==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE, LIGASE/DNA 06-JAN-00 1DRG . COMPND 2 MOLECULE: 5'-D(*TP*AP*TP*AP*AP*CP*TP*TP*CP*GP*TP*AP*TP*AP*G . SOURCE 2 SYNTHETIC: YES; . AUTHOR K.C.WOODS,E.P.BALDWIN . 313 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18359.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 203 64.9 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 . 12 3.8 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 10 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 139 44.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.2 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 0 1 2 1 0 0 1 1 1 1 0 2 2 0 0 1 0 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 . 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 21 A D > 0 0 82 0, 0.0 4,-6.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -66.5 145.2 101.7 145.5 2 22 A E H > + 0 0 132 1,-0.2 4,-3.6 2,-0.2 5,-0.5 0.925 360.0 43.7 -44.9 -55.3 144.6 101.3 149.3 3 23 A V H > S+ 0 0 91 2,-0.2 4,-2.1 1,-0.2 5,-0.3 0.951 116.7 46.0 -55.8 -53.1 145.6 105.0 149.7 4 24 A R H > S+ 0 0 43 2,-0.2 4,-1.9 3,-0.2 -2,-0.2 0.976 120.5 43.3 -51.9 -55.9 143.4 105.8 146.7 5 25 A K H X S+ 0 0 74 -4,-6.0 4,-1.1 1,-0.2 -2,-0.2 0.955 116.1 40.0 -51.9 -74.0 140.7 103.6 148.2 6 26 A N H < S+ 0 0 87 -4,-3.6 -1,-0.2 1,-0.2 -3,-0.2 0.757 111.1 59.1 -54.8 -29.6 140.6 104.4 151.8 7 27 A L H < S+ 0 0 103 -4,-2.1 -1,-0.2 -5,-0.5 -2,-0.2 0.986 110.8 43.3 -63.9 -53.6 141.1 108.2 151.2 8 28 A M H < S+ 0 0 13 -4,-1.9 3,-0.2 -5,-0.3 -2,-0.2 0.941 77.7 111.2 -49.9 -91.3 137.9 108.2 149.1 9 29 A D < + 0 0 98 -4,-1.1 2,-0.2 1,-0.2 3,-0.1 0.624 66.8 67.1 8.8 93.8 135.7 106.0 151.3 10 30 A M + 0 0 119 1,-0.1 -1,-0.2 2,-0.0 -2,-0.1 -0.725 29.8 132.4 173.8-114.4 133.4 108.8 152.3 11 31 A F S S- 0 0 9 -3,-0.2 5,-0.4 -2,-0.2 -1,-0.1 0.923 75.1-123.3 36.8 49.4 131.0 110.6 149.9 12 32 A R S S+ 0 0 226 1,-0.1 2,-0.7 -3,-0.1 3,-0.2 0.318 94.8 46.0 14.6 -72.3 128.6 109.9 152.7 13 33 A D > - 0 0 78 1,-0.2 3,-2.3 2,-0.1 4,-0.3 -0.823 58.8-170.0 -97.8 113.7 126.2 108.0 150.6 14 34 A R G > S+ 0 0 140 -2,-0.7 3,-2.9 1,-0.3 -1,-0.2 0.970 96.6 66.0 -53.9 -49.1 127.8 105.5 148.3 15 35 A Q G 3 S+ 0 0 182 1,-0.3 -1,-0.3 -3,-0.2 -3,-0.1 0.491 76.6 84.7 -48.7 -10.0 124.2 105.6 147.0 16 36 A A G < S+ 0 0 37 -3,-2.3 -1,-0.3 -5,-0.4 2,-0.3 0.832 104.2 