==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE, LYASE/DNA 07-MAY-13 4KLJ . COMPND 2 MOLECULE: 5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*CP*AP*G . SOURCE 2 SYNTHETIC: YES; . AUTHOR B.D.FREUDENTHAL,W.A.BEARD,D.D.SHOCK,S.H.WILSON . 326 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17510.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 227 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 9.8 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 16 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 123 37.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.1 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 1 1 1 2 3 0 1 0 2 0 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 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 PARALLEL BRIDGES PER LADDER . 2 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 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 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 10 A T > 0 0 176 0, 0.0 3,-0.7 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 71.0 9.1 -15.3 11.4 2 11 A L T 3 + 0 0 99 36,-0.2 3,-0.2 1,-0.2 36,-0.1 0.758 360.0 34.5 -70.1 -27.3 11.2 -17.8 9.5 3 12 A N T 3> S+ 0 0 14 35,-0.1 4,-2.4 1,-0.1 3,-0.4 -0.054 73.0 133.7-125.4 33.1 14.3 -15.6 9.9 4 13 A G H <> S+ 0 0 20 -3,-0.7 4,-2.5 1,-0.2 5,-0.2 0.795 70.8 57.6 -54.6 -38.0 13.8 -14.0 13.3 5 14 A G H > S+ 0 0 34 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.938 111.4 41.8 -60.4 -48.1 17.4 -14.7 14.4 6 15 A I H > S+ 0 0 4 -3,-0.4 4,-2.5 2,-0.2 5,-0.2 0.922 115.2 48.6 -65.5 -47.7 18.8 -12.8 11.5 7 16 A T H X S+ 0 0 21 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.912 110.2 52.3 -65.9 -36.4 16.4 -9.9 11.7 8 17 A D H X S+ 0 0 113 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.925 109.9 50.1 -60.3 -43.8 16.9 -9.6 15.4 9 18 A M H X S+ 0 0 7 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.929 111.3 47.4 -58.4 -48.0 20.7 -9.4 14.8 10 19 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.876 110.8 52.0 -66.2 -35.9 20.3 -6.7 12.1 11 20 A T H X S+ 0 0 54 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.900 109.3 49.3 -66.3 -41.3 18.0 -4.7 14.4 12 21 A E H X S+ 0 0 69 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.885 112.8 47.7 -64.0 -39.6 20.5 -4.8 17.2 13 22 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.924 110.4 52.8 -63.5 -46.0 23.2 -3.7 14.8 14 23 A A H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.915 109.8 48.0 -52.4 -47.4 20.9 -1.0 13.6 15 24 A N H X S+ 0 0 63 -4,-2.6 4,-3.1 1,-0.2 5,-0.4 0.893 