==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN/DNA 11-APR-95 1GDT . COMPND 2 MOLECULE: SITE I OF RES DNA; . SOURCE 2 SYNTHETIC: YES; . AUTHOR W.YANG,T.A.STEITZ . 366 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21903.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 280 76.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 0 0.0 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 . 21 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 166 45.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 3.3 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 2 5 1 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 1 0 0 4 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 . 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A M 0 0 152 0, 0.0 2,-0.3 0, 0.0 58,-0.1 0.000 360.0 360.0 360.0 158.0 38.8 34.0 3.5 2 2 A R - 0 0 91 54,-0.2 58,-2.2 30,-0.0 2,-0.6 -0.897 360.0-136.4-129.1 155.1 35.4 34.3 2.0 3 3 A L E +a 60 0A 59 -2,-0.3 26,-0.5 56,-0.2 2,-0.2 -0.966 32.6 177.3-113.0 112.5 33.2 37.3 1.0 4 4 A F E -a 61 0A 0 56,-3.6 58,-2.4 -2,-0.6 2,-0.3 -0.714 14.0-150.4-112.8 165.8 29.6 36.8 2.1 5 5 A G E -ab 62 33A 0 27,-2.0 29,-1.5 -2,-0.2 2,-0.3 -0.906 7.7-166.7-133.9 160.6 26.5 38.9 1.9 6 6 A Y E -ab 63 34A 0 56,-1.5 58,-0.6 -2,-0.3 2,-0.3 -0.997 5.9-177.7-148.7 151.6 23.4 39.4 3.9 7 7 A A E - b 0 35A 0 27,-1.6 29,-2.7 -2,-0.3 2,-0.4 -0.905 13.4-159.3-156.6 119.1 20.0 41.0 3.6 8 8 A R E - b 0 36A 23 60,-0.6 2,-0.4 -2,-0.3 29,-0.2 -0.798 30.2-139.0 -90.1 140.4 17.0 41.3 6.0 9 9 A V E - b 0 37A 2 27,-3.0 29,-2.5 -2,-0.4 2,-0.3 -0.903 8.3-148.6-114.3 134.4 13.9 42.0 4.0 10 10 A S S S- 0 0 58 -2,-0.4 2,-1.9 2,-0.2 5,-0.3 -0.647 81.4 -5.6 -90.1 151.8 11.0 44.4 4.7 11 11 A T S S- 0 0 126 -2,-0.3 2,-0.3 27,-0.1 -2,-0.1 -0.435 117.3 -75.1 63.6 -81.8 7.5 43.5 3.5 12 12 A S S >> S- 0 0 38 -2,-1.9 3,-1.8 25,-0.0 4,-1.4 -0.974 73.4 -26.2 179.1-169.1 8.6 40.3 1.6 13 13 A Q H 3> S+ 0 0 99 -2,-0.3 4,-1.5 1,-0.3 -2,-0.1 0.658 120.7 61.6 -33.0 -37.5 10.3 38.7 -1.4 14 14 A Q H 3> S+ 0 0 101 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.935 107.6 41.9 -64.2 -43.7 9.6 41.7 -3.7 15 15 A S H X> S+ 0 0 27 -3,-1.8 4,-1.0 -5,-0.3 3,-0.6 0.861 108.1 68.7 -68.9 -35.2 11.6 44.1 -1.6 16 16 A L H >X S+ 0 0 22 -4,-1.4 4,-2.3 1,-0.2 3,-1.5 0.921 87.8 56.9 -47.5 -65.8 14.3 41.4 -1.3 17 17 A D H 3X S+ 0 0 94 -4,-1.5 4,-1.9 1,-0.3 -1,-0.2 0.788 101.9 59.3 -42.4 -36.8 15.7 41.2 -4.8 18 18 A I H S+ 0 0 0 -4,-2.0 5,-2.1 2,-0.2 4,-1.1 0.824 