==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION/DNA 09-FEB-04 1SAX . COMPND 2 MOLECULE: 5'-D(GCTCCGATATTACAGTTGTAATTTT)-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR R.GARCIA-CASTELLANOS,G.MALLORQUI-FERNANDEZ,A.MARRERO,J.POTEM . 240 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14936.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 72.9 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 . 19 7.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 123 51.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 0 0 0 0 0 0 3 3 2 1 1 0 2 0 0 0 0 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 . 1 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 3 A N 0 0 211 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 6.6 36.8 98.0 32.7 2 4 A K + 0 0 150 1,-0.0 2,-0.4 0, 0.0 0, 0.0 -0.276 360.0 170.4 -75.0 122.8 37.3 98.1 29.0 3 5 A T - 0 0 113 -2,-0.2 2,-0.2 0, 0.0 50,-0.0 -0.962 22.4-149.3-115.6 139.1 38.7 95.2 26.8 4 6 A Y - 0 0 120 -2,-0.4 2,-0.3 49,-0.2 49,-0.0 -0.637 2.4-136.0-107.8 166.5 38.4 95.6 23.1 5 7 A E - 0 0 146 -2,-0.2 2,-0.7 0, 0.0 48,-0.1 -0.762 16.5-121.2-114.5 161.6 38.0 93.1 20.3 6 8 A I - 0 0 13 -2,-0.3 5,-0.1 49,-0.0 44,-0.0 -0.945 38.5-141.3 -96.7 119.6 39.6 92.6 16.9 7 9 A S > - 0 0 37 -2,-0.7 4,-1.2 1,-0.1 0, 0.0 -0.155 23.7 -98.0 -73.1 172.9 36.7 92.8 14.4 8 10 A S T >4 S+ 0 0 66 1,-0.2 3,-0.9 2,-0.2 4,-0.4 0.954 123.8 43.8 -59.4 -54.9 36.4 90.6 11.3 9 11 A A T >> S+ 0 0 39 1,-0.2 3,-1.5 2,-0.2 4,-0.7 0.860 109.3 61.6 -57.4 -33.3 37.7 93.1 8.8 10 12 A E H 3> S+ 0 0 3 1,-0.3 4,-2.6 2,-0.2 3,-0.3 0.779 86.1 70.2 -67.9 -29.2 40.5 94.0 11.3 11 13 A W H S+ 0 0 34 -3,-1.5 4,-1.9 -4,-0.4 -1,-0.2 0.933 107.8 40.0 -68.5 -47.8 43.1 91.4 7.8 13 15 A V H X S+ 0 0 0 -4,-0.7 4,-2.5 -3,-0.3 5,-0.2 0.959 113.6 55.5 -64.9 -51.3 45.2 94.3 8.8 14 16 A M H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.904 107.8 48.1 -48.5 -50.7 46.5 92.5 11.9 15 17 A N H X S+ 0 0 13 -4,-1.8 4,-2.2 1,-0.2 3,-0.3 0.940 110.9 50.9 -57.7 -46.9 47.8 89.5 9.8 16 18 A I H X S+ 0 0 5 -4,-1.9 4,-2.9 1,-0.2 5,-0.3 0.918 110.5 50.1 -56.6 -43.0 49.5 91.9 7.3 17 19 A I H X S+ 0 0 1 -4,-2.5 4,-1.5 1,-0.2 52,-0.3 0.799 109.7 50.6 -68.2 -29.3 51.2 93.7 10.2 18 20 A W H < S+ 0 0 28 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.852 112.9 45.8 -76.2 -36.5 52.4 90.4 11.7 19 21 A M H < S+ 0 0 106 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.963 122.2 35.3 -66.3 -53.4 53.9 89.3 8.4 20 22 A K H < S- 0 0 75 -4,-2.9 2,-1.2 -5,-0.2 -2,-0.2 0.707 86.3-158.8 -80.1 -20.2 55.6 92.6 7.6 21 23 A K S < S+ 0 0 162 -4,-1.5 2,-0.3 -5,-0.3 48,-0.2 -0.010 79.8 36.7 71.3 -32.2 56.4 93.3 11.3 22 24 A Y S S+ 0 0 125 -2,-1.2 2,-0.3 46,-0.1 46,-0.2 -0.951 76.9 155.6-155.7 121.3 56.7 97.0 10.4 23 25 A A B -A 67 0A 0 44,-1.6 