==== 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 4KLM . 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) . 17532.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 68.7 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 . 14 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 11.0 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 2 1 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 0 174 0, 0.0 3,-0.7 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 73.5 9.0 -15.0 11.3 2 11 A L T 3 + 0 0 99 36,-0.3 3,-0.1 1,-0.2 36,-0.1 0.710 360.0 32.0 -73.8 -22.0 11.1 -17.5 9.3 3 12 A N T 3> S+ 0 0 13 35,-0.2 4,-2.5 1,-0.1 3,-0.3 -0.090 72.7 136.0-131.8 34.1 14.3 -15.5 9.9 4 13 A G H <> S+ 0 0 22 -3,-0.7 4,-2.4 1,-0.2 5,-0.2 0.798 71.4 57.9 -55.4 -35.5 13.7 -13.9 13.3 5 14 A G H > S+ 0 0 34 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.957 111.1 41.0 -62.3 -50.2 17.3 -14.6 14.4 6 15 A I H > S+ 0 0 5 -3,-0.3 4,-2.5 2,-0.2 5,-0.2 0.914 115.2 49.6 -63.6 -47.4 18.8 -12.7 11.5 7 16 A T H X S+ 0 0 22 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.909 110.4 50.8 -65.9 -36.9 16.4 -9.8 11.6 8 17 A D H X S+ 0 0 109 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.928 110.3 51.4 -60.6 -42.9 16.9 -9.4 15.4 9 18 A M H X S+ 0 0 6 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.933 111.0 46.6 -58.9 -46.6 20.7 -9.4 14.7 10 19 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.859 110.8 52.6 -68.5 -35.2 20.4 -6.7 12.1 11 20 A T H X S+ 0 0 57 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.896 108.9 49.7 -64.7 -41.3 18.1 -4.6 14.4 12 21 A E H X S+ 0 0 65 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.901 111.4 49.1 -63.7 -41.3 20.6 -4.8 17.2 13 22 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.921 110.8 50.9 -62.2 -44.2 23.3 -3.7 14.8 14 23 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.928 109.6 49.8 -58.5 -46.8 21.1 -0.8 13.6 15 24 A N H X S+ 0 0 62 -4,-2.6 4,-3.1 1,-0.2 5,-0.4 0.895 109.4 51.8 -62.4 -39.2 20.5 0.3 17.2 16 25 A F H X>S+ 0 0 25 -4,-2.2 4,-2.5 1,-0.2 5,-1.9 0.948 110.6 47.8 -60.3 -50.6 24.2 0.3 18.0 17 26 A E H <>S+ 0 0 8 -4,-2.5 6,-2.8 3,-0.2 5,-0.6 0.886 118.6 40.9 -59.6 -39.3 24.9 2.4 14.9 18 27 A K H <5S+ 0 0 76 -4,-2.5 -2,-0.2 4,-0.2 -1,-0.2 0.970 125.2 31.7 -71.9 -52.5 22.2 4.9 15.8 19 28 A N H <5S+ 0 0 15 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.858 134.8 19.3 -79.4 -38.1 22.6 5.1 19.5 20 29 A V T <5S+ 0 0 11 -4,-2.5 -3,-0.2 -5,-0.4 -4,-0.1 0.878 131.2 35.5-103.1 -52.7 26.3 4.6 20.0 21 30 A S T - 0 0 27 -6,-2.8 4,-2.0 1,-0.1 3,-0.4 -0.811 25.6-179.3-121.4 86.0 25.8 6.9 12.2 24 33 A I H > S+ 0 0 82 -2,-0.5 4,-2.2 1,-0.2 -1,-0.1 0.783 78.5 52.7 -65.5 -29.1 22.3 7.4 10.9 25 34 A H H > S+ 0 0 151 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.882 109.3 49.4 -76.0 -33.6 22.9 6.1 7.4 26 35 A K H > S+ 0 0 120 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.878 