109.5 52.7 -67.1 -37.2 20.3 0.3 17.1 16 25 A F H X>S+ 0 0 25 -4,-2.1 4,-2.3 1,-0.2 5,-2.0 0.936 109.9 48.6 -60.2 -47.1 24.0 0.2 17.9 17 26 A E H <>S+ 0 0 8 -4,-2.5 6,-2.8 3,-0.2 5,-0.8 0.900 118.0 40.7 -63.0 -38.5 24.7 2.3 14.8 18 27 A K H <5S+ 0 0 78 -4,-2.2 -2,-0.2 4,-0.2 -1,-0.2 0.963 125.2 31.9 -71.6 -52.2 22.0 4.8 15.7 19 28 A N H <5S+ 0 0 13 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.867 134.5 18.9 -79.3 -39.9 22.5 5.1 19.4 20 29 A V T <5S+ 0 0 13 -4,-2.3 -3,-0.2 -5,-0.4 -4,-0.1 0.890 131.4 35.1-101.8 -53.7 26.2 4.6 19.9 21 30 A S T - 0 0 27 -6,-2.8 4,-2.1 1,-0.1 3,-0.3 -0.822 25.2-179.9-120.7 87.8 25.6 6.7 12.0 24 33 A I H > S+ 0 0 82 -2,-0.5 4,-2.2 1,-0.2 -1,-0.1 0.751 78.4 53.5 -68.5 -25.6 22.1 7.2 10.7 25 34 A H H > S+ 0 0 156 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.869 109.8 48.3 -77.8 -33.0 22.7 5.9 7.2 26 35 A K H > S+ 0 0 119 -3,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.890 110.0 53.6 -67.0 -39.5 24.1 2.6 8.7 27 36 A Y H X S+ 0 0 31 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.961 111.7 44.2 -56.4 -51.9 21.1 2.5 11.0 28 37 A N H X S+ 0 0 36 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.867 111.2 54.0 -64.7 -37.6 18.7 2.8 8.0 29 38 A A H X S+ 0 0 49 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.925 110.3 46.7 -60.3 -47.5 20.7 0.3 5.9 30 39 A Y H X S+ 0 0 24 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.921 113.7 47.4 -62.1 -44.5 20.5 -2.3 8.7 31 40 A R H X S+ 0 0 56 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.869 110.4 53.2 -66.4 -34.3 16.7 -1.7 9.2 32 41 A K H X S+ 0 0 99 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.910 111.0 46.1 -66.6 -42.8 16.1 -1.9 5.4 33 42 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 22,-0.3 -2,-0.2 0.898 111.8 50.9 -65.5 -42.7 17.9 -5.2 5.2 34 43 A A H X S+ 0 0 8 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.925 111.3 49.6 -60.8 -41.9 16.0 -6.6 8.3 35 44 A S H X S+ 0 0 12 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.916 111.3 46.4 -64.6 -44.7 12.7 -5.5 6.7 36 45 A V H X S+ 0 0 18 -4,-2.2 4,-0.8 1,-0.2 3,-0.2 0.900 115.2 48.1 -69.5 -34.7 13.4 -7.1 3.3 37 46 A I H >< S+ 0 0 0 -4,-2.4 3,-0.7 1,-0.2 -2,-0.2 0.902 104.6 60.4 -67.4 -40.1 14.5 -10.3 5.1 38 47 A A H 3< S+ 0 0 71 -4,-2.8 -36,-0.2 1,-0.2 -1,-0.2 0.804 109.7 41.4 -57.4 -32.6 11.5 -10.3 7.3 39 48 A K H 3< S+ 0 0 124 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.619 85.0 111.5 -94.7 -10.8 9.1 -10.5 4.3 40 49 A Y << - 0 0 48 -4,-0.8 -38,-0.2 -3,-0.7 4,-0.1 -0.468 64.6-144.2 -63.6 122.4 11.2 -13.1 2.4 41 50 