44,-3.4 -2,-0.3 2,-0.2 -0.994 34.8-131.1-152.7 149.1 54.5 98.7 7.8 24 26 A S > - 0 0 13 -2,-0.3 4,-2.3 42,-0.3 42,-0.2 -0.525 42.7-103.5 -88.9 169.7 53.2 102.1 6.8 25 27 A A H > S+ 0 0 6 40,-0.5 4,-2.9 1,-0.2 5,-0.2 0.942 126.5 52.1 -57.8 -46.9 49.5 102.5 6.2 26 28 A N H > S+ 0 0 97 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.892 105.1 52.6 -56.7 -47.2 50.4 102.5 2.5 27 29 A N H > S+ 0 0 63 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.958 113.4 46.2 -44.2 -55.3 52.4 99.2 2.8 28 30 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.909 111.8 49.9 -61.6 -47.8 49.3 97.7 4.4 29 31 A I H X S+ 0 0 10 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.893 109.7 51.4 -55.9 -44.2 47.0 99.2 1.8 30 32 A E H X S+ 0 0 137 -4,-2.9 4,-0.6 1,-0.2 -2,-0.2 0.939 112.8 46.7 -62.0 -45.2 49.2 97.8 -1.1 31 33 A E H >X S+ 0 0 51 -4,-2.3 4,-1.1 -5,-0.2 3,-0.9 0.904 112.1 47.3 -60.9 -48.7 49.1 94.3 0.5 32 34 A I H 3< S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.917 106.7 58.7 -64.1 -41.5 45.4 94.1 1.2 33 35 A Q H 3< S+ 0 0 80 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.632 97.2 62.2 -67.6 -15.2 44.5 95.3 -2.3 34 36 A M H << S+ 0 0 112 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.2 0.981 122.1 17.9 -66.0 -63.9 46.5 92.4 -3.8 35 37 A Q S < S+ 0 0 143 -4,-1.1 -3,-0.1 1,-0.0 -2,-0.1 0.884 131.4 27.8 -65.7-101.7 44.1 89.8 -2.2 36 38 A K S S- 0 0 98 -4,-0.1 2,-0.7 1,-0.1 -1,-0.0 -0.129 76.8-127.1 -63.3 157.1 40.8 91.5 -1.1 37 39 A D + 0 0 145 -3,-0.0 2,-0.3 2,-0.0 -4,-0.1 -0.775 48.1 145.4-113.1 88.6 39.4 94.7 -2.8 38 40 A W - 0 0 67 -2,-0.7 -5,-0.0 -9,-0.1 -6,-0.0 -0.887 51.3-103.4-121.1 149.7 38.8 97.3 -0.2 39 41 A S > - 0 0 57 -2,-0.3 4,-2.2 1,-0.1 5,-0.1 -0.341 24.7-127.4 -65.3 152.7 39.1 101.1 -0.4 40 42 A P H > S+ 0 0 45 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.757 111.8 63.4 -73.0 -23.6 42.2 102.7 1.3 41 43 A K H > S+ 0 0 155 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.883 107.1 44.5 -65.2 -39.9 39.8 105.0 3.2 42 44 A T H > S+ 0 0 64 2,-0.2 4,-2.3 3,-0.1 5,-0.2 0.962 112.6 49.1 -61.9 -56.6 38.5 101.8 4.7 43 45 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.921 110.7 50.6 -57.2 -45.2 41.9 100.2 5.4 44 46 A R H X S+ 0 0 103 -4,-3.0 4,-2.9 1,-0.2 -1,-0.2 0.917 108.9 53.1 -56.4 -42.9 43.2 103.5 7.0 45 47 A T H X S+ 0 0 63 -4,-1.5 4,-3.0 1,-0.2 -2,-0.2 0.920 109.8 47.2 -58.1 -47.8 40.0 103.5 9.2 46 48 A L H X S+ 0 0 9 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.857 110.7 51.8 -64.4 -36.3 40.6 99.9 10.4 47 49 A I H X S+ 0 0 1 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.936 111.6 48.1 -64.9 -44.0 44.3 100.7 11.1 48 50 A T H X S+ 0 0 63 -4,-2.9 4,-3.1 2,-0.2 3,-0.3 0.977 111.4 48.5 -57.6 -57.3 43.2 103.7 13.2 49 51 A R H X S+ 0 0 140 