19.6 -66.2 -31.8 124.9 109.2 146.0 17 37 A F S < S- 0 0 70 -3,-2.9 2,-0.1 -4,-0.3 5,-0.0 -0.827 97.4 -84.9-131.5 169.7 126.3 107.7 142.7 18 38 A S > - 0 0 60 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.373 30.0-122.7 -76.3 154.5 126.0 104.5 140.8 19 39 A E H > S+ 0 0 110 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.858 117.7 55.0 -62.5 -32.5 128.2 101.5 141.6 20 40 A H H > S+ 0 0 135 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.868 109.3 47.5 -66.9 -34.4 129.3 101.6 138.0 21 41 A T H > S+ 0 0 41 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.881 108.3 51.9 -75.0 -38.6 130.3 105.2 138.6 22 42 A W H X S+ 0 0 20 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.849 107.6 56.9 -65.7 -31.7 132.2 104.5 141.8 23 43 A K H X S+ 0 0 99 -4,-1.6 4,-2.3 -5,-0.2 -2,-0.2 0.960 108.9 43.1 -63.4 -52.0 134.1 101.9 139.9 24 44 A M H X S+ 0 0 55 -4,-1.7 4,-2.8 1,-0.2 5,-0.2 0.922 110.1 57.3 -61.6 -41.9 135.2 104.3 137.3 25 45 A L H X S+ 0 0 3 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.897 108.9 47.1 -53.9 -45.2 136.1 106.9 139.9 26 46 A L H X S+ 0 0 51 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.949 111.0 49.5 -63.5 -51.7 138.4 104.4 141.6 27 47 A S H X S+ 0 0 49 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.961 114.3 45.0 -51.6 -56.1 140.1 103.4 138.3 28 48 A V H X S+ 0 0 0 -4,-2.8 4,-3.5 1,-0.2 3,-0.4 0.972 114.0 49.6 -52.0 -56.9 140.8 106.9 137.3 29 49 A C H X S+ 0 0 1 -4,-2.5 4,-2.0 1,-0.3 -1,-0.2 0.790 111.1 49.0 -52.7 -36.5 142.0 107.9 140.8 30 50 A R H X S+ 0 0 80 -4,-2.9 4,-2.4 2,-0.2 -1,-0.3 0.920 115.4 45.6 -68.4 -42.7 144.3 104.9 140.9 31 51 A S H X S+ 0 0 31 -4,-2.7 4,-2.3 -3,-0.4 -2,-0.2 0.952 114.5 45.3 -62.5 -59.5 145.6 105.9 137.4 32 52 A W H X S+ 0 0 0 -4,-3.5 4,-2.9 1,-0.2 5,-0.2 0.917 114.0 52.9 -51.2 -46.6 146.0 109.6 138.2 33 53 A A H X S+ 0 0 5 -4,-2.0 4,-2.1 -5,-0.3 -2,-0.2 0.878 107.1 48.5 -60.9 -45.7 147.6 108.5 141.5 34 54 A A H X S+ 0 0 50 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.936 114.1 48.6 -61.9 -43.5 150.2 106.2 140.0 35 55 A W H X S+ 0 0 22 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.946 110.9 47.9 -61.0 -52.7 151.1 109.0 137.5 36 56 A C H <>S+ 0 0 2 -4,-2.9 5,-4.2 2,-0.2 -1,-0.2 0.859 113.5 51.8 -52.9 -41.0 151.4 111.7 140.1 37 57 A K H ><5S+ 0 0 164 -4,-2.1 3,-3.2 3,-0.2 -2,-0.2 