A P + 0 0 96 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.206 69.8 76.8 -88.2 19.1 9.1 -16.3 2.5 42 51 A H S S- 0 0 107 -39,-0.0 2,-0.7 0, 0.0 -40,-0.1 -0.920 86.3-110.2-120.0 151.5 12.0 -18.8 2.8 43 52 A K - 0 0 155 -2,-0.3 2,-0.1 1,-0.1 -40,-0.1 -0.717 47.4-119.1 -74.3 115.4 14.1 -19.8 5.7 44 53 A I - 0 0 4 -2,-0.7 3,-0.1 1,-0.1 -1,-0.1 -0.375 32.9-178.1 -67.8 130.3 17.5 -18.4 4.7 45 54 A K + 0 0 170 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.577 62.8 9.0-102.4 -15.5 20.2 -21.0 4.3 46 55 A S > - 0 0 39 1,-0.1 4,-1.6 22,-0.0 -1,-0.2 -0.991 67.2-111.5-159.7 160.2 23.2 -18.7 3.4 47 56 A G H > S+ 0 0 0 -2,-0.3 4,-2.8 2,-0.2 5,-0.2 0.906 116.3 58.7 -57.8 -44.7 24.5 -15.2 3.1 48 57 A A H > S+ 0 0 64 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.915 104.0 50.7 -53.4 -48.4 24.6 -15.6 -0.7 49 58 A E H >4 S+ 0 0 29 1,-0.2 3,-0.8 2,-0.2 4,-0.3 0.900 112.9 46.6 -55.4 -44.3 20.9 -16.4 -0.7 50 59 A A H >< S+ 0 0 0 -4,-1.6 3,-2.3 1,-0.2 6,-0.2 0.877 100.6 66.5 -67.4 -37.4 20.3 -13.2 1.4 51 60 A K H 3< S+ 0 0 102 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.690 88.0 68.7 -61.1 -16.7 22.5 -11.1 -0.8 52 61 A K T << S+ 0 0 172 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.725 84.0 89.2 -72.6 -19.5 20.1 -11.5 -3.7 53 62 A L S X S- 0 0 24 -3,-2.3 3,-1.7 -4,-0.3 2,-0.3 -0.593 92.2-107.7 -80.9 139.2 17.6 -9.4 -1.8 54 63 A P T 3 S+ 0 0 99 0, 0.0 3,-0.1 0, 0.0 -18,-0.1 -0.515 106.7 30.6 -69.7 126.7 17.8 -5.6 -2.3 55 64 A G T 3 S+ 0 0 37 -2,-0.3 2,-0.6 1,-0.3 -22,-0.3 0.093 96.6 100.8 107.8 -19.2 19.3 -3.9 0.7 56 65 A V < + 0 0 8 -3,-1.7 -1,-0.3 -6,-0.2 2,-0.1 -0.892 51.1 169.8-101.2 119.0 21.5 -6.9 1.6 57 66 A G > - 0 0 31 -2,-0.6 4,-2.3 -3,-0.1 5,-0.2 -0.253 49.4 -69.0-113.0-159.2 25.1 -6.4 0.6 58 67 A T H > S+ 0 0 94 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.880 125.8 48.1 -64.2 -42.0 28.5 -8.1 1.1 59 68 A K H > S+ 0 0 135 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.908 113.9 45.0 -71.5 -41.9 28.9 -7.2 4.7 60 69 A I H > S+ 0 0 15 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.920 110.1 55.6 -68.8 -39.7 25.5 -8.3 5.8 61 70 A A H X S+ 0 0 9 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.922 108.2 49.9 -55.5 -43.1 25.8 -11.5 3.8 62 71 A E H X S+ 0 0 116 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.920 110.6 48.3 -60.2 -44.9 29.0 -12.1 5.8 63 72 A K H X S+ 0 0 25 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.888 109.2 53.7 -65.9 -37.5 27.3 -11.5 9.1 64 73 A I H X S+ 0 0 0 -4,-3.1 4,-2.4 2,-0.2 -1,-0.2 0.891 107.6 51.1 -63.1 -38.2 24.5 -13.8 8.1 