109.9 49.9 -66.8 -32.3 25.0 43.2 -2.9 24 24 A K H <5S+ 0 0 103 -4,-0.9 3,-0.3 2,-0.2 -2,-0.2 0.893 108.8 51.5 -71.0 -40.2 25.7 41.6 -6.4 25 25 A D H <5S+ 0 0 111 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.694 107.9 55.1 -65.4 -22.4 26.5 45.1 -7.6 26 26 A A H <5S- 0 0 46 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.752 126.4-102.1 -80.6 -30.5 28.9 45.3 -4.6 27 27 A G T <5 + 0 0 47 -4,-1.1 -3,-0.2 -3,-0.3 -2,-0.1 0.285 68.5 146.2 127.3 -9.3 30.6 42.1 -5.7 28 28 A V < - 0 0 5 -5,-2.1 -1,-0.3 1,-0.1 2,-0.3 -0.313 60.0-103.3 -61.8 139.2 29.3 39.4 -3.5 29 29 A K > - 0 0 127 -26,-0.5 3,-2.8 1,-0.2 -24,-0.1 -0.515 29.4-121.2 -65.7 128.1 29.0 36.1 -5.3 30 30 A A T 3 S+ 0 0 62 1,-0.3 -1,-0.2 -2,-0.3 3,-0.1 0.493 112.9 42.3 -47.9 -10.7 25.4 35.5 -6.2 31 31 A N T 3 S+ 0 0 111 1,-0.1 -1,-0.3 3,-0.0 -2,-0.1 0.481 103.3 65.4-113.2 -12.0 25.4 32.2 -4.2 32 32 A R S < S+ 0 0 65 -3,-2.8 -27,-2.0 -29,-0.1 2,-0.4 -0.017 81.6 104.6 -97.0 25.3 27.3 33.5 -1.2 33 33 A I E -b 5 0A 23 -29,-0.2 2,-0.4 -3,-0.1 -27,-0.2 -0.872 55.0-160.5-107.6 137.8 24.5 35.9 -0.4 34 34 A F E -b 6 0A 28 -29,-1.5 -27,-1.6 -2,-0.4 2,-0.3 -0.987 8.7-171.1-123.5 132.6 22.1 35.1 2.5 35 35 A T E -b 7 0A 49 -2,-0.4 2,-0.3 -29,-0.2 12,-0.3 -0.860 10.2-167.1-123.3 156.7 18.7 36.6 2.9 36 36 A D E -b 8 0A 9 -29,-2.7 -27,-3.0 -2,-0.3 2,-0.6 -0.962 19.2-139.3-145.0 120.6 16.0 36.7 5.6 37 37 A K E -b 9 0A 95 -2,-0.3 2,-1.8 -29,-0.2 8,-0.2 -0.740 42.1-107.3 -80.3 117.4 12.4 37.9 5.2 38 38 A A - 0 0 51 -29,-2.5 3,-0.2 -2,-0.6 -27,-0.1 -0.254 40.6-175.7 -51.5 82.5 11.7 39.8 8.4 39 39 A S - 0 0 60 -2,-1.8 2,-2.9 1,-0.2 -1,-0.2 0.812 4.4-178.7 -49.6 -40.8 9.5 37.3 10.1 40 40 A G + 0 0 63 2,-0.2 -1,-0.2 1,-0.2 -2,-0.0 -0.390 64.7 75.0 72.4 -67.2 8.8 39.7 12.9 41 41 A S S S+ 0 0 112 -2,-2.9 2,-0.3 -3,-0.2 -1,-0.2 0.831 104.5 19.8 -41.8 -54.6 6.6 37.2 14.8 42 42 A S S S- 0 0 66 0, 0.0 2,-1.1 0, 0.0 3,-0.3 -0.848 75.1-114.8-125.5 161.3 9.4 34.9 16.0 43 43 A S S S+ 0 0 89 -2,-0.3 -2,-0.0 1,-0.2 0, 0.0 -0.794 71.9 112.3 -92.8 93.1 13.2 35.0 16.6 44 44 A D - 0 0 56 -2,-1.1 -1,-0.2 0, 0.0 5,-0.1 0.604 38.8-176.3-124.8 -64.9 14.4 32.4 14.1 45 45 A R > - 0 0 42 -3,-0.3 4,-2.7 -8,-0.2 5,-0.2 0.984 6.4-176.4 56.6 70.9 16.5 33.9 11.2 46 46 A K H > S+ 0 0 157 2,-0.2 4,-1.1 1,-0.2 5,-0.1 0.961 79.0 46.3 -62.4 -56.2 17.1 30.8 9.1 47 47 A G H > S+ 0 0 7 -12,-0.3 4,-2.1 1,-0.2 3,-0.5 0.897 116.0 48.2 -54.0 -41.2 19.4 32.4 6.4 48 48 A L H > S+ 0 0 0 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.928 