0.996 112.0 42.1 -58.8 -73.2 153.5 109.2 142.1 38 58 A L H 3<5S+ 0 0 143 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.765 121.9 41.9 -41.3 -44.8 156.0 108.4 139.2 39 59 A N T 3<5S- 0 0 56 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.133 112.0-119.2 -96.1 17.2 156.2 112.0 138.2 40 60 A N T < 5 + 0 0 150 -3,-3.2 2,-0.3 1,-0.2 -3,-0.2 0.911 61.7 145.2 46.1 61.2 156.4 113.3 141.7 41 61 A R < - 0 0 99 -5,-4.2 2,-0.7 -8,-0.2 -1,-0.2 -0.835 56.7 -95.0-124.6 163.3 153.2 115.4 141.5 42 62 A K > - 0 0 119 -2,-0.3 5,-0.5 1,-0.2 8,-0.1 -0.688 28.2-162.7 -79.7 116.9 150.5 116.3 144.1 43 63 A W T 5 + 0 0 37 -2,-0.7 -1,-0.2 1,-0.2 -9,-0.0 0.938 64.2 57.1 -63.9 -49.1 147.6 113.9 143.8 44 64 A F T 5S+ 0 0 47 1,-0.2 -1,-0.2 2,-0.1 2,-0.2 -0.993 107.8 19.9-146.0 138.7 145.0 116.1 145.7 45 65 A P T 5S- 0 0 77 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.678 100.0-134.1 -69.5 161.6 144.0 118.7 145.4 46 66 A A T 5 - 0 0 14 -2,-0.2 -3,-0.1 29,-0.1 -2,-0.1 -0.712 4.3-133.1 -92.2 133.2 145.2 118.5 141.8 47 67 A E >>< - 0 0 115 -5,-0.5 4,-2.0 -2,-0.4 3,-1.2 -0.671 17.7-131.1 -83.1 129.5 147.1 121.3 140.0 48 68 A P H 3> S+ 0 0 43 0, 0.0 4,-3.6 0, 0.0 5,-0.2 0.823 105.6 53.2 -46.2 -50.1 145.8 122.2 136.5 49 69 A E H 3> S+ 0 0 120 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.798 112.6 49.0 -61.7 -24.7 149.1 122.1 134.6 50 70 A D H <> S+ 0 0 22 -3,-1.2 4,-2.3 2,-0.2 -1,-0.2 0.883 110.7 47.3 -79.5 -40.9 149.5 118.6 136.2 51 71 A V H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 3,-0.3 0.982 112.1 52.6 -62.2 -51.4 146.0 117.5 135.1 52 72 A R H X S+ 0 0 61 -4,-3.6 4,-2.2 1,-0.3 -2,-0.2 0.883 110.9 45.3 -48.8 -47.9 146.8 118.9 131.7 53 73 A D H X S+ 0 0 50 -4,-1.6 4,-2.0 -5,-0.2 -1,-0.3 0.855 110.1 56.6 -70.7 -27.5 150.0 116.9 131.4 54 74 A Y H X S+ 0 0 0 -4,-2.3 4,-1.7 -3,-0.3 -2,-0.2 0.880 108.0 46.1 -69.3 -37.5 148.2 113.8 132.7 55 75 A L H X S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 3,-0.2 0.954 111.4 51.8 -66.8 -49.8 145.6 114.0 129.9 56 76 A L H X S+ 0 0 58 -4,-2.2 4,-3.8 1,-0.3 -2,-0.2 0.894 106.9 55.7 -52.5 -40.4 148.4 114.5 127.3 57 77 A Y H X S+ 0 0 103 -4,-2.0 4,-0.6 2,-0.2 -1,-0.3 0.929 108.4 46.3 -58.7 -44.8 149.9 111.5 128.9 58 78 A L H ><>S+ 0 0 0 -4,-1.7 5,-1.7 -3,-0.2 3,-1.0 0.937 114.6 47.4 -64.4 -45.0 146.7 109.5 128.2 59 79 A Q H ><5S+ 0 0 37 -4,-3.1 