65 74 A D H X S+ 0 0 77 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.934 111.3 47.2 -64.6 -47.1 27.0 -16.5 7.3 66 75 A E H X S+ 0 0 37 -4,-2.4 4,-2.5 1,-0.2 6,-0.5 0.942 114.0 48.4 -55.8 -46.3 28.6 -16.1 10.8 67 76 A F H X S+ 0 0 45 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.869 110.8 48.4 -67.1 -39.1 25.2 -16.1 12.4 68 77 A L H < S+ 0 0 72 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.870 116.1 45.6 -67.1 -36.2 23.9 -19.2 10.6 69 78 A A H < S+ 0 0 83 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.894 131.7 15.4 -72.6 -41.2 27.2 -21.1 11.5 70 79 A T H < S- 0 0 82 -4,-2.5 -3,-0.2 2,-0.3 -2,-0.2 0.544 92.5-121.3-117.5 -12.9 27.5 -20.1 15.2 71 80 A G S < S+ 0 0 50 -4,-2.1 2,-0.3 -5,-0.4 -4,-0.2 0.546 87.1 57.4 78.2 7.4 24.1 -18.8 16.2 72 81 A K S S- 0 0 72 -6,-0.5 2,-0.5 -5,-0.0 -2,-0.3 -0.936 76.6-119.1-153.8 177.8 25.7 -15.5 17.2 73 82 A L >> - 0 0 3 -2,-0.3 4,-2.4 1,-0.1 3,-0.7 -0.979 10.9-152.3-129.2 116.7 27.8 -12.6 16.0 74 83 A R H 3> S+ 0 0 166 -2,-0.5 4,-2.2 1,-0.3 5,-0.2 0.879 97.9 60.9 -52.0 -40.4 31.1 -11.9 17.7 75 84 A K H 3> S+ 0 0 87 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.892 110.0 40.3 -56.7 -41.1 30.7 -8.2 16.8 76 85 A L H <> S+ 0 0 2 -3,-0.7 4,-2.8 2,-0.2 -1,-0.2 0.850 108.4 61.0 -77.3 -35.1 27.5 -8.0 18.9 77 86 A E H X S+ 0 0 80 -4,-2.4 4,-0.7 1,-0.2 -2,-0.2 0.885 109.4 43.8 -56.8 -37.7 29.0 -10.2 21.6 78 87 A K H >X S+ 0 0 160 -4,-2.2 4,-0.9 -5,-0.2 3,-0.5 0.892 111.0 52.9 -74.9 -41.5 31.6 -7.5 22.1 79 88 A I H >< S+ 0 0 17 -4,-1.6 3,-0.9 1,-0.2 7,-0.2 0.914 106.1 54.2 -60.1 -43.1 29.2 -4.6 21.9 80 89 A R H 3< S+ 0 0 120 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.770 108.5 50.3 -62.1 -26.6 27.1 -6.2 24.6 81 90 A Q H << S+ 0 0 153 -4,-0.7 2,-0.7 -3,-0.5 -1,-0.3 0.612 85.8 100.2 -88.6 -14.9 30.1 -6.4 26.9 82 91 A D S+ 0 0 125 -2,-0.7 4,-2.6 1,-0.2 5,-0.2 0.893 91.3 49.0 -55.7 -46.8 29.9 -0.8 29.4 84 93 A T H > S+ 0 0 62 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.923 113.9 45.5 -63.6 -44.9 29.7 2.5 27.6 85 94 A S H > S+ 0 0 7 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.920 113.3 50.7 -61.2 -44.5 27.8 1.1 24.7 86 95 A S H X S+ 0 0 47 -4,-2.8 4,-2.0 -7,-0.2 -2,-0.2 0.900 111.8 47.2 -61.0 -43.6 25.4 -0.8 27.0 87 96 A S H X S+ 0 0 16 -4,-2.6 4,-2.8 -5,-0.2 5,-0.2 0.942 113.1 47.8 -63.3 -49.2 24.7 2.4 29.1 88 97 A I H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.928 111.2 50.8 -62.2 -44.6 24.1 4.5 26.0 89 98 A N H < S+ 0 0 40 -4,-2.7 4,-0.4 1,-0.2 -1,-0.2 0.896 112.4 48.4 -60.5 -40.1 21.8 2.0 24.5 90 99 A F H >< S+ 0 0 