104.8 56.7 -67.0 -45.5 21.4 34.1 9.1 49 49 A D H < S+ 0 0 74 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.713 109.2 50.2 -59.1 -20.0 21.8 30.9 11.2 50 50 A L H >X S+ 0 0 89 -4,-1.1 4,-2.2 -3,-0.5 3,-1.5 0.923 109.9 47.6 -79.4 -51.3 23.3 29.5 8.1 51 51 A L H 3X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.3 -2,-0.2 0.916 106.6 57.4 -53.8 -49.7 25.7 32.4 7.6 52 52 A R H 3< S+ 0 0 77 -4,-3.1 -1,-0.3 1,-0.2 -2,-0.2 0.686 113.1 42.9 -57.6 -18.1 26.8 32.2 11.3 53 53 A M H <4 S+ 0 0 136 -3,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.791 110.8 50.0 -98.4 -36.7 27.7 28.6 10.6 54 54 A K H < S+ 0 0 71 -4,-2.2 2,-0.2 2,-0.0 -2,-0.2 0.741 94.4 92.0 -75.1 -22.6 29.5 28.9 7.2 55 55 A V < + 0 0 6 -4,-2.1 2,-0.3 -5,-0.3 33,-0.1 -0.512 51.8 177.8 -77.1 138.8 31.7 31.7 8.5 56 56 A E > - 0 0 110 -2,-0.2 3,-2.0 1,-0.2 -54,-0.2 -0.896 49.0 -60.6-130.6 161.3 35.0 30.9 10.0 57 57 A E T 3 S+ 0 0 149 -2,-0.3 30,-0.2 1,-0.2 31,-0.2 0.008 121.8 31.7 -42.6 141.1 37.6 33.4 11.2 58 58 A G T 3 S+ 0 0 34 29,-1.3 -1,-0.2 1,-0.3 30,-0.1 0.018 87.1 126.1 98.4 -28.7 38.8 35.8 8.5 59 59 A D < - 0 0 0 -3,-2.0 30,-1.5 -58,-0.1 2,-0.4 0.002 49.4-140.4 -59.3 168.7 35.6 35.9 6.5 60 60 A V E -ac 3 89A 33 -58,-2.2 -56,-3.6 28,-0.2 2,-0.5 -1.000 7.7-159.3-136.6 131.0 33.9 39.2 5.5 61 61 A I E -ac 4 90A 0 28,-2.5 30,-2.7 -2,-0.4 2,-0.4 -0.953 8.0-157.6-113.1 133.5 30.2 39.8 5.5 62 62 A L E +ac 5 91A 16 -58,-2.4 -56,-1.5 -2,-0.5 2,-0.3 -0.880 15.4 172.5-108.3 142.9 28.8 42.7 3.4 63 63 A V E -ac 6 92A 0 28,-2.3 30,-2.0 -2,-0.4 31,-0.2 -0.986 37.6-123.1-151.9 141.2 25.4 44.2 4.1 64 64 A K S S- 0 0 29 -58,-0.6 30,-2.0 -2,-0.3 2,-0.3 0.901 84.4 -19.9 -49.1 -54.9 23.6 47.3 2.8 65 65 A K S > S- 0 0 67 28,-0.1 3,-1.8 1,-0.1 4,-0.2 -0.989 70.1 -91.9-158.7 155.6 23.0 49.1 6.1 66 66 A L G >> S+ 0 0 1 1,-0.3 3,-2.3 -2,-0.3 4,-0.8 0.814 119.2 56.8 -33.4 -56.9 22.9 48.6 9.8 67 67 A D G 34 S+ 0 0 53 1,-0.3 -1,-0.3 2,-0.2 -3,-0.0 0.099 98.0 63.9 -72.6 26.7 19.2 48.0 9.9 68 68 A R G <4 S+ 0 0 37 -3,-1.8 -60,-0.6 -2,-0.8 -1,-0.3 0.244 100.3 51.1-124.2 0.5 19.5 45.1 7.5 69 69 A L T <4 S+ 0 0 0 -3,-2.3 2,-0.3 -4,-0.2 -2,-0.2 0.578 118.7 15.8-110.4 -22.0 21.7 43.0 9.8 70 70 A G < - 0 0 2 -4,-0.8 -1,-0.2 1,-0.2 3,-0.1 -0.913 56.0-134.1-148.8 171.5 19.4 43.2 12.9 71 71 A R S S+ 0 0 107 1,-0.4 2,-0.3 -2,-0.3 -1,-0.2 0.867 91.8 14.9 -87.8 -81.4 15.9 44.0 14.3 72 72 A D S >> S- 0 0 58 1,-0.1 3,-2.6 233,-0.0 4,-1.3 -0.700 86.0-107.8 -96.7 151.4 16.5 46.1 17.4 73 73 A T H 3> S+ 0 0 24 