3,-2.3 1,-0.2 -2,-0.2 0.948 106.7 57.1 -59.1 -49.4 146.5 110.9 124.7 60 80 A A H 3<5S+ 0 0 93 -4,-3.8 -1,-0.2 1,-0.3 -2,-0.2 0.611 104.7 55.8 -63.9 -6.6 150.2 110.0 124.1 61 81 A R T <<5S- 0 0 129 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.472 122.0 -98.5-102.8 1.6 149.4 106.4 125.0 62 82 A G T < 5 + 0 0 68 -3,-2.3 2,-0.2 -4,-0.3 -3,-0.2 0.633 67.4 153.3 96.1 14.1 146.7 105.8 122.4 63 83 A L < - 0 0 47 -5,-1.7 -1,-0.2 -4,-0.1 -2,-0.1 -0.529 46.1-106.8 -82.0 145.8 143.6 106.3 124.6 64 84 A A > - 0 0 55 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.151 23.4-115.9 -63.6 160.3 140.2 107.5 123.0 65 85 A V H > S+ 0 0 42 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.938 120.0 55.7 -62.6 -40.7 138.9 111.0 123.5 66 86 A K H > S+ 0 0 160 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.871 107.2 48.1 -58.4 -36.2 136.0 109.4 125.3 67 87 A T H > S+ 0 0 54 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.896 112.3 48.7 -71.0 -40.8 138.4 107.7 127.7 68 88 A I H X S+ 0 0 1 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.954 108.7 53.9 -63.3 -47.4 140.3 110.9 128.3 69 89 A Q H X S+ 0 0 68 -4,-3.3 4,-3.3 1,-0.2 -1,-0.2 0.888 108.0 53.1 -52.5 -41.4 137.0 112.7 128.9 70 90 A Q H X S+ 0 0 78 -4,-1.7 4,-2.6 -5,-0.2 5,-0.3 0.980 109.0 44.3 -60.0 -59.5 136.3 110.0 131.5 71 91 A H H X S+ 0 0 16 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.894 116.4 49.7 -51.7 -43.6 139.5 110.5 133.5 72 92 A L H X S+ 0 0 5 -4,-3.0 4,-2.6 -5,-0.2 3,-0.3 0.986 110.7 48.9 -60.4 -55.8 139.0 114.2 133.3 73 93 A G H X S+ 0 0 31 -4,-3.3 4,-2.2 1,-0.3 -2,-0.2 0.847 110.6 48.1 -51.3 -47.8 135.3 114.0 134.5 74 94 A Q H X S+ 0 0 7 -4,-2.6 4,-2.3 2,-0.2 -1,-0.3 0.889 113.0 50.8 -61.5 -38.5 136.0 111.8 137.5 75 95 A L H X S+ 0 0 0 -4,-1.7 4,-1.6 -3,-0.3 -2,-0.2 0.904 108.5 51.0 -65.7 -41.6 138.9 114.2 138.4 76 96 A N H X S+ 0 0 11 -4,-2.6 4,-3.0 2,-0.2 -1,-0.2 0.892 109.3 53.5 -60.6 -41.5 136.5 117.1 138.1 77 97 A M H X S+ 0 0 15 -4,-2.2 4,-3.4 2,-0.2 -2,-0.2 0.986 102.6 53.1 -57.8 -66.0 134.1 115.2 140.4 78 98 A L H X S+ 0 0 8 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.902 115.4 43.0 -33.7 -65.8 136.5 114.6 143.3 79 99 A H H <>S+ 0 0 5 -4,-1.6 5,-2.1 2,-0.2 -1,-0.2 0.951 115.3 47.5 -49.0 -60.8 137.3 118.3 143.3 80 100 A R H ><5S+ 0 0 132 -4,-3.0 3,-1.6 3,-0.2 -2,-0.2 0.953 115.7 