==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 29-JAN-04 1S76 . COMPND 2 MOLECULE: DNA (5'- . SOURCE 2 SYNTHETIC: YES; . AUTHOR Y.W.YIN,T.A.STEITZ . 829 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39935.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 570 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 55 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 97 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 342 41.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.4 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 2 3 1 0 4 2 4 0 1 3 0 2 2 0 0 0 1 0 0 1 0 1 0 1 0 1 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 7 3 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 . 4 3 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 12 D S 0 0 121 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -6.2 -20.7 18.9 71.1 2 13 D D - 0 0 36 4,-0.0 2,-0.2 3,-0.0 10,-0.0 -0.967 360.0-172.8-140.7 121.9 -19.2 22.0 69.5 3 14 D I > - 0 0 123 -2,-0.4 3,-1.5 1,-0.1 2,-0.9 -0.697 50.0 -65.3-110.8 165.5 -19.9 25.6 70.3 4 15 D E T 3 S+ 0 0 149 1,-0.2 3,-0.1 -2,-0.2 -1,-0.1 -0.241 116.4 68.9 -50.3 90.6 -18.9 28.9 68.7 5 16 D L T 3 + 0 0 149 -2,-0.9 2,-1.7 1,-0.1 3,-0.4 0.148 57.9 110.0-177.6 -28.6 -15.2 28.7 69.3 6 17 D A < + 0 0 32 -3,-1.5 -1,-0.1 1,-0.2 -4,-0.0 -0.501 35.7 130.5 -67.5 90.5 -14.1 25.9 67.0 7 18 D A + 0 0 72 -2,-1.7 -1,-0.2 1,-0.2 259,-0.1 0.622 54.6 63.2-116.6 -25.7 -12.2 28.1 64.6 8 19 D I S >> S- 0 0 104 -3,-0.4 4,-1.1 257,-0.0 3,-0.5 -0.839 78.8-145.2-108.9 98.2 -8.9 26.3 64.3 9 20 D P T 34 S+ 0 0 23 0, 0.0 2,-4.0 0, 0.0 -2,-0.1 0.246 76.3 32.0 -47.6 178.9 -9.3 22.8 62.8 10 21 D F T 3> S+ 0 0 54 1,-0.3 4,-2.8 12,-0.1 5,-0.4 -0.192 114.5 62.0 62.9 -53.8 -7.2 19.7 63.7 11 22 D N H <> S+ 0 0 90 -2,-4.0 4,-1.6 -3,-0.5 -1,-0.3 0.915 109.7 41.3 -63.9 -40.4 -6.9 21.1 67.3 12 23 D T H < S+ 0 0 19 -4,-1.1 -1,-0.2 2,-0.2 5,-0.1 0.887 118.3 45.4 -72.6 -42.8 -10.6 20.8 67.5 13 24 D L H >> S+ 0 0 0 3,-0.2 4,-4.4 2,-0.1 3,-1.3 0.956 115.9 44.6 -66.4 -52.8 -10.9 17.4 65.7 14 25 D A H 3X S+ 0 0 20 -4,-2.8 4,-3.2 1,-0.3 -2,-0.2 0.945 111.7 49.5 -58.2 -55.2 -8.0 15.7 67.6 15 26 D D H 3< S+ 0 0 122 -4,-1.6 -1,-0.3 -5,-0.4 -2,-0.1 0.263 124.9 36.4 -71.4 17.4 -8.9 16.9 71.1 16 27 D H H <4 S+ 0 0 78 -3,-1.3 -2,-0.3 2,-0.0 -1,-0.2 0.530 138.3 10.6-134.4 -40.3 -12.4 15.6 70.1 17 28 D Y H < S- 0 0 65 -4,-4.4 4,-0.4 1,-0.1 -3,-0.2 0.282 113.0 -90.2-129.2 7.9 -11.8 12.5 68.0 18 29 D G >X - 0 0 33 -4,-3.2 4,-2.2 -5,-0.4 3,-0.9 0.311 35.3 -99.1 88.1 138.0 -8.1 11.8 68.4 19 30 D E H 3> S+ 0 0 110 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.598 120.2 68.1 -66.6 -9.2 -5.4 13.3 66.1 20 31 D R H 3> S+ 0 0 176 2,-0.2 4,-1.2 -6,-0.1 -1,-0.2 0.881 111.2 30.7 -76.5 -38.1 -5.4 9.9 64.3 21 32 D L H <> S+ 0 0 38 -3,-0.9 4,-2.7 -4,-0.4 -2,-0.2 0.734 114.8 61.3 -89.5 -26.6 -8.9 10.6 62.9 22 33 D A H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.934 