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.890 112.5 48.9 -51.2 -43.6 40.6 101.6 15.1 50 52 A L H <>S+ 0 0 0 -4,-2.4 5,-2.7 1,-0.2 6,-1.1 0.843 112.9 49.4 -65.8 -32.0 43.2 98.9 15.8 51 53 A Y H ><5S+ 0 0 71 -4,-2.1 3,-1.0 -3,-0.3 -2,-0.2 0.934 112.2 46.0 -69.4 -47.3 45.6 101.7 16.9 52 54 A K H 3<5S+ 0 0 166 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.849 108.8 55.1 -67.9 -35.8 43.0 103.3 19.2 53 55 A K T 3<5S- 0 0 53 -4,-2.5 -1,-0.3 -5,-0.3 -49,-0.2 0.606 118.2-115.8 -68.1 -12.4 41.9 99.9 20.7 54 56 A G T < 5S+ 0 0 41 -3,-1.0 -3,-0.2 -4,-0.3 -2,-0.1 0.800 82.2 118.5 80.6 32.2 45.7 99.4 21.6 55 57 A F S S-B 64 0A 89 3,-3.6 3,-3.0 -2,-0.3 -2,-0.0 -0.993 79.7 -22.1-118.9 129.2 60.1 107.2 10.0 62 64 A N T 3 S- 0 0 111 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.887 128.1 -50.2 21.4 69.8 60.9 110.3 8.0 63 65 A K T 3 S+ 0 0 175 1,-0.1 2,-0.4 -3,-0.1 -1,-0.3 0.380 121.1 109.0 64.8 -2.3 57.6 112.0 9.0 64 66 A I E < S- B 0 61A 96 -3,-3.0 -3,-3.6 -5,-0.0 2,-0.2 -0.887 72.0-115.5-106.4 134.1 55.7 108.8 7.9 65 67 A F E - B 0 60A 64 -2,-0.4 2,-0.6 -5,-0.2 -40,-0.5 -0.464 20.3-160.8 -74.0 131.4 54.0 106.4 10.5 66 68 A Q E - B 0 59A 20 -7,-2.2 -7,-1.4 -2,-0.2 2,-0.3 -0.936 12.8-154.1-109.3 112.8 55.2 102.8 10.9 67 69 A Y E +AB 23 58A 16 -44,-3.4 -44,-1.6 -2,-0.6 2,-0.3 -0.649 16.7 173.5 -91.1 144.8 52.7 100.6 12.6 68 70 A Y E - B 0 57A 50 -11,-2.5 -11,-2.8 -2,-0.3 -46,-0.1 -0.986 33.4-100.9-144.1 150.8 53.6 97.5 14.5 69 71 A S E - B 0 56A 28 -2,-0.3 -13,-0.3 -52,-0.3 -14,-0.1 -0.341 18.1-167.2 -69.2 149.0 51.6 95.0 16.7 70 72 A L S S+ 0 0 94 -15,-3.3 2,-0.4 -2,-0.1 -14,-0.2 0.387 70.1 73.0-110.5 -4.5 51.6 95.2 20.5 71 73 A V S S- 0 0 36 -16,-0.7 2,-0.5 4,-0.0 -2,-0.1 -0.907 88.9-110.7-116.2 141.0 50.0 91.8 21.0 72 74 A E >> - 0 0 138 -2,-0.4 4,-2.4 1,-0.1 3,-0.6 -0.591 24.7-140.1 -74.0 120.2 51.7 88.4 20.5 73 75 A E H 3> S+ 0 0 53 -2,-0.5 4,-2.5 1,-0.2 5,-0.3 0.861 97.0 49.1 -43.0 -53.8 50.2 86.7 17.5 74 76 A S H 3> S+ 0 0 33 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.850 113.1 47.3 -67.1 -34.5 50.1 83.2 18.8 75 77 A D H <> S+ 0 0 74 -3,-0.6 4,-3.2 2,-0.2 5,-0.2 0.940 113.3 46.8 -67.3 -49.7 48.5 84.2 22.1 76 78 A I H X S+ 0 0 23 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.877 113.3 47.5 -64.6 -38.9 45.8 86.4 20.6 77 79 A K H X S+ 0 0 6 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.883 115.2 47.4 -67.2 -38.6 44.8 83.8 18.0 78 80 A Y H X S+ 0 0 32 -4,-1.5 4,-2.9 -5,-0.3 5,-0.2 0.941 112.1 47.5 -67.4 -50.0 44.7 81.1 20.6 79 81 A K H X S+ 0 0 111 -4,-3.2 4,-1.9 1,-0.2 -2,-0.2 0.929 114.7 49.2 -55.8 -47.1 42.7 83.2 23.1 80 82 A T H X S+ 0 0 33 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.918 113.0 45.0 -58.6 -47.5 40.4 84.1 20.2 81 83 A S H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.873 109.0 