1,-0.3 4,-2.6 -2,-0.3 3,-0.2 0.851 119.9 61.0 -41.8 -45.0 19.9 47.7 18.2 74 74 A A H 3> S+ 0 0 48 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.789 99.7 55.4 -56.3 -31.6 20.4 45.2 20.9 75 75 A D H <> S+ 0 0 28 -3,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.937 109.1 46.9 -67.5 -44.7 20.3 42.4 18.3 76 76 A M H X S+ 0 0 9 -4,-1.3 4,-3.4 -3,-0.2 5,-0.4 0.946 105.8 61.3 -61.4 -49.0 23.1 44.1 16.4 77 77 A I H X S+ 0 0 17 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.921 117.0 26.6 -42.2 -69.0 25.1 44.6 19.5 78 78 A Q H X S+ 0 0 109 -4,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.856 118.1 60.0 -67.9 -34.7 25.5 40.9 20.4 79 79 A L H X S+ 0 0 7 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.2 0.915 112.9 39.7 -58.9 -41.5 25.2 39.7 16.7 80 80 A I H X S+ 0 0 0 -4,-3.4 4,-2.9 2,-0.2 5,-0.2 0.938 110.0 58.9 -71.6 -47.6 28.2 41.8 15.9 81 81 A K H X S+ 0 0 108 -4,-2.7 4,-2.0 -5,-0.4 -2,-0.2 0.852 108.1 49.5 -49.2 -36.6 29.9 40.8 19.2 82 82 A E H X S+ 0 0 75 -4,-2.5 4,-2.4 2,-0.2 6,-0.2 0.997 110.1 46.1 -66.6 -62.6 29.6 37.3 17.9 83 83 A F H <>S+ 0 0 2 -4,-2.0 5,-2.5 1,-0.2 -2,-0.2 0.813 113.8 52.6 -50.6 -35.0 31.0 37.9 14.4 84 84 A D H ><5S+ 0 0 32 -4,-2.9 3,-2.1 3,-0.2 -1,-0.2 0.944 109.0 44.8 -66.8 -56.1 33.9 39.8 16.0 85 85 A A H 3<5S+ 0 0 94 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.907 109.9 58.0 -55.6 -40.5 35.0 37.2 18.5 86 86 A Q T 3<5S- 0 0 83 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.449 120.7-114.6 -69.2 -0.3 34.7 34.6 15.7 87 87 A G T < 5S+ 0 0 32 -3,-2.1 -29,-1.3 1,-0.3 2,-0.3 0.492 75.6 132.0 78.0 2.2 37.2 36.8 13.8 88 88 A V < - 0 0 2 -5,-2.5 -1,-0.3 -6,-0.2 2,-0.3 -0.629 39.6-160.3 -88.6 145.3 34.6 37.7 11.2 89 89 A S E -c 60 0A 20 -30,-1.5 -28,-2.5 -2,-0.3 2,-0.4 -0.831 2.5-152.0-122.5 161.7 34.0 41.2 10.1 90 90 A I E -c 61 0A 1 -2,-0.3 9,-2.3 -30,-0.2 2,-0.5 -0.992 2.9-150.9-135.6 144.8 31.1 43.0 8.4 91 91 A R E -cD 62 98A 111 -30,-2.7 -28,-2.3 -2,-0.4 2,-1.3 -0.963 9.5-147.3-121.6 125.7 30.9 46.0 6.2 92 92 A F E >> -c 63 0A 0 5,-2.9 3,-1.8 -2,-0.5 4,-1.2 -0.773 19.0-160.4 -89.4 94.5 27.9 48.3 6.0 93 93 A I G >4 S+ 0 0 57 -30,-2.0 3,-1.0 -2,-1.3 2,-0.3 0.895 84.6 40.7 -39.5 -66.5 28.2 49.3 2.3 94 94 A D G 34 S+ 0 0 95 -30,-2.0 -1,-0.3 1,-0.2 -30,-0.1 0.041 120.9 46.7 -78.9 28.8 26.1 52.5 2.3 95 95 A D G <4 S- 0 0 27 -3,-1.8 -1,-0.2 -2,-0.3 -2,-0.2 0.401 92.5-133.6-142.2 -12.0 27.6 53.6 5.6 96 96 A G << + 0 0 26 -4,-1.2 -3,-0.1 -3,-1.0 -2,-0.1 0.150 61.2 138.4 75.1 -23.8 