108.3 44.9 -63.6 -43.8 -8.4 14.3 62.9 23 34 D R H X S+ 0 0 137 -4,-1.5 4,-3.5 2,-0.2 5,-0.2 0.934 111.9 50.8 -65.4 -48.5 -5.6 13.8 60.4 24 35 D E H X S+ 0 0 56 -4,-1.2 4,-3.0 2,-0.2 -2,-0.2 0.965 111.0 49.4 -54.5 -53.9 -7.5 11.3 58.3 25 36 D Q H X S+ 0 0 1 -4,-2.7 4,-2.3 1,-0.2 3,-0.4 0.954 116.4 40.7 -48.1 -63.7 -10.5 13.6 58.0 26 37 D L H X S+ 0 0 35 -4,-2.3 4,-2.1 1,-0.3 -1,-0.2 0.847 111.8 57.8 -53.6 -38.5 -8.3 16.6 57.0 27 38 D A H X S+ 0 0 56 -4,-3.5 4,-1.4 -5,-0.2 -1,-0.3 0.931 109.9 46.1 -58.8 -43.1 -6.3 14.3 54.8 28 39 D L H X S+ 0 0 11 -4,-3.0 4,-3.1 -3,-0.4 5,-0.2 0.925 107.4 51.9 -66.2 -50.9 -9.5 13.4 53.0 29 40 D E H X S+ 0 0 23 -4,-2.3 4,-1.9 1,-0.3 -1,-0.2 0.950 113.1 48.9 -52.3 -47.7 -11.0 16.9 52.5 30 41 D H H X S+ 0 0 124 -4,-2.1 4,-1.9 1,-0.2 -1,-0.3 0.831 109.8 50.7 -60.4 -36.4 -7.6 17.8 51.0 31 42 D E H X S+ 0 0 52 -4,-1.4 4,-3.9 2,-0.2 5,-0.4 0.909 105.0 56.1 -69.4 -41.5 -7.7 14.8 48.7 32 43 D S H X S+ 0 0 2 -4,-3.1 212,-2.0 1,-0.3 4,-1.7 0.916 110.7 45.9 -53.1 -42.5 -11.2 15.6 47.6 33 44 D Y H X S+ 0 0 102 -4,-1.9 4,-2.1 210,-0.3 -1,-0.3 0.859 114.1 49.6 -66.4 -38.6 -9.6 19.0 46.6 34 45 D E H X S+ 0 0 102 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.945 110.5 46.6 -66.4 -52.6 -6.7 17.1 45.0 35 46 D M H X S+ 0 0 37 -4,-3.9 4,-3.1 2,-0.2 5,-0.2 0.853 110.5 58.6 -59.8 -34.4 -8.9 14.6 43.0 36 47 D G H X S+ 0 0 0 -4,-1.7 4,-2.2 -5,-0.4 -2,-0.2 0.994 108.4 40.0 -57.3 -69.1 -10.9 17.7 41.9 37 48 D E H X S+ 0 0 61 -4,-2.1 4,-3.2 1,-0.2 5,-0.2 0.832 114.7 56.9 -49.1 -35.6 -8.0 19.6 40.3 38 49 D A H X S+ 0 0 56 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.983 107.6 45.3 -60.8 -54.3 -6.8 16.3 38.9 39 50 D R H X S+ 0 0 99 -4,-3.1 4,-1.2 2,-0.2 -2,-0.2 0.811 115.1 51.4 -57.6 -31.1 -10.2 15.7 37.2 40 51 D F H >X S+ 0 0 20 -4,-2.2 4,-2.7 -5,-0.2 3,-1.2 0.996 109.8 45.5 -68.4 -67.5 -10.0 19.3 36.0 41 52 D R H 3X S+ 0 0 92 -4,-3.2 4,-1.6 1,-0.3 5,-0.3 0.878 107.6 57.6 -40.4 -56.8 -6.5 19.1 34.6 42 53 D K H 3X S+ 0 0 167 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.3 0.888 116.2 37.6 -43.7 -45.4 -7.2 15.8 32.8 43 54 D M H <>S+ 0 0 28 -4,-2.2 5,-1.3 2,-0.1 3,-1.0 0.806 112.8 49.3 -86.2 -34.7 -9.7 20.0 25.4 48 59 D L G >45S+ 0 0 45 -4,-0.5 3,-1.4 -5,-0.4 2,-0.3 0.952 112.0 47.8 -67.3 -50.6 -6.3 21.6 24.9 49 60 D K G 3<5S+ 0 0 154 -4,-3.7 -1,-0.3 1,-0.3 -2,-0.1 -0.035 115.6 50.0 -80.5 32.6 -5.0 18.6 22.9 50 61 D A G < 5S- 0 0 46 -3,-1.0 -1,-0.3 -2,-0.3 -2,-0.2 0.081 114.4-107.8-156.2 23.7 -8.3 18.9 20.9 51 62 D G T < 5S+ 0 0 25 -3,-1.4 -3,-0.2 62,-0.3 62,-0.2 0.922 86.4 112.7 40.0 71.6 -8.5 22.5 19.9 52 63 D E >>< + 0 0 48 -5,-1.3 3,-1.4 61,-0.2 4,-0.9 0.058 22.8 124.0-155.0 24.8 -11.3 23.5 22.3 53 64 D V G >4 S+ 0 0 6 -6,-0.3 3,-1.0 1,-0.3 6,-0.4 0.883 71.6 64.3 -58.4 -38.8 -9.5 25.8 24.7 54 65 D A G 34 S+ 0 0 6 1,-0.3 -1,-0.3 55,-0.2 6,-0.1 0.769 99.3 55.4 -56.3 -25.9 -12.1 28.5 23.8 55 66 D D G <4 S+ 0 0 44 -3,-1.4 -1,-0.3 -8,-0.1 -2,-0.2 0.804 86.8 93.5 -78.7 -30.6 -14.6 26.2 25.4 56 67 D N S XX S- 0 0 5 -3,-1.0 3,-2.1 -4,-0.9 4,-1.2 -0.415 82.6-127.0 -67.2 137.0 -12.8 25.9 28.8 57 68 D A T 34 S+ 0 0 41 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.724 103.8 74.4 -54.9 -23.2 -14.0 28.4 31.3 58 69 D A T 34 S+ 0 0 1 1,-0.2 -1,-0.3 2,-0.2 176,-0.2 0.758 102.7 37.7 -63.9 -25.9 -10.4 29.5 31.8 59 70 D A T X> S+ 0 0 0 -3,-2.1 3,-3.0 -6,-0.4 4,-2.2 0.822 97.4 78.9 -93.6 -36.6 -10.4 31.3 28.5 60 71 D K H 3X S+ 0 0 65 -4,-1.2 4,-2.5 1,-0.3 5,-0.3 0.819 87.3 59.0 -40.0 -46.8 -14.0 32.7 28.6 61 72 D P H 34 S+ 0 0 51 0, 0.0 4,-0.3 0, 0.0 -1,-0.3 0.779 115.3 38.4 -58.4 -24.0 -13.0 35.6 31.0 62 73 D L H X> S+ 0 0 17 -3,-3.0 4,-1.8 2,-0.2 3,-1.2 0.906 111.0 55.4 -88.9 -54.2 -10.6 36.6 28.2 63 74 D I H >X S+ 0 0 11 -4,-2.2 4,-3.2 1,-0.3 3,-0.7 0.912 105.2 55.1 -43.1 -54.5 -12.7 35.9 25.2 64 75 D T H 3< S+ 0 0 69 -4,-2.5 -1,-0.3 1,-0.3 643,-0.2 0.836 110.4 47.1 -49.4 -37.8 -15.4 38.2 26.6 65 76 D T H <> S+ 0 0 79 -3,-1.2 4,-0.5 -4,-0.3 -1,-0.3 0.772 120.3 35.1 -78.8 -28.3 -12.8 40.9 26.9 66 77 D L H S+ 0 0 52 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.941 110.9 54.7 -62.0 -47.3 -16.0 43.2 21.6 69 80 D K H < S+ 0 0 104 -4,-0.5 -2,-0.2 2,-0.2 5,-0.1 0.867 108.5 51.0 -53.4 -39.8 -12.7 44.8 20.7 70 81 D M H >X S+ 0 0 0 -4,-1.8 3,-3.5 1,-0.2 4,-2.4 0.994 111.7 43.0 -60.7 -64.0 -12.5 42.6 17.6 71 82 D I H 3X S+ 0 0 15 -4,-1.9 4,-1.1 1,-0.3 -1,-0.2 0.653 111.4 59.5 -57.1 -15.3 -16.0 43.4 16.3 72 83 D A H 3< S+ 0 0 49 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.462 113.1 36.4 -91.3 -4.5 -15.2 47.0 17.3 73 84 D R H <> S+ 0 0 74 -3,-3.5 4,-1.1 -5,-0.2 -2,-0.2 0.528 110.6 62.7-116.1 -23.4 -12.2 46.8 14.8 74 85 D I H X S+ 0 0 5 -4,-2.4 4,-1.6 2,-0.2 -3,-0.2 0.932 108.2 40.9 -68.3 -48.5 -14.0 44.7 12.3 75 86 D N H X S+ 0 0 66 -4,-1.1 4,-1.7 1,-0.2 5,-0.4 0.950 109.8 57.5 -65.5 -51.9 -16.7 47.3 11.6 76 87 D D H > S+ 0 0 80 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.801 105.2 54.1 -49.8 -33.1 -14.2 50.3 11.6 77 88 D W H X S+ 0 0 33 -4,-1.1 4,-2.2 2,-0.2 -1,-0.3 0.963 107.2 50.7 -66.3 -52.2 -12.3 48.5 8.9 78 89 D F H >X S+ 0 0 20 -4,-1.6 3,-1.6 2,-0.2 4,-1.4 0.960 110.6 44.9 -48.3 -71.3 -15.5 48.2 6.7 79 90 D E H 3X S+ 0 0 147 -4,-1.7 4,-1.0 1,-0.3 3,-0.4 0.844 115.6 51.3 -43.4 -38.7 -16.5 51.9 6.9 80 91 D E H 3X S+ 0 0 117 -4,-1.4 4,-0.7 -5,-0.4 -1,-0.3 0.813 104.5 54.1 -70.7 -31.5 -12.9 52.7 6.2 81 92 D V H << S+ 0 0 3 -4,-2.2 -1,-0.2 -3,-1.6 -2,-0.2 0.657 105.5 57.4 -74.8 -14.1 -12.8 50.4 3.2 82 93 D K H < S+ 0 0 95 -4,-1.4 -2,-0.2 -3,-0.4 -1,-0.2 0.786 96.3 60.0 -83.5 -30.6 -15.8 52.4 2.1 83 94 D A H < S+ 0 0 61 -4,-1.0 2,-0.5 -5,-0.2 -2,-0.2 0.764 85.4 98.9 -67.1 -24.5 -13.7 55.7 2.3 84 95 D K < - 0 0 95 -4,-0.7 2,-1.7 1,-0.1 -3,-0.0 -0.531 68.7-150.6 -70.1 115.8 -11.5 54.0 -0.3 85 96 D R S S+ 0 0 202 -2,-0.5 2,-0.2 2,-0.0 -1,-0.1 -0.533 72.4 26.3 -86.3 70.1 -12.3 