110.2 52.7 -67.0 -38.9 24.3 2.8 8.8 27 36 A Y H X S+ 0 0 27 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.933 111.5 45.1 -58.2 -48.8 21.2 2.6 11.0 28 37 A N H X S+ 0 0 41 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.884 110.8 54.7 -66.5 -36.5 19.0 3.1 8.0 29 38 A A H X S+ 0 0 49 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.926 110.3 45.2 -60.8 -46.4 21.0 0.5 6.0 30 39 A Y H X S+ 0 0 23 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.914 113.4 49.3 -65.5 -41.3 20.6 -2.2 8.8 31 40 A R H X S+ 0 0 52 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.868 109.8 52.1 -66.7 -37.2 16.9 -1.5 9.2 32 41 A K H X S+ 0 0 98 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.896 111.7 46.5 -64.4 -42.0 16.3 -1.7 5.5 33 42 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 22,-0.3 5,-0.2 0.905 111.3 51.3 -67.9 -40.6 18.1 -5.0 5.3 34 43 A A H X S+ 0 0 8 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.920 111.9 48.3 -61.2 -41.4 16.1 -6.4 8.3 35 44 A S H X S+ 0 0 10 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.906 110.7 48.0 -68.2 -43.2 12.9 -5.3 6.7 36 45 A V H X S+ 0 0 17 -4,-2.1 4,-0.8 1,-0.2 -1,-0.2 0.880 115.9 46.0 -67.5 -34.1 13.6 -6.9 3.3 37 46 A I H < S+ 0 0 0 -4,-2.2 3,-0.5 1,-0.2 -2,-0.2 0.879 104.9 62.2 -72.3 -37.9 14.7 -10.1 5.1 38 47 A A H < S+ 0 0 67 -4,-2.5 -36,-0.3 1,-0.2 -1,-0.2 0.824 109.9 39.3 -56.4 -34.7 11.6 -10.0 7.3 39 48 A K H < S+ 0 0 124 -4,-1.3 -1,-0.2 -3,-0.1 -2,-0.2 0.599 84.6 113.1 -97.4 -10.9 9.3 -10.3 4.4 40 49 A Y < - 0 0 50 -4,-0.8 -38,-0.2 -3,-0.5 4,-0.1 -0.449 64.3-144.0 -57.6 123.4 11.3 -12.8 2.4 41 50 A P S S+ 0 0 95 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.125 70.1 76.5 -90.8 25.6 9.1 -15.9 2.5 42 51 A H S S- 0 0 109 -39,-0.0 2,-0.7 0, 0.0 -40,-0.1 -0.966 86.9-109.6-127.7 147.9 11.9 -18.5 2.7 43 52 A K - 0 0 157 -2,-0.3 2,-0.1 1,-0.1 -40,-0.1 -0.682 48.4-116.9 -72.3 115.8 14.0 -19.6 5.7 44 53 A I - 0 0 5 -2,-0.7 3,-0.1 1,-0.1 -1,-0.1 -0.334 32.1-175.6 -66.7 128.9 17.4 -18.2 4.7 45 54 A K + 0 0 173 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.634 63.0 1.8 -96.4 -19.5 20.1 -20.8 4.1 46 55 A S > - 0 0 38 1,-0.1 4,-1.7 22,-0.0 -1,-0.2 -0.993 66.4-106.7-163.2 162.9 23.1 -18.6 3.4 47 56 A G H > S+ 0 0 0 -2,-0.3 4,-2.9 2,-0.2 5,-0.2 0.903 117.5 57.0 -60.6 -43.0 24.5 -15.1 3.2 48 57 A A H > S+ 0 0 64 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.906 105.0 50.9 -58.6 -42.7 24.7 -15.4 -0.6 49 58 A E H >4 S+ 0 0 30 1,-0.2 3,-0.8 2,-0.2 -1,-0.2 0.924 112.9 47.1 -59.0 -42.7 21.0 -16.2 -0.7 50 59 A A H >< S+ 0 0 0 -4,-1.7 3,-2.7 1,-0.2 -2,-0.2 0.895 100.4 65.4 -65.6 -41.6 20.4 -13.1 1.4 51 60 A K H 3< S+ 0 0 100 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.699 87.6 70.7 -58.2 -19.0 22.6 -10.9 -0.8 52 61 A K T << S+ 0 0 178 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.697 84.0 88.4 -69.3 -17.3 20.2 -11.4 -3.6 53 62 A L S X S- 