45 -4,-2.0 3,-2.0 -5,-0.2 4,-0.3 0.960 108.8 50.4 -64.2 -52.4 19.9 1.8 27.7 91 100 A L H >< S+ 0 0 0 -4,-2.8 3,-1.8 1,-0.3 6,-0.2 0.836 101.5 63.3 -59.1 -33.7 19.5 5.5 28.3 92 101 A T T 3< S+ 0 0 25 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.639 86.5 74.5 -66.5 -12.6 18.2 6.0 24.7 93 102 A R T < S+ 0 0 122 -3,-2.0 2,-0.5 -4,-0.4 -1,-0.3 0.634 78.5 89.9 -74.5 -12.0 15.2 3.8 25.6 94 103 A V S X S- 0 0 2 -3,-1.8 3,-2.1 -4,-0.3 2,-0.2 -0.744 92.6-112.3 -82.2 128.3 13.8 6.7 27.6 95 104 A S T 3 S+ 0 0 34 -2,-0.5 35,-0.4 1,-0.3 36,-0.2 -0.415 104.3 24.8 -61.6 127.7 11.6 9.0 25.4 96 105 A G T 3 S+ 0 0 33 1,-0.2 2,-0.7 -2,-0.2 -1,-0.3 0.170 98.0 101.8 100.4 -18.1 13.4 12.3 24.9 97 106 A I < + 0 0 7 -3,-2.1 -1,-0.2 -6,-0.2 -3,-0.1 -0.911 50.4 174.9 -99.5 115.1 16.9 10.9 25.5 98 107 A G > - 0 0 28 -2,-0.7 4,-2.7 -3,-0.1 5,-0.2 -0.348 50.3 -77.6-103.0-171.1 18.6 10.4 22.1 99 108 A P H > S+ 0 0 31 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.882 129.1 48.7 -57.2 -43.0 22.2 9.4 21.3 100 109 A S H > S+ 0 0 85 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.971 114.7 42.0 -64.6 -54.0 23.6 12.8 22.1 101 110 A A H > S+ 0 0 24 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.883 112.6 56.8 -59.9 -37.5 21.9 13.2 25.5 102 111 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.923 107.9 45.4 -62.2 -43.8 22.7 9.6 26.3 103 112 A R H X S+ 0 0 87 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.892 112.5 52.3 -68.0 -38.3 26.4 10.0 25.8 104 113 A K H X S+ 0 0 119 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.924 109.8 48.3 -62.4 -45.4 26.4 13.3 27.8 105 114 A F H <>S+ 0 0 13 -4,-2.7 5,-3.1 2,-0.2 3,-0.4 0.940 110.0 50.9 -60.8 -48.8 24.6 11.6 30.7 106 115 A V H ><5S+ 0 0 14 -4,-2.3 3,-1.6 1,-0.3 -1,-0.2 0.903 107.3 55.4 -55.8 -41.2 27.0 8.7 30.7 107 116 A D H 3<5S+ 0 0 130 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.868 107.7 48.7 -56.0 -39.4 29.9 11.3 30.8 108 117 A E T 3<5S- 0 0 88 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.383 125.8-103.6 -84.6 3.6 28.3 12.8 33.9 109 118 A G T < 5S+ 0 0 43 -3,-1.6 2,-0.7 -4,-0.3 -3,-0.2 0.712 81.5 131.3 81.3 21.4 28.1 9.4 35.5 110 119 A I < + 0 0 6 -5,-3.1 -1,-0.2 -6,-0.2 -2,-0.2 -0.902 17.4 131.5-106.3 104.7 24.3 9.1 34.9 111 120 A K + 0 0 83 -2,-0.7 2,-0.3 -3,-0.1 -1,-0.1 0.315 49.1 61.3-142.2 10.0 23.9 5.6 33.4 112 121 A T S > S- 0 0 58 1,-0.1 4,-2.5 -22,-0.1 5,-0.2 -0.919 81.7-109.5-134.2 164.7 21.1 3.7 35.2 113 122 A L H > S+ 0 0 42 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.898 122.7 53.1 -53.7 -42.7 17.4 4.0 35.9 114 123 A