46.0 -45.6 -61.8 133.7 119.4 142.9 81 101 A R H 3<5S+ 0 0 101 -4,-3.4 2,-4.1 1,-0.3 -2,-0.2 0.943 110.3 51.4 -44.5 -73.3 132.5 117.0 145.6 82 102 A S T 3<5S- 0 0 54 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.103 123.5-107.5 -58.5 35.4 135.3 118.0 148.0 83 103 A G T < 5S+ 0 0 66 -2,-4.1 -3,-0.2 -3,-1.6 -1,-0.2 0.798 76.8 126.9 38.5 52.9 134.2 121.6 147.4 84 104 A L < - 0 0 61 -5,-2.1 -1,-0.1 -6,-0.2 -2,-0.0 -0.867 68.4 -79.7-130.1 161.7 137.2 122.7 145.2 85 105 A P - 0 0 107 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.264 53.4-108.6 -59.0 151.0 137.6 124.4 141.8 86 106 A R > - 0 0 87 1,-0.2 3,-3.0 -7,-0.1 -10,-0.1 -0.735 10.4-136.2 -85.3 124.3 137.2 121.9 138.9 87 107 A P T 3 S+ 0 0 3 0, 0.0 6,-0.4 0, 0.0 7,-0.3 0.919 109.6 65.2 -43.0 -43.1 140.4 121.1 137.0 88 108 A S T 3 S+ 0 0 24 1,-0.2 2,-1.8 -16,-0.2 6,-0.3 0.842 89.4 66.2 -48.6 -37.7 138.0 121.6 134.1 89 109 A D S < S+ 0 0 107 -3,-3.0 2,-0.3 4,-0.1 -1,-0.2 -0.653 82.1 100.7 -88.1 78.8 137.7 125.2 135.1 90 110 A S S > S- 0 0 25 -2,-1.8 4,-3.4 1,-0.1 5,-0.3 -0.843 75.0-133.8-162.3 121.7 141.4 125.9 134.3 91 111 A N H > S+ 0 0 148 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.900 109.4 53.6 -45.9 -44.5 142.5 127.6 131.1 92 112 A A H > S+ 0 0 20 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.931 113.5 40.0 -58.0 -50.6 145.2 124.9 130.9 93 113 A V H > S+ 0 0 0 -6,-0.4 4,-2.1 2,-0.2 5,-0.3 0.966 113.7 53.0 -66.6 -50.1 142.7 122.1 131.1 94 114 A S H X S+ 0 0 62 -4,-3.4 4,-1.3 -6,-0.3 -2,-0.2 0.952 111.2 49.4 -45.7 -59.7 140.1 123.8 128.9 95 115 A L H X S+ 0 0 91 -4,-2.8 4,-2.8 -5,-0.3 -1,-0.2 0.831 108.7 50.1 -48.7 -47.5 142.7 124.3 126.3 96 116 A V H X S+ 0 0 8 -4,-2.0 4,-4.3 1,-0.2 5,-0.3 0.951 105.7 54.2 -62.7 -48.3 144.1 120.7 126.2 97 117 A M H X S+ 0 0 8 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.829 113.6 46.2 -55.7 -26.7 140.7 119.0 125.9 98 118 A R H X S+ 0 0 175 -4,-1.3 4,-2.0 -5,-0.3 5,-0.3 0.909 113.8 45.5 -79.6 -47.1 140.3 121.3 122.9 99 119 A R H X S+ 0 0 151 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.967 113.1 52.1 -61.0 -49.2 143.7 120.6 121.5 100 120 A I H < S+ 0 0 0 -4,-4.3 4,-0.4 2,-0.2 -1,-0.2 0.876 111.4 45.7 -55.3 -44.8 143.2 116.8 122.1 101 121 A R H >X S+ 0 0 110 -4,-1.5 3,-4.6 -5,-0.3 4,-2.6 0.996 111.5 48.8 -62.2 -65.5 139.9 116.6 120.3 102 122 A K H 3X S+ 0 