0 0 26 -3,-2.7 3,-1.6 -4,-0.2 2,-0.4 -0.589 91.8-107.2 -83.7 142.7 17.8 -9.1 -1.7 54 63 A P T 3 S+ 0 0 93 0, 0.0 -18,-0.1 0, 0.0 3,-0.1 -0.561 107.4 30.9 -71.5 126.8 17.9 -5.4 -2.2 55 64 A G T 3 S+ 0 0 37 -2,-0.4 2,-0.6 1,-0.3 -22,-0.3 0.101 96.9 101.4 109.9 -18.7 19.4 -3.7 0.8 56 65 A V < + 0 0 9 -3,-1.6 -1,-0.3 -6,-0.2 2,-0.1 -0.892 49.6 170.8-103.5 120.7 21.6 -6.7 1.7 57 66 A G > - 0 0 32 -2,-0.6 4,-2.3 -3,-0.1 5,-0.1 -0.276 49.5 -72.8-113.4-162.2 25.3 -6.3 0.7 58 67 A T H > S+ 0 0 85 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.905 125.6 49.6 -63.8 -44.6 28.6 -8.1 1.1 59 68 A K H > S+ 0 0 140 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.935 114.4 43.3 -65.4 -48.0 29.1 -7.1 4.8 60 69 A I H > S+ 0 0 15 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.905 111.4 56.0 -64.8 -38.6 25.6 -8.1 5.9 61 70 A A H X S+ 0 0 8 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.948 108.1 48.5 -56.5 -46.2 26.0 -11.3 3.8 62 71 A E H X S+ 0 0 126 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.901 111.2 49.5 -59.4 -42.0 29.2 -12.1 5.8 63 72 A K H X S+ 0 0 30 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.893 108.8 53.3 -65.1 -38.4 27.4 -11.4 9.1 64 73 A I H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.896 106.8 52.0 -64.8 -39.2 24.6 -13.7 8.1 65 74 A D H X S+ 0 0 78 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.943 111.4 46.6 -62.6 -47.3 27.0 -16.5 7.3 66 75 A E H X S+ 0 0 36 -4,-2.2 4,-2.4 1,-0.2 6,-0.5 0.916 113.2 50.2 -56.9 -42.8 28.6 -16.2 10.8 67 76 A F H X S+ 0 0 44 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.883 111.7 46.2 -68.2 -39.2 25.1 -16.0 12.4 68 77 A L H < S+ 0 0 72 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.911 115.2 48.4 -66.1 -42.8 23.9 -19.2 10.6 69 78 A A H < S+ 0 0 85 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.897 132.1 11.6 -64.2 -42.2 27.1 -21.0 11.4 70 79 A T H < S- 0 0 82 -4,-2.4 -3,-0.2 2,-0.3 -2,-0.2 0.614 92.8-118.1-118.7 -18.9 27.3 -20.2 15.1 71 80 A G S < S+ 0 0 48 -4,-2.0 2,-0.3 -5,-0.5 -4,-0.2 0.483 87.1 57.7 88.7 4.0 24.0 -18.7 16.1 72 81 A K S S- 0 0 85 -6,-0.5 2,-0.5 -63,-0.0 -2,-0.3 -0.916 75.2-118.4-152.9 178.2 25.6 -15.4 17.1 73 82 A L >> - 0 0 3 -2,-0.3 4,-2.6 1,-0.1 3,-0.7 -0.970 10.7-153.6-130.3 114.8 27.8 -12.5 16.0 74 83 A R H 3> S+ 0 0 166 -2,-0.5 4,-2.4 1,-0.3 5,-0.3 0.909 98.1 59.3 -51.0 -45.7 31.1 -11.9 17.7 75 84 A K H 3> S+ 0 0 86 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.874 110.8 41.0 -51.3 -43.1 30.8 -8.2 16.9 76 85 A L H <> S+ 0 0 3 -3,-0.7 4,-2.9 2,-0.2 -1,-0.2 0.850 108.2 60.7 -74.3 -36.8 27.6 -8.0 18.9 77 86 A E H X S+ 0 0 73 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.920 109.6 43.5 -54.4 -42.8 28.9 -10.2 21.7 78 87 A K H X S+ 0 0 154 -4,-2.4 4,-1.0 2,-0.2 3,-0.3 0.889 110.8 53.7 -72.1 -40.2 31.6 -7.6 22.3 79 88 A I H >< S+ 0 0 19 -4,-1.5 3,-0.8 -5,-0.3 7,-0.2 0.922 107.4 52.5 -60.2 -42.3 29.2 -4.7 22.0 