55.3 -3.8 86 97 D G S S- 0 0 63 -2,-1.7 2,-0.2 -4,-0.1 -2,-0.0 -0.740 103.6 -2.2-179.8-129.7 -11.3 52.2 -5.7 87 98 D K - 0 0 169 -2,-0.2 -3,-0.0 1,-0.0 -2,-0.0 -0.640 54.2-138.7 -95.2 153.7 -10.9 48.5 -5.3 88 99 D R - 0 0 70 -2,-0.2 5,-0.1 1,-0.0 -6,-0.0 -0.910 26.4-102.3-114.9 136.9 -11.4 46.5 -2.1 89 100 D P >> - 0 0 54 0, 0.0 3,-1.5 0, 0.0 4,-0.8 -0.196 34.1-113.1 -54.0 142.8 -9.3 43.6 -0.7 90 101 D T H 3> S+ 0 0 56 1,-0.3 4,-2.0 2,-0.2 106,-0.1 0.633 113.3 71.9 -53.5 -13.5 -10.7 40.1 -1.3 91 102 D A H 34 S+ 0 0 5 1,-0.2 -1,-0.3 2,-0.2 5,-0.1 0.924 91.3 52.6 -69.6 -45.9 -11.1 40.0 2.5 92 103 D F H X> S+ 0 0 14 -3,-1.5 4,-0.6 1,-0.2 3,-0.6 0.781 110.9 52.5 -60.3 -26.2 -14.0 42.5 2.6 93 104 D Q H >< S+ 0 0 86 -4,-0.8 2,-1.3 1,-0.2 3,-1.0 0.988 112.6 38.1 -73.3 -64.8 -15.7 40.2 0.0 94 105 D F T 3< S+ 0 0 49 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.1 -0.280 120.4 49.5 -84.0 50.4 -15.4 36.9 1.7 95 106 D L T <4 S+ 0 0 5 -2,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.340 89.0 71.6-158.3 -16.2 -16.2 38.4 5.2 96 107 D Q S << S+ 0 0 82 -3,-1.0 -2,-0.1 -4,-0.6 -3,-0.1 0.626 88.2 74.2 -83.1 -13.6 -19.2 40.6 4.7 97 108 D E S S+ 0 0 58 -4,-0.4 -1,-0.1 2,-0.1 -3,-0.1 0.989 90.1 49.8 -62.4 -68.1 -21.3 37.4 4.4 98 109 D I S S- 0 0 5 1,-0.1 40,-0.0 36,-0.1 36,-0.0 -0.299 103.5 -79.1 -75.1 160.4 -21.4 36.1 8.0 99 110 D K > - 0 0 98 1,-0.2 4,-2.4 4,-0.1 -1,-0.1 -0.238 35.9-121.8 -57.4 141.5 -22.4 38.2 11.0 100 111 D P H > S+ 0 0 47 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.532 114.1 58.6 -64.3 -2.4 -19.6 40.5 12.4 101 112 D E H > S+ 0 0 49 2,-0.2 4,-2.5 3,-0.1 5,-0.2 0.896 105.2 43.6 -89.0 -54.6 -20.1 38.5 15.6 102 113 D A H > S+ 0 0 1 2,-0.2 4,-3.8 1,-0.2 5,-0.4 0.932 111.0 59.2 -55.1 -48.1 -19.4 35.0 14.2 103 114 D V H X S+ 0 0 4 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.945 110.9 37.5 -44.0 -69.6 -16.4 36.5 12.4 104 115 D A H X S+ 0 0 0 -4,-0.9 4,-2.1 2,-0.2 3,-0.4 0.921 120.2 47.0 -51.5 -53.6 -14.6 37.8 15.4 105 116 D Y H X S+ 0 0 6 -4,-2.5 4,-3.4 1,-0.3 5,-0.3 0.950 111.4 49.2 -56.0 -54.3 -15.5 34.8 17.6 106 117 D I H X S+ 0 0 0 -4,-3.8 4,-1.4 -5,-0.2 -1,-0.3 0.756 115.1 51.5 -57.2 -23.2 -14.6 32.3 15.0 107 118 D T H X S+ 0 0 0 -4,-1.5 4,-3.6 -5,-0.4 5,-0.4 0.950 114.9 34.2 -73.6 -83.6 -11.4 34.3 14.8 108 119 D I H X S+ 0 0 0 -4,-2.1 4,-1.4 1,-0.2 5,-0.2 0.854 123.0 51.3 -36.5 -50.5 -10.3 34.5 18.4 109 120 D K H >X S+ 0 0 13 -4,-3.4 4,-2.6 -5,-0.3 3,-1.2 0.982 115.9 36.1 -54.7 -68.7 -11.7 31.0 18.9 110 121 D T H 3X S+ 0 0 15 -4,-1.4 4,-2.1 -5,-0.3 -2,-0.2 0.874 111.4 62.0 -54.4 -42.1 -9.9 29.3 16.0 111 122 D T H 3< S+ 0 0 2 -4,-3.6 -1,-0.3 1,-0.2 -2,-0.2 0.812 113.2 36.8 -56.1 -31.3 -6.8 31.4 16.5 112 123 D L H X< S+ 0 0 3 -4,-1.4 3,-1.5 -3,-1.2 -2,-0.2 0.859 110.0 63.4 -86.9 -40.9 -6.4 29.9 20.0 113 124 D A H >< S+ 0 0 15 -4,-2.6 3,-0.7 1,-0.3 -62,-0.3 0.902 113.2 31.5 -49.0 -54.8 -7.7 26.4 19.0 114 125 D C T 3< S+ 0 0 33 -4,-2.1 -1,-0.3 1,-0.2 4,-0.2 0.202 115.1 61.3 -93.6 16.3 -4.9 25.6 16.6 115 126 D L T < S+ 0 0 21 -3,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.031 114.2 33.6-124.5 20.1 -2.3 27.6 18.5 116 127 D T S < S+ 0 0 40 -3,-0.7 -2,-0.2 -68,-0.1 -3,-0.1 0.196 114.7 60.7-150.4 -4.6 -2.6 25.5 21.6 117 128 D S S S+ 0 0 49 -4,-0.3 -3,-0.1 -5,-0.2 2,-0.1 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0.3 5.6 342 376 D A T >4 - 0 0 84 2,-0.2 3,-1.8 1,-0.2 4,-0.4 0.233 360.0 -69.2 60.2 167.5 -29.3 -2.4 5.9 343 377 D W G >> S+ 0 0 193 1,-0.3 3,-1.8 2,-0.2 4,-1.5 0.891 131.3 69.8 -56.0 -41.4 -28.7 -4.4 9.1 344 378 D K G 34 S+ 0 0 123 1,-0.3 -1,-0.3 2,-0.2 -2,-0.2 0.748 79.9 79.7 -49.5 -27.0 -27.5 -1.2 10.7 345 379 D R G << S+ 0 0 151 -3,-1.8 3,-0.4 -4,-0.8 -1,-0.3 0.885 105.6 28.3 -49.9 -45.2 -31.1 0.0 10.6 346 380 D A T X4 S+ 0 0 80 -3,-1.8 3,-0.5 -4,-0.4 2,-0.2 0.787 119.2 57.3 -88.0 -30.8 -32.0 -2.0 13.7 347 381 D A T 3< S+ 0 0 8 -4,-1.5 4,-0.3 1,-0.2 -1,-0.2 -0.190 78.0 98.1 -94.5 41.7 -28.5 -2.0 15.2 348 382 D A T >> S+ 0 0 40 -3,-0.4 3,-0.9 -2,-0.2 4,-0.6 0.823 75.3 56.6 -93.5 -39.1 -28.3 1.9 15.3 349 383 D A H <> S+ 0 0 21 -3,-0.5 4,-3.2 1,-0.2 5,-0.3 0.753 85.7 85.6 -63.8 -24.8 -29.3 2.3 18.9 350 384 D V H 3> S+ 0 0 19 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.893 87.9 52.0 -41.6 -51.1 -26.4 0.1 19.8 351 385 D Y H X> S+ 0 0 163 -3,-0.9 3,-1.5 -4,-0.3 4,-1.2 0.971 115.4 35.4 -51.5 -71.1 -24.1 3.1 19.8 352 386 D R H 3X S+ 0 0 121 -4,-0.6 4,-1.3 1,-0.3 -1,-0.2 0.812 113.7 60.1 -56.4 -33.1 -26.1 5.4 22.1 353 387 D K H 3X S+ 0 0 64 -4,-3.2 4,-1.0 1,-0.2 -1,-0.3 0.758 105.9 48.2 -67.6 -24.8 -27.1 2.5 24.3 354 388 D D H < S+ 0 0 65 -4,-2.1 3,-0.7 1,-0.2 -1,-0.2 0.872 114.0 56.8 -59.8 -38.3 -14.0 -0.5 49.3 373 407 D K H 3< S+ 0 0 77 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.892 115.3 36.8 -60.7 -39.5 -12.0 2.6 50.2 374 408 D F H >< S+ 0 0 3 -4,-2.6 3,-1.0 -3,-0.3 -67,-0.4 0.336 87.7 114.4 -98.0 6.0 -14.2 3.2 53.2 375 409 D A T << S+ 0 0 9 -3,-0.7 3,-0.1 -4,-0.7 4,-0.1 -0.357 74.1 34.6 -67.7 161.9 -14.8 -0.4 54.3 376 410 D N T 3 S+ 0 0 124 1,-0.3 -1,-0.2 -69,-0.2 2,-0.2 0.049 84.8 122.4 80.7 -27.4 -13.1 -1.2 57.7 377 411 D H S < S- 0 0 42 -3,-1.0 -70,-0.3 1,-0.2 -1,-0.3 -0.507 70.8-129.9 -67.5 135.8 -13.8 2.3 59.0 378 412 D K S S- 0 0 197 1,-0.2 2,-0.3 -2,-0.2 -1,-0.2 0.759 82.9 -22.4 -56.8 -22.7 -15.8 1.9 62.2 379 413 D A - 0 0 13 -130,-0.1 2,-0.3 -5,-0.1 -73,-0.3 -0.960 57.1-152.6-179.2 160.8 -18.2 4.5 60.6 380 414 D I B -H 305 0G 1 -75,-3.8 -75,-3.7 -2,-0.3 2,-0.3 -0.989 10.5-154.1-147.5 151.0 -18.5 7.3 58.1 381 415 D W B -C 248 0C 25 -133,-2.1 -133,-3.4 -2,-0.3 -77,-0.1 -0.814 8.7-139.0-125.3 166.8 -20.7 10.4 57.7 382 416 D F - 0 0 1 -81,-0.4 -79,-0.2 -79,-0.4 2,-0.1 -0.990 19.4-131.3-127.5 124.7 -22.1 12.6 55.0 383 417 D P - 0 0 0 0, 0.0 12,-2.6 0, 0.0 2,-0.3 -0.455 29.2-149.0 -70.8 153.2 -22.3 16.3 55.2 384 418 D Y E + G 0 394F 1 10,-0.2 