0 126 -4,-2.0 4,-3.4 1,-0.3 5,-0.4 0.905 102.7 65.9 -37.7 -56.1 140.8 118.7 117.2 103 123 A E H 3X S+ 0 0 87 -4,-2.6 4,-1.1 -5,-0.3 -1,-0.3 0.673 116.6 25.5 -38.8 -27.1 143.8 116.5 117.0 104 124 A N H <>>S+ 0 0 31 -3,-4.6 4,-2.0 -4,-0.4 5,-1.0 0.721 111.3 61.3-115.4 -33.1 141.5 113.5 116.3 105 125 A V H <5S+ 0 0 91 -4,-2.6 -3,-0.2 2,-0.2 -2,-0.2 0.918 122.0 36.6 -58.3 -32.8 138.4 115.0 114.7 106 126 A D H <5S+ 0 0 111 -4,-3.4 -2,-0.2 -5,-0.5 -3,-0.2 0.977 111.7 57.9 -73.3 -68.7 141.2 115.9 112.4 107 127 A A H <5S- 0 0 67 -4,-1.1 -2,-0.2 -5,-0.4 -1,-0.2 0.582 111.1-121.2 -36.7 -18.4 143.1 112.6 112.9 108 128 A G T <5 + 0 0 36 -4,-2.0 2,-0.3 1,-0.3 -1,-0.2 0.512 64.0 144.6 83.9 2.2 139.9 110.8 111.7 109 129 A E < + 0 0 128 -5,-1.0 2,-0.3 -6,-0.1 -1,-0.3 -0.617 22.5 171.1 -75.9 131.5 139.6 108.9 115.0 110 130 A R - 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0 0 5 -21,-0.4 2,-0.2 -2,-0.2 -17,-0.1 -0.318 53.2-178.9 -65.2 146.7 129.0 90.4 118.0 258 287 A S > - 0 0 28 -143,-0.5 3,-2.1 -22,-0.2 4,-0.4 -0.757 47.2 -66.4-133.1-175.4 128.8 91.9 121.5 259 288 A G T 3 S+ 0 0 9 1,-0.3 4,-0.3 -2,-0.2 3,-0.2 0.661 129.8 43.5 -48.5 -27.9 126.0 93.0 123.9 260 289 A H T 3> S+ 0 0 76 1,-0.2 4,-3.2 2,-0.1 -1,-0.3 0.392 82.8 99.5-101.4 -0.5 124.8 96.0 121.7 261 290 A S H <> S+ 0 0 0 -3,-2.1 -144,-3.1 1,-0.2 4,-2.4 0.853 86.1 43.7 -55.0 -40.0 124.9 94.2 118.4 262 291 A A H > S+ 0 0 1 -4,-0.4 4,-2.8 -3,-0.2 5,-0.3 0.882 113.1 50.0 -76.8 -39.3 121.2 93.6 118.3 263 292 A R H > S+ 0 0 34 -4,-0.3 4,-2.2 2,-0.2 5,-0.2 0.980 115.6 44.9 -63.1 -48.7 120.2 97.1 119.5 264 293 A V H X S+ 0 0 1 -4,-3.2 4,-2.0 1,-0.2 -2,-0.2 0.956 116.7 44.3 -54.1 -58.5 122.5 98.5 116.8 265 294 A G H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 -146,-0.2 0.878 111.9 51.0 -55.8 -48.8 121.3 96.2 114.0 266 295 A A H X S+ 0 0 4 -4,-2.8 4,-2.8 -149,-0.3 5,-0.2 0.938 109.5 52.2 -55.6 -48.9 117.6 96.5 114.8 267 296 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.3 -1,-0.2 0.903 111.9 45.9 -54.0 -45.5 117.9 100.3 114.8 268 297 A R H X S+ 0 0 24 -4,-2.0 4,-3.2 -5,-0.2 -1,-0.2 0.897 110.7 53.4 -67.3 -38.5 119.5 100.1 111.4 269 298 A D H X S+ 0 0 24 -4,-2.7 4,-1.2 1,-0.2 -2,-0.2 0.900 111.3 44.9 -63.0 -41.8 116.9 97.7 110.2 270 299 A M H <>S+ 0 0 37 -4,-2.8 5,-1.8 2,-0.2 -1,-0.2 0.888 115.2 48.8 -70.6 -39.4 114.1 100.0 111.2 271 