80 89 A R H 3< S+ 0 0 111 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.795 108.6 49.9 -63.1 -31.0 27.0 -6.3 24.7 81 90 A Q H 3< S+ 0 0 143 -4,-1.1 2,-0.6 -3,-0.3 -1,-0.2 0.635 87.6 101.4 -82.0 -16.4 30.0 -6.7 27.1 82 91 A D S+ 0 0 126 -2,-0.6 4,-2.7 1,-0.2 5,-0.2 0.903 89.9 47.3 -57.2 -48.4 29.8 -1.0 29.6 84 93 A T H > S+ 0 0 64 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.932 114.9 45.5 -63.9 -45.9 29.7 2.4 27.9 85 94 A S H > S+ 0 0 11 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.911 114.7 49.3 -61.6 -42.9 27.9 1.1 24.8 86 95 A S H X S+ 0 0 47 -4,-2.7 4,-2.3 -7,-0.2 -2,-0.2 0.889 111.9 48.1 -62.5 -42.7 25.4 -0.7 27.0 87 96 A S H X S+ 0 0 17 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.943 112.6 47.7 -64.7 -48.1 24.8 2.3 29.2 88 97 A I H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.926 111.7 50.8 -61.9 -44.3 24.3 4.6 26.2 89 98 A N H < S+ 0 0 40 -4,-2.6 4,-0.4 -5,-0.2 -1,-0.2 0.914 110.7 49.9 -59.7 -44.1 21.9 2.1 24.6 90 99 A F H >< S+ 0 0 47 -4,-2.3 3,-2.1 1,-0.2 4,-0.3 0.958 108.2 50.9 -58.3 -54.0 19.9 1.8 27.8 91 100 A L H >< S+ 0 0 0 -4,-2.5 3,-1.9 1,-0.3 -1,-0.2 0.844 100.4 63.0 -56.9 -36.3 19.5 5.6 28.3 92 101 A T T 3< S+ 0 0 24 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.650 86.5 75.5 -66.1 -12.4 18.2 6.1 24.7 93 102 A R T < S+ 0 0 123 -3,-2.1 2,-0.5 -4,-0.4 -1,-0.3 0.681 77.7 88.8 -72.8 -16.3 15.3 3.9 25.7 94 103 A V S X S- 0 0 3 -3,-1.9 3,-2.1 -4,-0.3 37,-0.1 -0.706 93.3-111.7 -78.4 127.9 13.9 6.8 27.6 95 104 A S T 3 S+ 0 0 37 -2,-0.5 35,-0.4 1,-0.3 36,-0.2 -0.412 104.6 24.9 -61.1 130.5 11.7 9.1 25.4 96 105 A G T 3 S+ 0 0 31 1,-0.2 2,-0.7 -4,-0.2 -1,-0.3 0.165 98.0 102.1 97.1 -18.0 13.4 12.4 24.9 97 106 A I < + 0 0 6 -3,-2.1 -1,-0.2 -6,-0.2 -3,-0.1 -0.898 50.8 175.0 -97.8 112.6 16.9 11.0 25.5 98 107 A G > - 0 0 28 -2,-0.7 4,-2.7 -3,-0.1 5,-0.2 -0.351 50.2 -77.2-101.8-170.7 18.7 10.5 22.2 99 108 A P H > S+ 0 0 29 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.865 128.2 49.4 -57.7 -39.5 22.3 9.4 21.3 100 109 A S H > S+ 0 0 85 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.969 115.1 40.8 -67.8 -52.8 23.7 12.8 22.2 101 110 A A H > S+ 0 0 25 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.867 112.6 56.8 -61.5 -36.0 22.1 13.3 25.5 102 111 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.932 109.2 44.9 -62.9 -43.3 22.7 9.6 26.4 103 112 A R H X S+ 0 0 85 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.872 112.9 52.0 -67.9 -36.6 26.4 10.0 25.9 104 113 A K H X S+ 0 0 131 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.921 110.1 48.4 -64.3 -45.8 26.4 13.3 27.8 105 114 A F H >X>S+ 0 0 11 -4,-2.8 5,-2.7 1,-0.2 3,-0.8 0.949 110.1 50.6 -59.4 -50.0 24.6 11.7 30.8 106 115 A V H ><5S+ 0 0 14 -4,-2.4 3,-1.0 1,-0.3 -1,-0.2 0.858 106.4 57.1 -57.7 -35.6 27.1 8.7 30.8 107 116 A D H 3<5S+ 0 0 131 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.830 107.4 48.0 -60.3 -34.8 29.9 11.3 30.8 108 117 A E H <<5S- 0 0 84 -4,-1.3 -1,-0.2 -3,-0.8 -2,-0.2 0.462 125.1-103.1 -86.5 -3.7 28.4 12.8 34.0 109 118 A G T <<5S+ 0 0 44 -3,-1.0 2,-0.7 -4,-0.5 -3,-0.2 0.677 81.9 130.8 86.2 18.9 28.1 9.4 35.6 110 119 A I < + 0 0 5 -5,-2.7 -1,-0.3 -6,-0.2 -2,-0.2 -0.911 19.0 131.7-102.3 108.0 24.4 9.1 35.0 111 120 A K + 0 0 77 -2,-0.7 2,-0.3 -3,-0.1 -1,-0.1 0.346 48.9 57.5-145.5 7.5 23.9 5.7 33.5 112 121 A T S > S- 0 0 58 -3,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.911 83.8-104.4-135.1 168.7 21.1 3.7 35.2 113 122 A L H > S+ 0 0 43 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.898 122.8 53.1 -54.9 -42.7 17.5 4.1 36.0 114 123 A E H > S+ 0 0 151 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.921 107.6 51.1 -60.2 -43.6 18.4 4.9 39.6 115 124 A D H > S+ 0 0 24 1,-0.2 4,-0.7 2,-0.2 -2,-0.2 0.904 110.3 48.5 -59.7 -46.2 20.8 7.6 38.4 116 125 A L H >< S+ 0 0 1 -4,-2.3 3,-1.1 1,-0.2 -1,-0.2 0.926 108.4 54.4 -59.9 -46.5 18.1 9.2 36.3 117 126 A R H >< S+ 0 0 145 -4,-2.4 3,-0.8 1,-0.3 -1,-0.2 0.870 110.8 44.7 -59.7 -37.8 15.5 9.2 39.0 118 127 A K H 3< S+ 0 0 146 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.565 114.6 50.9 -84.7 -6.9 17.8 11.0 41.5 119 128 A N T X< + 0 0 28 -3,-1.1 3,-2.6 -4,-0.7 -1,-0.2 -0.072 62.2 132.4-119.9 32.1 18.8 13.5 38.8 120 129 A E G X + 0 0 78 -3,-0.8 3,-2.3 1,-0.3 -1,-0.1 0.824 67.3 68.9 -48.6 -36.5 15.4 14.6 37.5 121 130 A D G 3 S+ 0 0 117 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.689 94.2 56.8 -58.4 -21.0 16.6 18.2 37.8 122 131 A K G < S+ 0 0 96 -3,-2.6 2,-0.3 -6,-0.2 -1,-0.3 0.424 93.6 90.2 -89.7 1.1 19.0 17.5 34.9 123 132 A L S < S- 0 0 17 -3,-2.3 2,-0.1 -4,-0.2 -26,-0.0 -0.745 71.9-129.9-102.4 143.2 16.1 16.4 32.6 124 133 A N > - 0 0 84 -2,-0.3 4,-2.4 -28,-0.1 5,-0.2 -0.280 41.7 -92.7 -76.2 175.8 14.1 18.5 30.2 125 134 A H H > S+ 0 0 107 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.931 125.7 48.0 -59.6 -51.0 10.3 18.2 30.3 126 135 A H H > S+ 0 0 39 1,-0.2 4,-2.5 93,-0.2 -1,-0.2 0.935 113.6 48.1 -51.8 -51.6 10.0 15.6 27.6 127 136 A Q H > S+ 0 0 16 -31,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.853 107.3 56.3 -60.3 -37.2 12.8 13.5 29.3 128 137 A R H X S+ 0 0 100 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.907 111.0 42.9 -65.1 -40.2 11.1 13.8 32.7 129 138 A I H X S+ 0 0 13 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.884 110.9 55.8 -72.5 -38.7 7.9 12.3 31.4 130 139 A G H < S+ 0 0 1 -4,-2.5 -35,-0.2 -35,-0.4 -2,-0.2 0.891 111.6 44.6 -57.5 -40.1 9.7 9.6 29.5 131 140 A L H >< S+ 0 0 8 -4,-2.3 3,-2.0 2,-0.2 4,-0.3 0.945 107.5 58.1 -67.2 -48.3 11.4 8.6 32.7 132 141 A K H 3< S+ 0 0 124 -4,-2.3 3,-0.2 1,-0.3 -2,-0.2 0.853 120.3 29.0 -50.4 -40.4 8.1 8.8 34.7 133 142 A Y T 3X S+ 0 0 18 -4,-1.9 4,-2.6 1,-0.2 -1,-0.3 0.062 80.0 131.6-112.9 24.4 6.6 6.2 32.4 134 143 A F H <> S+ 0 0 28 -3,-2.0 4,-0.6 1,-0.2 -1,-0.2 0.885 78.8 39.9 -42.6 -54.0 9.7 