55.9 -67.7 -38.0 39.9 80.5 19.0 82 84 A K H X S+ 0 0 77 -4,-2.9 4,-1.4 1,-0.2 -1,-0.2 0.911 111.7 46.3 -57.9 -40.7 39.4 79.3 22.6 83 85 A N H X S+ 0 0 99 -4,-1.9 4,-1.6 -5,-0.2 -2,-0.2 0.910 113.2 47.1 -65.9 -44.3 36.6 81.8 22.8 84 86 A F H X S+ 0 0 14 -4,-2.2 4,-2.1 1,-0.2 5,-0.3 0.946 111.5 49.9 -66.2 -50.5 35.1 80.9 19.5 85 87 A I H X S+ 0 0 2 -4,-2.9 4,-2.8 1,-0.2 7,-0.4 0.835 109.7 51.3 -60.1 -35.9 35.1 77.1 20.1 86 88 A N H < S+ 0 0 112 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.891 110.5 47.3 -73.7 -35.2 33.5 77.4 23.4 87 89 A K H < S+ 0 0 74 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.864 126.3 29.5 -71.4 -34.2 30.6 79.5 22.2 88 90 A V H < S+ 0 0 0 -4,-2.1 2,-0.7 1,-0.2 -2,-0.2 0.898 117.2 51.8 -92.1 -48.0 30.0 77.2 19.2 89 91 A Y >< - 0 0 3 -4,-2.8 3,-2.1 -5,-0.3 -1,-0.2 -0.815 53.7-168.2-102.8 110.5 31.1 73.7 20.3 90 92 A K T 3 S+ 0 0 103 -2,-0.7 -1,-0.2 1,-0.3 -4,-0.1 0.780 96.9 53.1 -59.5 -22.4 29.6 72.5 23.6 91 93 A G T 3> S- 0 0 47 1,-0.2 4,-0.7 -6,-0.1 3,-0.4 0.370 101.7-149.0 -96.4 2.5 32.3 69.8 23.1 92 94 A G H X> - 0 0 13 -3,-2.1 4,-1.5 -7,-0.4 3,-0.9 -0.100 55.9 -11.2 65.9-161.3 35.2 72.2 22.7 93 95 A F H 3> S+ 0 0 14 1,-0.2 4,-2.7 2,-0.2 3,-0.5 0.832 135.0 46.5 -39.4 -56.0 38.3 71.5 20.6 94 96 A N H 3> S+ 0 0 27 -3,-0.4 4,-3.0 1,-0.3 -1,-0.2 0.831 108.6 57.2 -65.2 -31.6 37.9 67.8 19.8 95 97 A S H - 0 0 56 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 0.218 39.9-101.8 -55.1 170.5 44.2 63.3 1.5 108 110 A Q H > S+ 0 0 159 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.605 124.4 66.7 -64.5 -14.6 46.3 61.0 3.7 109 111 A D H > S+ 0 0 102 2,-0.2 4,-2.2 3,-0.2 -1,-0.2 0.935 106.8 35.8 -67.8 -51.4 48.8 63.8 3.1 110 112 A E H > S+ 0 0 36 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.962 116.4 52.4 -67.4 -54.6 46.7 66.2 5.1 111 113 A I H X S+ 0 0 39 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.851 113.7 47.2 -48.1 -37.5 45.6 63.6 7.6 112 114 A E H X S+ 0 0 86 -4,-1.2 4,-2.8 2,-0.2 -1,-0.2 0.912 104.9 58.4 -70.9 -42.2 49.3 62.9 8.0 113 115 A E H X S+ 0 0 108 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.931 111.1 43.0 -51.5 -51.6 50.2 66.6 8.3 114 116 A L H >X S+ 0 0 16 -4,-2.3 4,-3.6 2,-0.2 3,-0.5 0.940 111.7 52.8 -57.0 -53.7 47.9 66.8 11.3 115 117 A R H 3X S+ 0 0 50 -4,-2.0 4,-2.5 1,-0.3 -1,-0.2 0.815 109.1 52.0 -52.8 -34.0 49.2 63.5 12.6 116 118 A N H 3X S+ 0 0 85 -4,-2.8 4,-1.1 2,-0.2 -1,-0.3 0.822 112.0 45.0 -70.7 -35.4 52.7 65.0 12.3 117 119 A I H << S+ 0 0 25 -4,-1.6 -2,-0.2 -3,-0.5 -3,-0.2 0.919 116.4 44.9 -74.0 -46.7 51.6 68.1 14.2 118 120 A L H < S+ 0 0 11 -4,-3.6 -2,-0.2 1,-0.2 -3,-0.2 0.961 114.0 48.7 -58.8 -54.4 49.8 66.1 16.9 119 121 A N H < 0 0 110 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.817 360.0 360.0 -50.2 -37.8 52.7 63.6 17.2 120 122 A K < 0 0 150 -4,-1.1 -1,-0.2 -5,-0.1 -2,-0.1 -0.598 360.0 360.0 80.9 360.0 55.0 66.7 17.4 121 !