31.3 53.1 5.3 97 97 A I + 0 0 0 -5,-0.3 -5,-2.9 196,-0.1 2,-0.3 -0.255 28.1 177.9 -57.4 136.2 31.1 51.4 8.7 98 98 A S B -D 91 0A 16 -7,-0.2 -7,-0.2 -3,-0.1 9,-0.1 -0.993 32.9-145.5-141.8 136.7 33.2 48.3 9.0 99 99 A T > + 0 0 0 -9,-2.3 5,-1.0 -2,-0.3 6,-0.1 0.161 41.8 163.9 -88.9 20.6 33.7 46.2 12.1 100 100 A D T > 5 - 0 0 90 -10,-0.2 3,-1.8 3,-0.2 2,-0.3 -0.137 62.5 -65.2 -44.0 101.7 37.3 45.6 10.9 101 101 A G T 3>5S+ 0 0 47 1,-0.3 4,-0.5 2,-0.2 3,-0.4 -0.266 130.2 16.2 56.1-108.9 39.1 44.2 13.9 102 102 A E H >>5S+ 0 0 138 -2,-0.3 4,-1.3 1,-0.2 3,-1.2 0.878 118.7 68.0 -63.3 -39.6 39.2 46.9 16.6 103 103 A M H <>5S+ 0 0 77 -3,-1.8 4,-2.8 1,-0.3 3,-0.4 0.886 87.7 68.9 -47.6 -44.1 36.5 48.9 14.9 104 104 A G H 3>X S+ 0 0 0 -4,-1.9 4,-3.1 -3,-0.3 3,-1.7 0.967 109.6 54.9 -62.9 -51.7 28.1 53.3 20.2 111 111 A L H 3X S+ 0 0 1 -4,-2.3 4,-1.7 1,-0.3 -2,-0.2 0.885 114.7 38.8 -49.3 -45.8 25.2 51.0 19.7 112 112 A S H 3X S+ 0 0 57 -4,-2.6 4,-0.6 2,-0.2 -1,-0.3 0.476 113.8 57.5 -85.2 -3.8 24.9 50.4 23.5 113 113 A A H <> S+ 0 0 6 -3,-1.7 4,-2.2 -4,-0.5 -2,-0.2 0.900 111.5 39.1 -86.3 -51.8 25.8 54.0 24.2 114 114 A V H X S+ 0 0 5 -4,-3.1 4,-3.2 1,-0.2 5,-0.3 0.861 113.6 56.9 -65.2 -36.1 22.9 55.4 22.2 115 115 A A H X S+ 0 0 21 -4,-1.7 4,-1.3 -5,-0.4 -1,-0.2 0.897 115.2 34.2 -64.9 -44.5 20.5 52.7 23.3 116 116 A Q H X S+ 0 0 98 -4,-0.6 4,-2.9 2,-0.2 -1,-0.2 0.835 118.0 56.7 -78.7 -30.7 20.8 53.3 27.0 117 117 A A H X S+ 0 0 6 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.962 109.5 42.8 -62.4 -53.4 21.2 57.1 26.3 118 118 A E H X S+ 0 0 36 -4,-3.2 4,-1.9 1,-0.2 -1,-0.2 0.872 115.3 52.7 -60.7 -36.5 17.9 57.3 24.5 119 119 A R H X S+ 0 0 141 -4,-1.3 4,-2.0 -5,-0.3 -2,-0.2 0.924 109.1 47.4 -63.7 -48.1 16.4 55.1 27.2 120 120 A Q H X S+ 0 0 92 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.844 107.8 56.4 -62.8 -40.2 17.7 57.4 30.1 121 121 A R H X S+ 0 0 1 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.981 109.6 45.2 -56.9 -54.0 16.5 60.5 28.3 122 122 A I H X S+ 0 0 82 -4,-1.9 4,-1.9 1,-0.3 5,-0.2 0.850 115.5 45.1 -60.5 -39.3 12.9 59.2 28.1 123 123 A L H X S+ 0 0 85 -4,-2.0 4,-1.7 2,-0.2 -1,-0.3 0.860 109.1 60.1 -72.5 -32.0 12.8 57.9 31.7 124 124 A E H < S+ 0 0 26 -4,-2.5 4,-0.4 -5,-0.2 -2,-0.2 0.955 109.4 41.1 -57.9 -52.3 14.4 61.3 32.7 125 125 A R H >< S+ 0 0 86 -4,-2.3 3,-1.6 1,-0.2 4,-0.5 0.953 115.6 45.6 -64.0 -53.5 11.5 63.2 31.3 126 126 A T H 3X S+ 0 0 74 -4,-1.9 4,-3.1 1,-0.3 5,-0.2 0.778 93.6 83.9 -63.0 -24.3 8.5 61.1 32.5 127 127 A N H 3X S+ 