2,-0.2 -87,-0.1 10,-0.2 -0.945 26.7 151.9-129.5 150.9 -25.7 17.8 54.2 385 419 D N E - G 0 393F 9 8,-1.7 8,-2.4 -2,-0.3 2,-0.3 -0.817 34.3-104.4-151.5-170.6 -27.0 20.9 52.6 386 420 D M E -fG 274 392F 0 -113,-3.0 -111,-3.7 -2,-0.2 6,-0.2 -0.849 10.2-131.6-128.7 165.9 -30.0 22.0 50.5 387 421 D D - 0 0 19 4,-1.2 -113,-0.1 -2,-0.3 5,-0.1 0.728 62.8 -89.3 -88.6 -22.2 -30.8 22.9 46.9 388 422 D W S S+ 0 0 40 3,-0.2 297,-0.5 -115,-0.1 -114,-0.1 0.099 124.8 67.6 132.9 -14.8 -32.8 26.2 47.5 389 423 D R S S- 0 0 19 2,-0.1 348,-0.1 295,-0.1 293,-0.1 0.468 120.6-105.9 -98.7 -11.6 -36.4 24.8 47.9 390 424 D G + 0 0 0 1,-0.3 2,-0.1 347,-0.1 344,-0.0 0.359 68.4 151.0 105.1 -3.7 -34.9 23.4 51.0 391 425 D R - 0 0 37 1,-0.1 -4,-1.2 -5,-0.1 2,-0.4 -0.356 46.0-117.7 -65.8 140.0 -34.5 19.7 50.0 392 426 D V E +G 386 0F 2 -6,-0.2 2,-0.4 345,-0.1 -6,-0.2 -0.642 33.7 178.2 -84.0 130.6 -31.7 17.8 51.8 393 427 D Y E -G 385 0F 57 -8,-2.4 -8,-1.7 -2,-0.4 2,-0.1 -0.992 32.3-118.5-132.3 139.1 -28.9 16.3 49.8 394 428 D A E -G 384 0F 5 -2,-0.4 -10,-0.2 -10,-0.2 5,-0.1 -0.502 26.7-137.8 -70.6 145.8 -25.8 14.5 50.9 395 429 D V S S+ 0 0 19 -12,-2.6 -150,-0.2 -2,-0.1 2,-0.2 0.904 75.1 74.0 -76.3 -43.7 -22.7 16.5 49.8 396 430 D S S S- 0 0 2 -13,-0.3 -150,-0.2 2,-0.2 -2,-0.1 -0.460 84.1-121.0 -78.8 146.0 -20.4 13.8 48.6 397 431 D M S S+ 0 0 85 -152,-1.1 2,-0.6 -2,-0.2 -151,-0.1 0.805 106.6 62.3 -48.5 -36.1 -20.8 11.9 45.3 398 432 D F S S+ 0 0 0 -153,-0.5 -2,-0.2 -32,-0.1 -3,-0.1 -0.869 79.2 135.0 -96.3 120.8 -21.0 8.7 47.3 399 433 D N S > S- 0 0 20 -2,-0.6 3,-2.4 -4,-0.1 2,-0.1 -0.994 70.2 -93.0-163.8 162.2 -24.0 8.8 49.7 400 434 D P T 3 S+ 0 0 3 0, 0.0 -2,-0.0 0, 0.0 7,-0.0 0.212 117.3 64.9 -65.3 17.8 -27.0 7.0 51.2 401 435 D Q T 3 S+ 0 0 35 -2,-0.1 5,-0.0 356,-0.0 -3,-0.0 0.401 79.7 105.7-118.5 -4.6 -29.1 8.6 48.4 402 436 D G S < S- 0 0 22 -3,-2.4 5,-0.3 1,-0.1 -4,-0.1 0.048 78.0 -66.9 -67.4-177.6 -27.4 6.8 45.4 403 437 D N > - 0 0 86 3,-0.1 4,-2.8 4,-0.1 5,-0.3 0.304 65.0 -73.2 -58.2-169.1 -28.8 3.9 43.4 404 438 D D H > S+ 0 0 29 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.952 131.7 44.5 -55.1 -60.6 -29.6 0.4 44.4 405 439 D M H > S+ 0 0 3 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.913 114.4 53.0 -53.8 -44.7 -26.0 -0.9 44.7 406 440 D T H >> S+ 0 0 2 2,-0.2 3,-1.0 1,-0.2 4,-0.7 0.983 112.4 41.1 -54.0 -66.8 -25.1 2.3 46.5 407 441 D K H >< S+ 0 0 86 -4,-2.8 3,-0.8 1,-0.3 -1,-0.2 0.838 114.5 55.6 -52.0 -33.3 -27.8 2.1 49.2 408 442 D G H 3< S+ 0 0 1 -4,-2.8 -1,-0.3 -5,-0.3 -2,-0.2 0.866 102.7 54.7 -67.8 -34.9 -27.0 -1.6 49.3 409 443 D L H << S+ 0 0 0 -4,-2.3 -101,-1.9 -3,-1.0 2,-0.4 0.531 105.0 71.3 -73.8 -7.9 -23.4 -0.9 50.0 410 444 D L E << +I 307 0G 3 -3,-0.8 2,-0.3 -4,-0.7 -103,-0.2 -0.932 51.3 163.1-122.2 138.9 -24.5 1.3 53.0 411 445 D T E -I 306 0G 7 -105,-2.2 -105,-2.6 -2,-0.4 87,-0.2 -0.971 46.6 -89.2-144.2 150.8 -25.9 0.4 56.4 412 446 D L E -I 305 0G 0 85,-1.7 -107,-0.3 -2,-0.3 3,-0.1 -0.350 28.1-143.2 -64.5 143.2 -26.2 2.5 59.5 413 447 D A S S+ 0 0 20 -109,-3.3 2,-1.0 1,-0.2 -108,-0.2 0.841 86.9 60.5 -76.5 -37.6 -23.3 2.2 61.9 414 448 D K S S+ 0 0 104 -110,-0.7 -1,-0.2 83,-0.1 352,-0.1 -0.769 70.2 164.2 -97.6 96.8 -25.2 2.3 65.2 415 449 D G - 0 0 14 -2,-1.0 82,-0.2 -3,-0.1 80,-0.1 -0.294 17.7-156.6 -96.7-171.9 -27.6 -0.7 65.2 416 450 D K E -J 496 0H 83 80,-1.6 80,-2.7 78,-0.2 352,-0.2 -0.957 44.2 -61.1-157.2 165.9 -29.4 -2.2 68.2 417 451 D P E -J 495 0H 78 0, 0.0 78,-0.3 0, 0.0 77,-0.2 -0.409 55.0-133.9 -54.9 128.9 -31.0 -5.5 69.1 418 452 D I > - 0 0 3 76,-3.6 4,-0.6 73,-0.2 75,-0.2 0.934 36.3-170.2 -52.9 -56.6 -33.6 -5.9 66.4 419 453 D G H > - 0 0 20 73,-2.4 4,-1.8 3,-0.2 5,-0.1 -0.198 39.5 -63.1 91.1 174.8 -36.6 -6.9 68.5 420 454 D K H > S+ 0 0 153 2,-0.2 4,-2.4 3,-0.2 -1,-0.1 0.972 136.7 35.0 -64.1 -56.8 -40.0 -8.2 67.8 421 455 D E H > S+ 0 0 115 2,-0.2 4,-3.8 1,-0.2 -2,-0.2 0.917 116.6 54.8 -64.1 -46.6 -41.2 -5.1 66.0 422 456 D G H < S+ 0 0 1 -4,-0.6 -1,-0.2 1,-0.2 -3,-0.2 0.876 110.3 47.8 -55.5 -38.6 -37.8 -4.4 64.5 423 457 D Y H X S+ 0 0 40 -4,-1.8 4,-1.4 1,-0.1 -1,-0.2 0.961 111.6 48.9 -66.2 -51.4 -37.9 -7.9 63.1 424 458 D Y H >X S+ 0 0 77 -4,-2.4 4,-1.9 1,-0.2 3,-1.7 0.977 108.0 57.6 -48.6 -63.9 -41.5 -7.4 61.7 425 459 D W H 3< S+ 0 0 23 -4,-3.8 -1,-0.2 1,-0.3 345,-0.1 -0.599 105.4 47.4 -71.7 98.5 -40.3 -4.1 60.2 426 460 D L H 3> S+ 0 0 0 -2,-1.3 4,-3.9 344,-0.0 -1,-0.3 -0.272 103.6 59.3 159.9 -45.6 -37.5 -5.7 58.1 427 461 D K H S+ 0 0 22 -5,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.944 112.3 47.1 -56.9 -51.2 -38.5 -3.9 54.2 430 464 D G H X S+ 0 0 0 -4,-3.9 4,-1.5 1,-0.3 -2,-0.2 0.869 109.4 53.4 -59.4 -40.3 -37.5 -7.1 52.5 431 465 D A H X>S+ 0 0 0 -4,-2.9 5,-1.0 1,-0.2 4,-0.8 0.844 112.4 47.0 -64.2 -32.0 -41.0 -7.5 51.0 432 466 D N H ><5S+ 0 0 28 -4,-1.8 3,-0.7 -3,-0.2 -2,-0.2 0.916 108.0 52.1 -74.4 -46.0 -40.5 -3.9 49.7 433 467 D C H 3<5S+ 0 0 6 -4,-2.9 40,-3.2 1,-0.3 44,-0.3 0.778 112.0 51.5 -59.7 -26.9 -36.9 -4.5 48.3 434 468 D A H 3<5S- 0 0 6 -4,-1.5 38,-0.8 -5,-0.2 -1,-0.3 0.688 121.0-106.1 -83.7 -25.2 -38.5 -7.5 46.5 435 469 D G T <<5S+ 0 0 18 -4,-0.8 2,-2.3 -3,-0.7 3,-0.4 0.012 86.2 120.0 120.0 -26.8 -41.4 -5.6 44.9 436 470 D V < + 0 0 31 -5,-1.0 -2,-0.1 1,-0.2 -1,-0.1 -0.485 39.8 109.1 -70.3 77.7 -44.1 -6.9 47.2 437 471 D D + 0 0 44 -2,-2.3 -1,-0.2 -5,-0.1 -5,-0.1 0.385 54.0 71.1-135.4 -0.9 -45.1 -3.5 48.5 438 472 D K S S+ 0 0 83 -3,-0.4 95,-0.1 2,-0.1 97,-0.1 -0.135 87.8 75.8-110.5 37.8 -48.5 -2.7 46.9 439 473 D V S S- 0 0 19 93,-0.1 5,-0.1 1,-0.1 93,-0.1 -0.937 97.0 -76.6-139.1 155.1 -50.4 -5.2 49.1 440 474 D P >> - 0 0 36 0, 0.0 4,-0.8 0, 0.0 3,-0.8 -0.094 49.0-103.2 -54.1 157.3 -51.4 -5.0 52.8 441 475 D F H >> S+ 0 0 6 1,-0.2 4,-1.9 2,-0.2 3,-1.0 0.861 117.2 59.4 -49.9 -43.2 -48.7 -5.6 55.4 442 476 D P H 3> S+ 0 0 88 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.873 102.9 50.6 -57.7 -39.2 -49.9 -9.1 56.2 443 477 D E H <> S+ 0 0 115 -3,-0.8 4,-1.0 1,-0.2 -2,-0.2 0.680 108.6 54.9 -73.3 -15.3 -49.5 -10.4 52.7 444 478 D R H < S+ 0 0 0 -4,-2.2 3,-1.2 2,-0.2 7,-0.2 0.964 120.0 42.1 -63.0 -53.0 -41.0 -13.1 53.4 449 483 D E H >< S+ 0 0 87 -4,-3.2 3,-2.1 1,-0.3 4,-0.2 0.920 111.9 54.0 -60.2 -47.5 -42.0 -16.1 55.6 450 484 D E T 3< S+ 0 0 143 -4,-3.1 -1,-0.3 -5,-0.3 -2,-0.2 0.500 114.6 43.9 -68.7 0.6 -43.2 -18.2 52.6 451 485 D N T X> S+ 0 0 33 -3,-1.2 4,-2.1 -4,-0.2 3,-0.9 0.193 73.8 128.0-124.9 10.4 -39.8 -17.6 51.1 452 486 D H H <> S+ 0 0 60 -3,-2.1 4,-2.3 1,-0.3 5,-0.2 0.846 75.2 48.4 -32.6 -56.4 -37.8 -18.3 54.2 453 487 D E H 3> S+ 0 0 135 -4,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.862 107.5 51.9 -60.2 -41.1 -35.6 -20.8 52.4 454 488 D N H <> S+ 0 0 71 -3,-0.9 4,-2.6 2,-0.2 5,-0.2 0.940 111.3 50.3 -59.8 -45.3 -34.9 -18.7 49.4 455 489 D I H X S+ 0 0 0 -4,-2.1 4,-2.0 -7,-0.2 -2,-0.2 0.935 110.9 46.4 -57.9 -51.8 -33.7 -15.9 51.7 456 490 D M H X S+ 0 0 27 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.893 111.6 54.3 -59.2 -41.6 -31.4 -18.1 53.7 457 491 D A H >X S+ 0 0 22 -4,-2.4 4,-3.0 2,-0.2 3,-0.6 0.968 109.9 43.5 -56.2 -58.8 -30.0 -19.6 50.5 458 492 D C H 3< S+ 0 0 1 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.830 114.3 53.8 -57.1 -32.5 -29.1 -16.2 49.1 459 493 D A H 3< S+ 0 0 16 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.828 112.8 42.4 -71.7 -32.9 -27.8 -15.3 52.5 460 494 D K H << S+ 0 0 177 -4,-2.1 -2,-0.2 -3,-0.6 -3,-0.2 0.943 138.0 8.0 -80.5 -50.7 -25.6 -18.4 52.6 461 495 D S X + 0 0 25 -4,-3.0 4,-6.0 -5,-0.2 -1,-0.2 -0.501 66.5 165.7-130.9 65.5 -24.2 -18.4 49.1 462 496 D P T 4 S+ 0 0 12 0, 0.0 7,-0.1 0, 0.0 -1,-0.1 0.862 87.8 51.6 -45.6 -37.0 -25.4 -15.0 47.5 463 497 D L T 4 S+ 0 0 85 1,-0.2 3,-0.2 -3,-0.1 -2,-0.1 0.992 120.5 30.2 -63.1 -62.0 -22.8 -15.9 45.0 464 498 D E T 4 S+ 0 0 155 1,-0.2 2,-0.8 -7,-0.1 -1,-0.2 0.879 123.1 51.2 -65.5 -42.1 -24.2 -19.4 44.4 465 499 D N < + 0 0 66 -4,-6.0 3,-0.4 -8,-0.3 -1,-0.2 -0.755 67.5 166.7-107.7 90.1 -27.8 -18.5 45.2 466 500 D T + 0 0 39 -2,-0.8 -8,-0.1 -3,-0.2 2,-0.1 0.325 36.8 105.9 -72.1-147.5 -29.0 -15.5 43.3 467 501 D W S > S+ 0 0 41 -142,-0.1 3,-2.4 -9,-0.1 -1,-0.2 -0.308 75.1 75.4 97.3 -43.7 -32.8 -14.7 43.1 468 502 D W G > S+ 0 0 0 -3,-0.4 3,-1.0 1,-0.3 10,-0.2 0.839 94.0 55.5 -63.0 -27.6 -32.1 -11.8 45.5 469 503 D A G 3 S+ 0 0 5 1,-0.2 -142,-0.3 -7,-0.1 -1,-0.3 0.277 97.0 63.4 -86.4 10.2 -30.7 -10.4 42.2 470 504 D E G < S+ 0 0 125 -3,-2.4 2,-0.3 -144,-0.1 -1,-0.2 0.161 87.2 94.0-115.6 13.5 -34.0 -11.0 40.5 471 505 D Q S < S- 0 0 30 -3,-1.0 -36,-0.2 1,-0.1 -37,-0.1 -0.789 89.8-108.9-107.3 151.3 -35.8 -8.6 42.8 472 506 D D S S+ 0 0 109 -38,-0.8 -38,-0.2 -2,-0.3 -39,-0.1 0.857 119.6 34.5 -42.2 -51.2 -36.5 -4.9 42.1 473 507 D S S > S+ 0 0 37 -40,-3.2 4,-2.3 1,-0.2 -1,-0.3 -0.802 78.1 169.8-109.4 85.5 -34.0 -3.9 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