* 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 0.0 122 3 B N 0 0 223 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -42.3 18.0 88.9 -0.7 123 4 B K - 0 0 165 0, 0.0 2,-0.4 0, 0.0 0, 0.0 -0.678 360.0-135.2 -95.7 148.3 20.4 89.2 2.2 124 5 B T - 0 0 123 -2,-0.3 2,-0.2 1,-0.0 50,-0.0 -0.833 21.5-149.6 -97.4 143.4 22.0 86.4 4.2 125 6 B Y - 0 0 141 -2,-0.4 2,-0.3 49,-0.3 49,-0.0 -0.528 2.5-139.0-106.0 174.4 22.1 86.6 8.0 126 7 B E - 0 0 142 -2,-0.2 2,-0.6 0, 0.0 50,-0.1 -0.844 20.4-111.4-129.3 162.7 24.5 85.3 10.6 127 8 B I - 0 0 11 -2,-0.3 5,-0.1 49,-0.0 2,-0.0 -0.894 38.0-139.7 -93.9 121.6 24.2 83.8 14.1 128 9 B S > - 0 0 37 -2,-0.6 4,-1.3 1,-0.1 -1,-0.0 -0.239 25.7-101.0 -76.0 169.7 25.6 86.3 16.7 129 10 B S T 4 S+ 0 0 69 1,-0.2 4,-0.4 2,-0.2 3,-0.3 0.899 124.4 43.1 -60.7 -40.9 27.8 85.2 19.6 130 11 B A T >> S+ 0 0 38 1,-0.2 3,-1.6 2,-0.2 4,-0.7 0.875 107.9 61.7 -73.9 -35.9 24.9 85.3 22.1 131 12 B E H 3> S+ 0 0 2 1,-0.3 4,-2.3 2,-0.2 3,-0.3 0.795 87.5 72.4 -59.7 -27.0 22.6 83.7 19.6 132 13 B W H 3X S+ 0 0 4 -4,-1.3 4,-2.1 -3,-0.3 -1,-0.3 0.810 93.2 57.4 -59.4 -24.5 24.8 80.6 19.6 133 14 B E H <> S+ 0 0 25 -3,-1.6 4,-1.9 -4,-0.4 -1,-0.2 0.910 106.7 44.5 -73.6 -41.2 23.5 79.8 23.1 134 15 B V H X S+ 0 0 0 -4,-0.7 4,-3.6 -3,-0.3 5,-0.2 0.935 114.3 51.7 -62.6 -47.5 19.8 79.7 22.0 135 16 B M H X S+ 0 0 0 -4,-2.3 4,-3.2 1,-0.2 5,-0.2 0.921 109.4 48.6 -54.4 -49.9 20.8 77.7 19.0 136 17 B N H X S+ 0 0 22 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.2 0.898 114.1 45.8 -62.4 -41.0 22.6 75.2 21.0 137 18 B I H X S+ 0 0 8 -4,-1.9 4,-2.4 2,-0.2 5,-0.3 0.937 112.0 51.4 -67.1 -49.5 19.8 74.8 23.5 138 19 B I H X S+ 0 0 1 -4,-3.6 4,-2.1 1,-0.2 -2,-0.2 0.948 110.6 49.0 -50.1 -54.8 17.2 74.6 20.6 139 20 B W H < S+ 0 0 28 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.841 111.5 50.9 -53.6 -35.1 19.3 71.8 19.1 140 21 B M H < S+ 0 0 128 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.883 119.1 34.1 -71.6 -37.1 19.5 70.1 22.5 141 22 B K H < S- 0 0 87 -4,-2.4 2,-2.2 -3,-0.2 -2,-0.2 0.569 87.5-154.6 -97.2 -10.1 15.8 70.1 23.1 142 23 B K S < S+ 0 0 157 -4,-2.1 48,-0.4 -5,-0.3 2,-0.3 -0.130 79.8 27.0 66.2 -39.9 14.8 69.7 19.4 143 24 B Y S S+ 0 0 97 -2,-2.2 2,-0.3 46,-0.1 46,-0.2 -0.919 81.9 148.5-158.1 114.7 11.4 71.5 20.0 144 25 B A E -C 188 0B 1 44,-1.9 44,-2.7 -2,-0.3 -2,-0.0 -0.987 41.0-114.5-163.3 140.1 10.8 74.0 22.8 145 26 B S E > -C 187 0B 13 -2,-0.3 4,-2.6 42,-0.3 5,-0.2 -0.293 41.6-108.4 -66.2 157.9 9.0 77.2 24.1 146 27 B A H > S+ 0 0 5 40,-0.6 4,-2.4 2,-0.2 5,-0.1 0.914 125.1 53.3 -47.2 -45.5 10.9 80.4 24.7 147 28 B N H > S+ 0 0 100 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.933 105.1 49.8 -58.0 -53.3 10.2 