E H > S+ 0 0 137 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.906 107.4 50.6 -60.0 -42.5 18.4 4.7 39.5 115 124 A D H > S+ 0 0 26 1,-0.2 4,-0.6 2,-0.2 -2,-0.2 0.919 110.5 49.8 -62.3 -45.3 20.7 7.5 38.4 116 125 A L H >< S+ 0 0 1 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.937 106.8 53.8 -57.9 -49.6 18.0 9.1 36.3 117 126 A R H >< S+ 0 0 151 -4,-2.4 3,-0.7 1,-0.3 -1,-0.2 0.853 111.9 45.2 -58.6 -34.5 15.4 9.0 39.1 118 127 A K H 3< S+ 0 0 119 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.511 113.2 51.2 -89.4 -3.2 17.8 10.9 41.5 119 128 A N T X< + 0 0 27 -3,-1.4 3,-2.5 -4,-0.6 4,-0.3 -0.118 63.4 134.4-120.8 35.1 18.8 13.4 38.8 120 129 A E G X + 0 0 83 -3,-0.7 3,-1.8 1,-0.3 -1,-0.1 0.810 66.3 67.1 -52.2 -34.1 15.4 14.5 37.7 121 130 A D G 3 S+ 0 0 116 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.677 95.5 57.3 -63.5 -17.7 16.6 18.1 37.9 122 131 A K G < S+ 0 0 100 -3,-2.5 2,-0.3 -6,-0.2 -1,-0.3 0.488 92.8 86.9 -91.3 -3.8 18.9 17.4 34.9 123 132 A L S < S- 0 0 10 -3,-1.8 -26,-0.0 -4,-0.3 2,-0.0 -0.732 73.6-129.2 -97.9 144.5 16.1 16.2 32.6 124 133 A N > - 0 0 87 -2,-0.3 4,-2.2 -28,-0.1 5,-0.2 -0.234 41.6 -90.4 -75.8 178.2 14.0 18.4 30.4 125 134 A H H > S+ 0 0 111 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.926 126.6 48.4 -58.3 -50.4 10.2 18.1 30.5 126 135 A H H > S+ 0 0 37 1,-0.2 4,-2.7 93,-0.2 3,-0.2 0.931 112.9 48.1 -54.8 -51.1 9.9 15.4 27.8 127 136 A Q H > S+ 0 0 17 -31,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.846 107.3 56.2 -60.7 -36.9 12.7 13.3 29.4 128 137 A R H X S+ 0 0 95 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.887 111.6 42.7 -64.5 -38.7 11.1 13.6 32.9 129 138 A I H X S+ 0 0 14 -4,-1.8 4,-2.2 -3,-0.2 -2,-0.2 0.900 111.5 55.1 -75.0 -41.9 7.8 12.2 31.5 130 139 A G H < S+ 0 0 1 -4,-2.7 -35,-0.2 -35,-0.4 -2,-0.2 0.892 112.1 44.0 -53.3 -42.1 9.7 9.5 29.5 131 140 A L H >< S+ 0 0 7 -4,-2.4 3,-2.1 2,-0.2 4,-0.3 0.949 108.2 57.7 -69.7 -45.9 11.4 8.4 32.7 132 141 A K H 3< S+ 0 0 122 -4,-2.2 3,-0.2 1,-0.3 -2,-0.2 0.871 120.0 30.1 -51.0 -43.1 8.1 8.5 34.8 133 142 A Y T 3X S+ 0 0 19 -4,-2.2 4,-2.8 1,-0.2 -1,-0.3 0.003 80.0 130.3-109.9 29.0 6.5 6.1 32.4 134 143 A F H <> S+ 0 0 26 -3,-2.1 4,-0.7 1,-0.2 -1,-0.2 0.909 79.2 40.2 -48.1 -52.4 9.6 4.1 31.3 135 144 A G H >4 S+ 0 0 45 -4,-0.3 3,-1.1 -3,-0.2 4,-0.5 0.946 115.1 50.9 -65.3 -48.0 8.0 0.7 32.0 136 145 A D H >4 S+ 0 0 35 1,-0.2 3,-1.8 2,-0.2 -2,-0.2 0.904 104.6 57.4 -56.5 -43.6 4.6 1.6 30.6 137 146 A F H 3< S+ 0 0 41 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.684 101.2 57.3 -68.6 -15.4 6.0 3.0 27.3 138 