0 0 68 -4,-1.7 4,-1.5 1,-0.2 5,-0.3 0.775 83.9 59.7 -47.9 -33.5 10.2 60.9 35.9 128 128 A E H X> S+ 0 0 94 -3,-1.6 4,-3.0 -4,-0.4 3,-0.5 0.992 114.1 31.7 -60.5 -64.4 8.6 64.3 36.7 129 129 A G H 3>>S+ 0 0 32 -4,-0.5 4,-2.2 1,-0.2 5,-0.9 0.930 113.0 64.1 -61.7 -45.2 5.0 63.2 36.3 130 130 A R H 3<5S+ 0 0 140 -4,-3.1 4,-0.4 1,-0.2 -1,-0.2 0.815 118.4 25.2 -47.7 -40.1 5.8 59.6 37.4 131 131 A Q H S+ 0 0 19 -4,-2.2 4,-2.0 -5,-0.2 5,-1.6 0.893 114.1 57.5 -59.9 -43.5 1.5 62.6 40.1 134 134 A M H 4 - 0 0 93 1,-0.2 4,-2.4 21,-0.2 -1,-0.1 -0.525 38.6-178.6 -75.2 85.0 -17.4 43.3 39.2 148 148 A R H > S+ 0 0 43 -2,-2.0 4,-2.8 1,-0.2 5,-0.2 0.812 75.0 55.1 -56.0 -37.9 -16.1 43.1 42.7 149 149 A D H > S+ 0 0 138 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.953 110.4 44.2 -63.0 -50.3 -19.5 43.8 44.4 150 150 A A H > S+ 0 0 31 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.919 113.4 54.4 -60.4 -41.5 -21.2 41.0 42.5 151 151 A V H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.968 110.0 43.2 -56.8 -56.7 -18.3 38.8 43.3 152 152 A L H X S+ 0 0 40 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.819 111.6 57.4 -61.7 -30.0 -18.3 39.4 47.1 153 153 A N H X S+ 0 0 93 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.966 105.1 47.9 -65.0 -52.8 -22.1 39.0 47.0 154 154 A M H <>S+ 0 0 33 -4,-2.5 5,-2.2 1,-0.2 -1,-0.2 0.899 115.4 47.6 -54.4 -40.4 -22.1 35.5 45.5 155 155 A W H ><5S+ 0 0 98 -4,-2.0 3,-1.8 -5,-0.2 -1,-0.2 0.928 111.3 48.6 -66.3 -43.7 -19.5 34.7 48.1 156 156 A Q H 3<5S+ 0 0 137 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.769 105.4 61.3 -67.1 -23.4 -21.6 36.3 50.8 157 157 A Q T 3<5S- 0 0 134 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.486 124.5-104.6 -78.4 -9.6 -24.4 34.2 49.4 158 158 A G T < 5S+ 0 0 66 -3,-1.8 -3,-0.2 1,-0.3 2,-0.2 0.332 73.1 143.6 101.6 -5.5 -22.5 31.1 50.2 159 159 A L < - 0 0 61 -5,-2.2 -1,-0.3 -6,-0.2 -2,-0.1 -0.452 48.7-120.5 -72.0 136.2 -21.4 30.3 46.7 160 160 A G > - 0 0 38 -2,-0.2 4,-2.1 -3,-0.1 3,-0.3 -0.247 23.1-105.2 -71.1 167.6 -18.0 28.8 46.4 161 161 A A H > S+ 0 0 4 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.871 118.4 57.1 -60.4 -42.8 -15.1 30.3 44.4 162 162 A S H > S+ 0 0 80 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.881 108.5 47.9 -59.3 -38.0 -15.4 27.8 41.6 163 163 A H H > S+ 0 0 68 -3,-0.3 4,-3.0 2,-0.2 5,-0.2 0.964 108.7 52.6 -67.2 -51.8 -19.0 28.9 41.1 164 164 A I H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 6,-0.4 0.910 110.8 47.0 -50.6 -49.7 -18.3 32.6 41.1 165 165 A S H X>S+ 0 0 13 -4,-2.4 5,-0.9 2,-0.2 4,-0.8 0.947 114.2 47.1 -58.2 -50.0 -15.6 32.3 38.4 166 166 A K H ><5S+ 0 0 153 -4,-1.8 3,-0.9 -5,-0.2 -2,-0.2 0.950 113.5 48.2 -56.7 -53.2 -17.7 30.1 36.2 167 167 A T H 3<5S+ 0 0 72 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.827 123.3 28.5 -60.0 -42.6 -20.8 32.3 36.5 168 168 A M H 3<5S- 0 0 45 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.199 104.2-116.6-109.7 20.8 -19.2 35.7 35.8 169 169 A N T <<5 + 0 0 155 -3,-0.9 -3,-0.2 -4,-0.8 2,-0.2 0.664 67.0 140.6 56.5 22.8 -16.3 34.6 33.6 170 170 A I < - 0 0 13 -5,-0.9 2,-0.3 -6,-0.4 -1,-0.2 -0.499 63.2 -94.6 -92.1 160.8 -13.7 35.7 36.0 171 171 A A > - 0 0 52 -2,-0.2 4,-1.4 1,-0.1 3,-0.1 -0.616 32.0-129.6 -73.4 131.9 -10.4 33.9 36.8 172 172 A R H >> S+ 0 0 131 -2,-0.3 4,-1.2 1,-0.2 3,-0.5 0.884 109.8 54.8 -49.6 -45.1 -11.0 31.7 39.9 173 173 A S H >> S+ 0 0 81 1,-0.3 4,-2.3 2,-0.2 3,-1.4 0.959 102.4 57.3 -54.1 -49.2 -7.9 33.1 41.5 174 174 A T H 3> S+ 0 0 22 1,-0.3 4,-3.2 2,-0.2 5,-0.3 0.822 97.6 62.7 -50.2 -36.1 -9.3 36.6 41.0 175 175 A V H - 0 0 38 1,-0.2 4,-1.2 2,-0.1 5,-0.1 -0.254 37.9-177.9 -51.6 98.0 17.3 67.1 39.6 197 13 B Q H > S+ 0 0 99 -2,-0.6 4,-2.4 1,-0.2 -1,-0.2 0.859 86.5 60.9 -65.3 -29.9 19.8 69.8 40.7 198 14 B Q H > S+ 0 0 126 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.928 100.2 49.8 -62.1 -48.9 21.4 66.9 42.5 199 15 B S H > S+ 0 0 31 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.812 109.8 54.9 -61.5 -28.4 22.0 64.9 39.3 200 16 B L H X S+ 0 0 14 -4,-1.2 4,-2.6 2,-0.2 3,-0.4 0.946 103.1 52.9 -70.3 -48.4 23.6 68.1 37.9 201 17 B D H X S+ 0 0 60 -4,-2.4 4,-3.2 1,-0.3 5,-0.4 0.954 106.0 54.8 -49.8 -53.5 26.0 68.5 40.8 202 18 B I H X S+ 0 0 87 -4,-2.0 4,-1.6 2,-0.2 -1,-0.3 0.831 112.0 44.2 -49.2 -41.5 27.2 64.9 40.2 203 19 B Q H X S+ 0 0 8 -4,-1.2 4,-2.3 -3,-0.4 3,-0.5 0.998 113.8 48.2 -67.1 -62.6 27.9 65.8 36.6 204 20 B V H X S+ 0 0 43 -4,-2.6 4,-2.8 1,-0.3 -2,-0.2 0.801 112.5 48.6 -46.0 -44.6 29.6 69.1 37.3 205 21 B R H X S+ 0 0 163 -4,-3.2 4,-1.8 -5,-0.2 -1,-0.3 0.926 112.2 48.7 -66.5 -40.1 31.8 67.6 40.0 206 22 B A H < S+ 0 0 31 -4,-1.6 4,-0.3 -3,-0.5 -2,-0.2 0.815 112.2 50.5 -68.2 -29.8 32.8 64.7 37.7 207 23 B L H >X S+ 0 0 2 -4,-2.3 4,-3.0 1,-0.2 3,-2.5 0.964 105.8 53.8 -70.9 -50.8 33.5 67.3 35.0 208 24 B K H 3< S+ 0 0 111 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.852 90.9 76.9 -51.2 -38.5 35.7 69.4 37.2 209 25 B D T 3< S+ 0 0 148 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.754 