79.4 28.4 148 29 B N H > S+ 0 0 80 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.930 116.0 45.6 -45.9 -50.5 11.7 76.0 28.1 149 30 B I H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.835 110.5 53.4 -65.2 -37.3 14.7 77.7 26.5 150 31 B I H X S+ 0 0 8 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.938 106.2 51.6 -68.2 -47.5 14.8 80.4 29.2 151 32 B E H X S+ 0 0 146 -4,-3.0 4,-0.7 1,-0.2 3,-0.2 0.958 113.6 45.3 -50.2 -55.9 14.9 78.0 32.1 152 33 B E H >X S+ 0 0 51 -4,-1.8 4,-1.3 1,-0.2 3,-1.2 0.899 111.0 50.2 -56.2 -47.4 17.9 76.1 30.5 153 34 B I H 3< S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.843 104.6 60.6 -64.6 -31.1 19.9 79.1 29.5 154 35 B Q H 3< S+ 0 0 85 -4,-2.0 -1,-0.3 -3,-0.2 -2,-0.2 0.668 98.7 56.1 -73.2 -17.3 19.5 80.5 33.0 155 36 B M H << S+ 0 0 119 -3,-1.2 -1,-0.2 -4,-0.7 -2,-0.2 0.865 122.1 27.6 -74.2 -42.0 21.2 77.4 34.5 156 37 B Q S < S+ 0 0 142 -4,-1.3 -3,-0.1 -3,-0.0 -2,-0.1 0.781 129.1 18.8 -79.0-106.1 24.3 78.1 32.3 157 38 B K S S- 0 0 97 -4,-0.1 2,-0.4 1,-0.1 -1,-0.0 0.043 77.5-122.2 -52.7 170.1 24.6 81.8 31.4 158 39 B D + 0 0 149 -3,-0.1 2,-0.3 2,-0.0 -4,-0.1 -0.693 50.9 142.0-127.6 78.4 22.9 84.6 33.5 159 40 B W - 0 0 66 -2,-0.4 -6,-0.0 -9,-0.1 -5,-0.0 -0.801 52.2 -98.6-121.9 158.2 20.7 86.7 31.2 160 41 B S > - 0 0 51 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.447 28.0-126.1 -69.2 145.4 17.3 88.4 31.4 161 42 B P H > S+ 0 0 51 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.699 114.6 60.7 -62.0 -18.7 14.3 86.6 29.9 162 43 B K H > S+ 0 0 151 2,-0.2 4,-1.7 3,-0.1 5,-0.1 0.937 106.7 45.2 -75.3 -47.2 13.8 89.8 28.0 163 44 B T H >> S+ 0 0 65 2,-0.2 4,-2.3 1,-0.2 3,-0.7 0.973 113.1 47.4 -47.4 -67.2 17.2 89.3 26.5 164 45 B I H 3X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.3 -2,-0.2 0.905 111.4 53.5 -51.3 -41.8 16.8 85.6 25.7 165 46 B R H 3X S+ 0 0 113 -4,-1.9 4,-2.3 1,-0.2 -1,-0.3 0.887 108.3 49.5 -61.7 -36.3 13.4 86.4 24.2 166 47 B T H S+ 0 0 0 -4,-2.7 5,-3.2 1,-0.2 6,-1.0 0.875 113.2 51.7 -58.8 -34.9 17.0 84.1 15.1 172 53 B Y H ><5S+ 0 0 68 -4,-2.1 3,-1.3 -5,-0.3 -2,-0.2 0.955 109.1 46.0 -68.9 -52.2 13.4 83.7 14.0 173 54 B K H 3<5S+ 0 0 164 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.822 112.1 53.6 -59.6 -30.5 13.4 86.8 11.8 174 55 B K H 3<5S- 0 0 54 -4,-2.4 -49,-0.3 -5,-0.2 -1,-0.3 0.642 116.1-120.4 -75.0 -15.4 16.7 85.7 10.3 175 56 B G T <<5S+ 0 0 40 -3,-1.3 -3,-0.2 -4,-0.6 -2,-0.1 0.854 79.6 120.9 74.7 39.1 15.1 82.3 9.5 176 57 B F S S-D 185 0B 77 3,-1.9 3,-2.1 -2,-0.9 -2,-0.0 -0.908 78.3 -30.2 -85.9 123.2 1.2 73.9 20.6 183 64 B N T 3 S- 0 0 128 -2,-0.6 2,-0.2 1,-0.3 -1,-0.2 0.762 126.2 -41.8 28.6 65.2 -1.9 74.9 22.7 184 65 B K T 3 S+ 0 0 183 -3,-0.2 2,-0.4 1,-0.1 -1,-0.3 -0.043 120.4 95.3 85.1 -29.4 -1.4 78.7 22.6 185 66 B I E < S- D 0 182B 92 -3,-2.1 -3,-1.9 -2,-0.2 2,-0.3 -0.795 75.1-119.2-100.7 132.1 2.4 78.7 23.2 186 67 B F E - D 0 181B 67 -2,-0.4 -40,-0.6 -5,-0.2 2,-0.4 -0.497 22.3-158.5 -66.0 128.9 5.0 78.9 20.4 187 68 B Q E -CD 145 180B 19 -7,-2.9 -7,-1.6 -2,-0.3 2,-0.3 -0.910 11.8-147.0-102.7 138.7 7.5 76.0 20.2 188 69 B Y E +CD 144 179B 15 -44,-2.7 -44,-1.9 -2,-0.4 2,-0.3 -0.842 20.0 171.5-111.3 142.9 10.8 76.7 18.4 189 70 B Y E - D 0 178B 49 -11,-1.9 -11,-2.3 -2,-0.3 2,-0.2 -0.939 35.8 -95.7-143.2 162.6 12.9 74.3 16.3 190 71 B S E - D 0 177B 31 -48,-0.4 -13,-0.2 -2,-0.3 -14,-0.1 -0.564 19.1-170.1 -83.8 145.0 15.9 74.6 14.1 191 72 B L S S+ 0 0 100 -15,-2.6 2,-0.4 -2,-0.2 -14,-0.2 0.329 74.3 66.9-109.6 -0.7 15.7 75.0 10.3 192 73 B V S S- 0 0 42 -16,-0.6 2,-0.2 4,-0.0 -2,-0.0 -0.971 89.4-112.7-120.5 140.7 19.5 74.5 9.8 193 74 B E > - 0 0 143 -2,-0.4 4,-2.3 1,-0.1 5,-0.3 -0.481 23.9-132.6 -73.7 137.5 21.4 71.3 10.4 194 75 B E H > S+ 0 0 63 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.942 99.7 43.1 -57.5 -59.1 23.8 71.5 13.4 195 76 B S H > S+ 0 0 41 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.827 114.3 52.4 -61.1 -33.7 27.0 70.0 11.9 196 77 B D H > S+ 0 0 67 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.953 113.5 39.9 -68.1 -50.4 26.6 71.9 8.6 197 78 B I H X S+ 0 0 19 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.898 114.8 53.2 -71.2 -38.0 26.2 75.3 10.1 198 79 B K H X S+ 0 0 2 -4,-2.8 4,-3.2 -5,-0.3 5,-0.2 0.962 113.7 43.2 -56.9 -53.4 28.9 74.7 12.7 199 80 B Y H X S+ 0 0 41 -4,-2.2 4,-3.7 2,-0.2 5,-0.4 0.973 111.9 52.5 -56.6 -59.9 31.4 73.6 10.1 200 81 B K H X S+ 0 0 114 -4,-2.6 4,-1.7 -5,-0.2 -1,-0.2 0.916 115.4 44.6 -34.7 -52.5 30.4 76.5 7.8 201 82 B T H X S+ 0 0 35 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.928 113.9 45.5 -67.0 -46.4 31.0 78.7 10.8 202 83 B S H X S+ 0 0 0 -4,-3.2 4,-3.0 1,-0.2 5,-0.2 0.899 111.2 54.8 -65.8 -41.6 34.3 77.2 11.9 203 84 B K H X S+ 0 0 77 -4,-3.7 4,-1.1 -5,-0.2 -1,-0.2 0.877 110.4 46.7 -57.0 -40.5 35.5 77.2 8.3 204 85 B N H X S+ 0 0 85 -4,-1.7 4,-1.2 -5,-0.4 -2,-0.2 0.870 112.1 49.9 -72.2 -33.8 34.7 80.9 8.2 205 86 B F H X S+ 0 0 13 -4,-2.2 4,-2.1 1,-0.2 3,-0.5 0.932 107.7 52.2 -68.8 -47.2 36.4 81.7 11.5 206 87 B I H X S+ 0 0 3 -4,-3.0 4,-2.5 1,-0.2 7,-0.4 0.821 107.8 54.6 -58.8 -32.2 39.6 79.8 10.6 207 88 B N H < S+ 0 0 100 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.803 109.4 43.5 -78.2 -29.3 39.9 81.8 7.4 208 89 B K H < S+ 0 0 77 -4,-1.2 -2,-0.2 -3,-0.5 -1,-0.2 0.872 125.6 32.9 -80.5 -35.0 39.7 85.2 8.9 209 90 B V H < S+ 0 0 0 -4,-2.1 2,-0.6 1,-0.2 -2,-0.2 0.889 115.2 52.5 -86.8 -42.6 42.1 84.5 11.7 210 91 B Y >< - 0 0 7 -4,-2.5 3,-1.1 -5,-0.3 -1,-0.2 -0.854 48.1-172.8-111.3 112.3 44.5 81.9 10.3 211 92 B K T 3 S+ 0 0 112 -2,-0.6 -1,-0.2 1,-0.2 -4,-0.0 0.789 95.5 54.6 -64.8 -26.8 46.5 82.5 7.1 212 93 B G T 3 S- 0 0 49 1,-0.2 4,-0.4 -3,-0.1 3,-0.3 0.554 102.1-148.7 -81.2 -9.7 47.7 78.9 7.5 213 94 B G X> - 0 0 14 -3,-1.1 4,-1.6 -7,-0.4 3,-0.5 -0.359 54.6 -15.2 76.2-156.7 44.1 77.5 7.7 214 95 B F H >> S+ 0 0 22 1,-0.2 4,-2.4 2,-0.2 3,-0.7 0.910 135.2 51.2 -47.9 -58.8 43.0 74.5 9.7 215 96 B N H 3> S+ 0 0 23 -3,-0.3 4,-2.6 1,-0.3 -1,-0.2 0.838 107.5 56.1 -50.2 -37.1 46.5 73.0 10.3 216 97 B S H <> S+ 0 0 37 -3,-0.5 4,-1.8 -4,-0.4 -1,-0.3 0.904 106.7 48.7 -62.6 -44.4 47.6 76.3 11.6 217 98 B L H S+ 0 0 4 -4,-2.6 5,-2.2 1,-0.2 6,-0.3 0.847 113.6 50.7 -62.5 -34.6 46.5 74.8 20.1 222 103 B V H ><5S+ 0 0 20 -4,-1.8 3,-1.6 -5,-0.2 5,-0.2 0.932 107.1 50.0 -71.2 -49.1 49.3 72.2 20.3 223 104 B E H 3<5S+ 0 0 98 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.652 105.9 59.6 -69.8 -10.8 52.2 74.7 20.9 224 105 B K T 3<5S- 0 0 52 -4,-0.8 -1,-0.3 -5,-0.1 -2,-0.1 0.036 111.0-121.4 -98.0 25.8 50.0 76.2 23.7 225 106 B E T < 5 + 0 0 179 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.821 67.5 142.2 33.9 44.6 49.9 72.8 25.6 226 107 B D < + 0 0 50 -5,-2.2 2,-0.5 -6,-0.1 -4,-0.2 0.645 50.5 70.5 -84.7 -11.2 46.2 73.0 25.3 227 108 B L S S- 0 0 18 -6,-0.3 2,-0.1 -5,-0.2 -1,-0.1 -0.907 74.2-139.0-112.4 127.5 45.9 69.3 24.7 228 109 B S > - 0 0 64 -2,-0.5 4,-2.6 1,-0.1 3,-0.4 -0.412 32.6-104.8 -76.0 156.7 46.5 66.5 27.3 229 110 B Q H > S+ 0 0 176 1,-0.3 4,-1.6 2,-0.2 -1,-0.1 0.877 125.3 48.4 -46.3 -45.9 48.3 63.3 26.4 230 111 B D H > S+ 0 0 118 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.836 110.0 52.8 -62.6 -37.9 44.9 61.5 26.4 231 112 B E H > S+ 0 0 50 -3,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.937 107.6 48.7 -65.3 -48.6 43.4 64.2 24.2 232 113 B I H X S+ 0 0 33 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.860 110.2 55.7 -56.4 -36.6 46.2 63.9 21.6 233 114 B E H X S+ 0 0 91 -4,-1.6 4,-1.0 -5,-0.3 3,-0.3 0.975 107.1 47.4 -55.1 -59.4 45.5 60.2 21.8 234 115 B E H X S+ 0 0 111 -4,-2.3 4,-1.9 1,-0.2 3,-0.3 0.822 110.8 51.5 -54.6 -41.2 41.8 60.7 21.0 235 116 B L H X S+ 0 0 3 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.864 104.2 56.7 -68.5 -37.9 42.5 63.0 18.1 236 117 B R H X S+ 0 0 59 -4,-2.0 4,-2.2 -3,-0.3 -1,-0.2 0.773 109.1 48.6 -63.7 -24.4 44.9 60.5 16.6 237 118 B N H < S+ 0 0 93 -4,-1.0 4,-0.3 -3,-0.3 -2,-0.2 0.851 106.6 52.7 -80.7 -39.1 42.0 58.0 16.6 238 119 B I H < S+ 0 0 38 -4,-1.9 3,-0.3 1,-0.2 -2,-0.2 0.841 118.6 40.5 -61.9 -31.4 39.5 60.5 15.0 239 120 B L H < S+ 0 0 2 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.923 100.6 69.3 -77.6 -49.9 42.2 60.8 12.3 240 121 B N < 0 0 90 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.413 360.0 360.0 -59.0 2.7 43.3 57.1 12.1 241 122 B K 0 0 178 -3,-0.3 -3,-0.0 -4,-0.3 -4,-0.0 -0.278 360.0 360.0 -55.3 360.0 39.9 56.5 10.6