6 -77.8 164.8 167.8 4.1 -4.5 0.4 111 168 A G H > S+ 0 0 0 -2,-0.3 4,-3.2 1,-0.2 5,-0.2 0.906 126.0 55.5 -54.7 -43.7 5.9 -5.2 -2.8 112 169 A T H > S+ 0 0 0 2,-0.2 4,-4.0 1,-0.2 5,-0.3 0.947 106.5 47.2 -54.6 -55.0 4.9 -1.8 -4.0 113 170 A E H > S+ 0 0 14 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.921 113.3 51.2 -56.1 -43.7 6.5 0.0 -1.0 114 171 A S H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.956 113.9 43.3 -53.1 -54.8 9.6 -2.1 -1.5 115 172 A L H X S+ 0 0 0 -4,-3.2 4,-2.3 2,-0.2 -2,-0.2 0.934 115.6 48.1 -59.7 -47.9 9.6 -1.1 -5.2 116 173 A L H X S+ 0 0 1 -4,-4.0 4,-3.1 1,-0.2 5,-0.3 0.955 111.7 49.7 -57.4 -52.6 8.9 2.5 -4.5 117 174 A L H X S+ 0 0 0 -4,-3.2 4,-3.4 -5,-0.3 -1,-0.2 0.920 110.3 49.7 -53.1 -51.3 11.6 2.7 -1.8 118 175 A A H X S+ 0 0 1 -4,-2.4 4,-3.4 -5,-0.2 5,-0.3 0.960 112.8 46.9 -52.2 -55.7 14.2 1.2 -4.0 119 176 A M H X S+ 0 0 5 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.925 113.8 47.8 -53.4 -50.7 13.5 3.6 -6.9 120 177 A K H X S+ 0 0 3 -4,-3.1 4,-2.8 2,-0.2 5,-0.2 0.941 113.2 49.6 -54.2 -49.3 13.5 6.5 -4.5 121 178 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-4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.928 106.2 50.1 -68.9 -45.1 5.9 15.3 38.5 832 462 B Q H X S+ 0 0 118 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.851 112.7 47.1 -64.0 -36.0 6.0 17.4 41.7 833 463 B D H X S+ 0 0 85 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.852 109.7 54.8 -71.0 -36.2 8.7 15.1 43.1 834 464 B A H X S+ 0 0 0 -4,-1.8 4,-2.0 -5,-0.2 -2,-0.2 0.858 108.2 48.0 -66.7 -36.7 10.6 15.2 39.9 835 465 B V H X S+ 0 0 5 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.905 107.3 55.1 -72.0 -41.9 10.7 19.0 40.0 836 466 B A H X S+ 0 0 62 -4,-1.7 4,-1.2 2,-0.2 -2,-0.2 0.914 109.2 50.6 -53.4 -45.4 11.9 19.1 43.6 837 467 B Q H >< S+ 0 0 78 -4,-1.8 3,-1.2 1,-0.2 -2,-0.2 0.976 110.9 44.6 -54.5 -62.9 14.8 16.9 42.6 838 468 B V H >< S+ 0 0 5 -4,-2.0 3,-1.3 1,-0.3 -1,-0.2 0.800 106.0 62.8 -58.7 -31.7 16.0 18.9 39.6 839 469 B R H 3< S+ 0 0 115 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.879 111.3 38.0 -58.4 -37.7 15.6 22.1 41.7 840 470 B A T << S+ 0 0 71 -3,-1.2 -1,-0.3 -4,-1.2 -2,-0.2 0.158 122.0 44.2-101.7 17.3 18.3 20.8 44.0 841 471 B H < 0 0 137 -3,-1.3 -1,-0.2 -4,-0.1 -2,-0.1 -0.162 360.0 360.0-158.2 54.7 20.5 19.1 41.4 842 472 B P 0 0 154 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.892 360.0 360.0 -77.3 360.0 21.1 21.2 38.2