4.3 31.3 135 144 A G H >4 S+ 0 0 45 -4,-0.3 3,-1.3 1,-0.2 4,-0.4 0.949 114.5 51.8 -66.5 -47.8 8.1 0.9 32.0 136 145 A D H >4 S+ 0 0 36 1,-0.2 3,-1.6 2,-0.2 -1,-0.2 0.886 103.7 58.3 -54.4 -42.1 4.7 1.7 30.6 137 146 A F H 3< S+ 0 0 41 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.644 100.8 56.4 -71.1 -14.0 6.1 3.0 27.3 138 147 A E T << S+ 0 0 95 -3,-1.3 -1,-0.3 -4,-0.6 2,-0.3 0.505 88.7 94.0 -94.4 -2.8 7.8 -0.2 26.5 139 148 A K S < S- 0 0 111 -3,-1.6 2,-0.1 -4,-0.4 -3,-0.0 -0.634 75.9-125.0 -84.2 145.3 4.6 -2.2 26.8 140 149 A R - 0 0 138 -2,-0.3 40,-0.2 104,-0.0 -2,-0.1 -0.456 18.6-120.9 -83.6 164.3 2.6 -2.9 23.6 141 150 A I E -A 179 0A 1 38,-3.0 38,-2.3 -2,-0.1 40,-0.1 -0.913 21.7-130.8-109.0 117.4 -1.1 -2.0 23.2 142 151 A P E >> -A 178 0A 56 0, 0.0 4,-2.1 0, 0.0 3,-1.0 -0.367 21.4-120.6 -64.9 144.4 -3.5 -4.8 22.4 143 152 A R H 3> S+ 0 0 57 34,-2.5 4,-2.5 1,-0.3 5,-0.2 0.832 113.2 63.3 -54.7 -30.1 -5.8 -4.0 19.5 144 153 A E H 3> S+ 0 0 145 33,-0.3 4,-1.3 1,-0.2 -1,-0.3 0.907 106.9 42.2 -63.3 -40.5 -8.7 -4.4 21.9 145 154 A E H <> S+ 0 0 30 -3,-1.0 4,-2.5 2,-0.2 -1,-0.2 0.835 109.4 58.3 -70.8 -35.6 -7.5 -1.5 23.9 146 155 A M H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.901 104.9 51.9 -61.4 -37.8 -6.7 0.5 20.8 147 156 A L H X S+ 0 0 76 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.901 109.8 47.9 -64.7 -39.9 -10.3 0.1 19.8 148 157 A Q H X S+ 0 0 60 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.890 112.5 49.5 -66.6 -37.3 -11.4 1.5 23.2 149 158 A M H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.890 109.4 52.2 -68.2 -38.9 -9.0 4.3 22.8 150 159 A Q H X S+ 0 0 42 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.910 107.0 53.0 -60.9 -46.7 -10.3 5.0 19.3 151 160 A D H X S+ 0 0 96 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.939 111.4 46.1 -55.4 -49.9 -13.9 5.2 20.6 152 161 A I H X S+ 0 0 37 -4,-1.9 4,-2.5 2,-0.2 5,-0.3 0.937 114.9 45.7 -60.0 -50.8 -13.0 7.7 23.2 153 162 A V H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.948 114.8 45.8 -62.3 -49.9 -11.0 10.0 20.9 154 163 A L H X S+ 0 0 60 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.905 116.1 46.6 -60.9 -41.2 -13.5 10.0 18.1 155 164 A N H X S+ 0 0 72 -4,-2.3 4,-1.5 -5,-0.3 -1,-0.2 0.892 113.5 46.9 -69.8 -37.0 -16.4 10.6 20.4 156 165 A E H X S+ 0 0 21 -4,-2.5 4,-1.1 -5,-0.2 -2,-0.2 0.871 111.9 51.0 -72.7 -36.6 -14.7 13.4 22.4 157 166 A V H >X S+ 0 0 5 -4,-2.4 4,-2.1 -5,-0.3 3,-0.8 0.945 108.2 52.6 -63.2 -47.6 -13.6 15.1 19.1 158 167 A K H 3< S+ 0 0 130 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.856 105.0 56.4 -51.7 -39.4 -17.2 14.9 17.8 159 168 A K H 3< S+ 0 0 139 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.794 107.0 49.4 -67.6 -29.0 -18.3 16.6 21.1 160 169 A V H << S- 0 0 37 -4,-1.1 2,-0.3 -3,-0.8 -2,-0.2 0.938 137.7 -17.7 -73.1 -50.1 -15.9 19.5 20.4 161 170 A D >< - 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