300 A A H ><5S+ 0 0 24 -4,-2.4 3,-2.3 -5,-0.2 -2,-0.2 0.976 110.1 48.8 -64.8 -53.4 115.8 103.0 109.7 272 301 A R H 3<5S+ 0 0 51 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.813 106.4 61.5 -56.6 -26.5 116.6 101.3 106.3 273 302 A A T 3<5S- 0 0 75 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.311 118.2-107.5 -84.4 7.5 112.9 100.2 106.2 274 303 A G T < 5 + 0 0 66 -3,-2.3 -3,-0.2 1,-0.2 -2,-0.1 0.497 61.9 160.9 81.6 2.3 111.5 103.8 106.2 275 304 A V < - 0 0 47 -5,-1.8 -1,-0.2 -6,-0.2 -2,-0.0 -0.313 41.2-110.9 -60.5 139.3 110.2 103.6 109.8 276 305 A S > - 0 0 54 1,-0.1 4,-2.8 4,-0.0 5,-0.2 -0.207 20.0-112.3 -71.1 156.8 109.6 107.0 111.4 277 306 A I H > S+ 0 0 76 2,-0.2 4,-3.4 1,-0.2 5,-0.2 0.890 114.4 52.4 -59.6 -37.9 111.7 108.5 114.2 278 307 A P H > S+ 0 0 88 0, 0.0 4,-3.3 0, 0.0 -1,-0.2 0.967 113.3 45.4 -62.4 -48.3 109.0 108.4 116.8 279 308 A E H > S+ 0 0 117 2,-0.2 4,-3.4 1,-0.2 -2,-0.2 0.955 113.9 48.1 -59.1 -47.8 108.4 104.7 116.1 280 309 A I H X S+ 0 0 10 -4,-2.8 4,-1.8 1,-0.2 6,-0.2 0.959 112.4 50.8 -56.3 -49.0 112.2 104.0 116.1 281 310 A M H X>S+ 0 0 26 -4,-3.4 5,-2.6 -5,-0.2 4,-0.7 0.928 111.6 46.7 -54.5 -46.7 112.4 106.0 119.4 282 311 A Q H ><5S+ 0 0 152 -4,-3.3 3,-1.3 3,-0.2 -2,-0.2 0.955 106.4 58.4 -62.1 -48.0 109.6 104.0 120.9 283 312 A A H 3<5S+ 0 0 30 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.850 121.3 26.3 -50.4 -38.2 111.1 100.6 119.7 284 313 A G H 3<5S- 0 0 4 -4,-1.8 -1,-0.3 -3,-0.2 -2,-0.2 0.253 110.1-113.7-110.0 7.9 114.4 101.3 121.7 285 314 A G T <<5 + 0 0 53 -3,-1.3 -3,-0.2 -4,-0.7 2,-0.2 0.858 58.1 158.9 65.9 35.6 113.0 103.6 124.3 286 315 A W < - 0 0 29 -5,-2.6 -1,-0.2 -6,-0.2 3,-0.1 -0.594 25.0-179.5 -89.0 154.0 114.8 106.7 123.2 287 316 A T + 0 0 134 -2,-0.2 2,-0.5 1,-0.1 -1,-0.1 0.507 65.7 71.4-123.1 -16.7 113.5 110.2 124.3 288 317 A N > - 0 0 54 1,-0.1 4,-1.6 -7,-0.1 -1,-0.1 -0.911 61.8-157.8-108.5 128.5 116.2 112.3 122.5 289 318 A V H > S+ 0 0 65 -2,-0.5 4,-2.5 2,-0.2 5,-0.2 0.825 96.9 52.6 -69.3 -36.1 116.2 112.7 118.7 290 319 A N H > S+ 0 0 128 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.945 108.5 50.3 -65.5 -47.9 119.9 113.6 118.7 291 320 A I H > S+ 0 0 95 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.849 114.1 44.2 -58.8 -39.7 120.8 110.6 120.7 292 321 A V H X S+ 0 0 2 -4,-1.6 4,-1.3 2,-0.2 -1,-0.2 0.907 112.2 50.9 -74.9 -41.8 118.9 108.2 118.4 293 322 A M H >< S+ 0 0 102 -4,-2.5 3,-0.5 1,-0.2 -2,-0.2 0.935 112.3 48.1 -63.8 -38.5 120.2 109.8 115.2 294 323 A N H >< S+ 0 0 97 -4,-2.7 3,-2.5 1,-0.2 -1,-0.2 0.958 106.3 56.9 -64.1 -47.7 123.7 109.5 116.5 295 324 A F H 3< S+ 0 0 22 -4,-2.1 3,-0.3 1,-0.3 -1,-0.2 0.765 109.7 46.1 -54.9 -25.1 123.2 105.9 117.5 296 325 A I T X< S+ 0 0 13 -4,-1.3 3,-1.1 -3,-0.5 -1,-0.3 -0.050 74.0 126.9-107.5 30.6 122.2 105.2 113.9 297 326 A R T < + 0 0 87 -3,-2.5 -1,-0.2 1,-0.3 -2,-0.1 0.608 69.9 54.8 -62.8 -12.0 125.2 107.1 112.6 298 327 A N T 3 + 0 0 75 -3,-0.3 -1,-0.3 -4,-0.1 -4,-0.0 -0.092 67.9 174.3-119.3 41.0 126.2 104.0 110.6 299 328 A L < - 0 0 75 -3,-1.1 -3,-0.0 1,-0.1 -30,-0.0 -0.222 16.7-161.3 -45.3 122.1 123.1 103.2 108.5 300 329 A D + 0 0 65 1,-0.1 -1,-0.1 2,-0.0 -31,-0.0 -0.149 63.0 52.3-112.1 42.7 124.5 100.4 106.3 301 330 A S S S- 0 0 64 -33,-0.1 -1,-0.1 0, 0.0 -2,-0.0 0.639 85.5-122.1-139.0 -32.2 122.3 99.8 103.3 302 331 A E - 0 0 149 1,-0.1 -2,-0.0 2,-0.0 -30,-0.0 0.780 16.5-149.5 79.7 104.7 121.6 102.9 101.2 303 332 A T - 0 0 53 4,-0.0 5,-0.2 1,-0.0 -1,-0.1 0.511 10.1-145.4 -87.4 -6.9 117.8 103.6 100.9 304 333 A G > + 0 0 19 1,-0.1 4,-2.7 3,-0.1 5,-0.2 0.857 34.8 161.1 42.4 51.2 117.5 105.3 97.5 305 334 A A H > S+ 0 0 46 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.887 77.7 48.5 -64.3 -37.4 114.6 107.6 98.6 306 335 A M H > S+ 0 0 121 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.907 110.6 49.2 -70.8 -38.6 115.4 109.8 95.6 307 336 A V H > S+ 0 0 77 2,-0.2 4,-3.4 1,-0.2 6,-0.3 0.966 112.8 48.3 -63.6 -47.9 115.5 106.9 93.2 308 337 A R H < S+ 0 0 76 -4,-2.7 5,-0.2 1,-0.2 4,-0.2 0.933 114.1 46.7 -54.5 -50.3 112.2 105.7 94.5 309 338 A L H >< S+ 0 0 103 -4,-2.6 3,-0.9 1,-0.2 -1,-0.2 0.921 115.9 44.2 -59.0 -50.4 110.8 109.3 94.2 310 339 A L H 3< S+ 0 0 131 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.893 114.7 47.6 -64.3 -40.5 112.1 109.7 90.7 311 340 A E T 3< S- 0 0 144 -4,-3.4 -1,-0.3 2,-0.3 -2,-0.2 0.500 100.2-139.4 -80.4 5.1 111.0 106.3 89.6 312 341 A D S < S+ 0 0 143 -3,-0.9 2,-0.7 1,-0.3 -3,-0.2 0.392 74.6 118.6 50.8 -6.1 107.7 107.2 91.2 313 342 A G 0 0 38 -6,-0.3 -2,-0.3 -5,-0.2 -1,-0.3 -0.772 360.0 360.0 -85.1 114.3 108.3 103.6 92.2 314 343 A D 0 0 154 -2,-0.7 -1,-0.1 -3,-0.1 -5,-0.0 0.122 360.0 360.0-107.5 360.0 108.4 103.9 95.9