147 A E T << S+ 0 0 94 -3,-1.1 -1,-0.3 -4,-0.7 2,-0.2 0.549 88.7 93.2 -91.4 -3.4 7.7 -0.3 26.6 139 148 A K S < S- 0 0 106 -3,-1.8 2,-0.2 -4,-0.5 -3,-0.0 -0.615 75.7-126.0 -83.7 146.2 4.5 -2.3 26.7 140 149 A R - 0 0 140 -2,-0.2 40,-0.2 104,-0.0 -2,-0.1 -0.529 19.2-121.8 -84.6 159.9 2.5 -2.9 23.5 141 150 A I E -A 179 0A 1 38,-3.3 38,-2.3 -2,-0.2 40,-0.1 -0.894 22.6-129.7-104.5 121.1 -1.2 -2.0 23.2 142 151 A P E >> -A 178 0A 53 0, 0.0 4,-2.0 0, 0.0 3,-0.8 -0.383 21.6-118.9 -67.2 149.2 -3.6 -4.8 22.4 143 152 A R H 3> S+ 0 0 57 34,-2.3 4,-2.5 1,-0.3 5,-0.2 0.853 114.5 62.0 -58.1 -34.0 -5.8 -4.0 19.5 144 153 A E H 3> S+ 0 0 149 33,-0.3 4,-1.6 1,-0.2 -1,-0.3 0.909 106.4 44.4 -58.0 -41.1 -8.8 -4.4 21.8 145 154 A E H <> S+ 0 0 30 -3,-0.8 4,-2.3 2,-0.2 -1,-0.2 0.880 109.2 56.6 -69.9 -36.2 -7.5 -1.5 23.9 146 155 A M H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.885 105.1 52.6 -60.9 -37.4 -6.8 0.5 20.7 147 156 A L H X S+ 0 0 76 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.909 109.3 48.5 -65.2 -40.4 -10.5 0.1 19.8 148 157 A Q H X S+ 0 0 65 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.882 112.8 48.2 -64.0 -38.0 -11.5 1.4 23.2 149 158 A M H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.909 108.4 54.8 -70.1 -40.3 -9.1 4.3 22.8 150 159 A Q H X S+ 0 0 43 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.920 106.8 51.0 -55.7 -48.5 -10.5 5.0 19.3 151 160 A D H X S+ 0 0 95 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.946 111.3 47.6 -57.4 -50.3 -14.0 5.2 20.6 152 161 A I H X S+ 0 0 37 -4,-1.9 4,-2.7 2,-0.2 5,-0.3 0.943 115.9 42.9 -57.0 -52.6 -13.0 7.7 23.3 153 162 A V H X S+ 0 0 2 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.942 116.3 46.6 -63.5 -47.0 -11.1 10.0 21.0 154 163 A L H X S+ 0 0 60 -4,-3.1 4,-1.9 -5,-0.2 -1,-0.2 0.921 116.2 46.1 -62.7 -40.4 -13.6 9.8 18.1 155 164 A N H X S+ 0 0 72 -4,-2.8 4,-1.7 -5,-0.3 -1,-0.2 0.906 113.8 46.4 -70.7 -38.7 -16.5 10.5 20.5 156 165 A E H X S+ 0 0 21 -4,-2.7 4,-1.3 -5,-0.3 -2,-0.2 0.906 111.1 52.7 -69.3 -40.9 -14.8 13.3 22.4 157 166 A V H >X S+ 0 0 5 -4,-2.5 4,-2.2 -5,-0.3 3,-0.5 0.922 107.7 51.7 -58.9 -44.7 -13.7 15.0 19.2 158 167 A K H 3< S+ 0 0 130 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.887 105.4 56.1 -58.5 -40.9 -17.3 14.9 17.9 159 168 A K H 3< S+ 0 0 140 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.812 107.9 49.3 -61.5 -30.2 -18.4 16.5 21.1 160 169 A V H << S- 0 0 40 -4,-1.3 2,-0.3 -3,-0.5 -2,-0.2 0.940 138.1 -18.2 -73.9 -49.2 -16.0 19.4 20.4 161 170 A D >< - 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