118.1 14.2 -44.4 -30.4 37.8 66.3 38.0 210 26 B A T <4 S+ 0 0 61 -3,-2.5 2,-0.8 -4,-0.3 -2,-0.2 0.715 134.8 44.0-113.6 -43.1 39.3 66.8 34.5 211 27 B G < - 0 0 10 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.1 -0.849 63.3-178.0-110.9 98.4 38.3 70.4 33.6 212 28 B V + 0 0 91 -2,-0.8 2,-0.8 -3,-0.1 -1,-0.2 0.832 50.8 100.5 -63.5 -38.1 38.8 72.7 36.6 213 29 B K >> - 0 0 101 1,-0.2 4,-1.6 -26,-0.1 3,-0.7 -0.338 44.9-177.5 -61.4 101.6 37.5 76.0 35.2 214 30 B A T 34 S+ 0 0 75 -2,-0.8 -1,-0.2 1,-0.2 -2,-0.0 0.667 81.3 63.0 -71.1 -19.7 34.0 76.4 36.5 215 31 B N T 34 S+ 0 0 89 1,-0.2 -1,-0.2 3,-0.1 -2,-0.1 0.788 106.6 45.6 -74.6 -28.5 33.6 79.6 34.5 216 32 B R T <4 S+ 0 0 53 -3,-0.7 -2,-0.2 -29,-0.1 -1,-0.2 0.852 93.3 92.9 -79.8 -39.3 34.0 77.6 31.3 217 33 B I < - 0 0 19 -4,-1.6 2,-0.5 -29,-0.1 -27,-0.2 -0.314 61.2-163.0 -57.7 133.0 31.6 74.8 32.5 218 34 B F B -f 190 0B 34 -29,-2.1 -27,-1.5 14,-0.0 2,-0.2 -0.976 7.4-172.7-127.9 117.5 28.1 75.4 31.2 219 35 B T - 0 0 55 -2,-0.5 2,-0.3 -29,-0.2 -27,-0.2 -0.514 2.1-167.3-102.4 173.4 25.1 73.7 32.7 220 36 B D - 0 0 2 -2,-0.2 -27,-1.6 11,-0.1 2,-0.2 -0.989 8.3-178.8-159.0 156.2 21.4 73.4 31.8 221 37 B K + 0 0 109 -2,-0.3 -27,-0.2 -29,-0.2 -26,-0.1 -0.758 59.9 62.3-142.6-175.4 18.1 72.3 33.2 222 38 B A S S- 0 0 65 -28,-1.5 -28,-0.2 -29,-0.4 -1,-0.2 0.955 84.6-135.1 51.5 56.9 14.5 72.2 31.9 223 39 B S + 0 0 14 -30,-0.3 2,-0.1 -3,-0.1 -1,-0.1 -0.043 42.9 145.6 -43.4 134.9 15.5 69.8 29.1 224 40 B G >> - 0 0 7 4,-0.4 4,-1.2 -3,-0.1 3,-0.8 -0.490 41.2-170.2 178.3 110.0 14.0 70.7 25.7 225 41 B S T 34 S+ 0 0 23 1,-0.2 -1,-0.1 2,-0.2 -2,-0.0 0.604 98.1 64.0 -73.2 -12.6 15.1 70.5 22.0 226 42 B S T 34 S- 0 0 110 -3,-0.1 -1,-0.2 3,-0.0 3,-0.1 0.739 135.6 -21.2 -80.5 -26.8 12.0 72.6 21.4 227 43 B S T <4 S+ 0 0 112 -3,-0.8 2,-0.7 1,-0.1 3,-0.3 0.491 105.8 99.1-153.5 -32.7 13.4 75.6 23.4 228 44 B D < + 0 0 25 -4,-1.2 -4,-0.4 1,-0.2 27,-0.2 -0.634 38.7 109.3 -78.4 114.6 16.1 74.8 25.9 229 45 B R > + 0 0 68 -2,-0.7 4,-2.5 -6,-0.1 -1,-0.2 0.282 37.9 115.4-156.6 -9.8 19.6 75.5 24.6 230 46 B K H > S+ 0 0 108 -3,-0.3 4,-1.7 2,-0.2 3,-0.4 0.848 79.8 41.1 -35.5 -70.6 20.7 78.6 26.6 231 47 B G H >> S+ 0 0 5 1,-0.3 4,-1.6 2,-0.2 3,-0.5 0.929 116.4 50.7 -49.3 -50.7 23.6 77.2 28.6 232 48 B L H 3> S+ 0 0 3 1,-0.3 4,-2.9 2,-0.2 -1,-0.3 0.855 105.4 59.9 -55.9 -35.7 24.9 75.3 25.6 233 49 B D H 3X S+ 0 0 55 -4,-2.5 4,-1.9 -3,-0.4 -1,-0.3 0.897 100.8 50.9 -62.0 -43.2 24.6 78.6 23.7 234 50 B L H X S+ 0 0 0 -4,-1.6 4,-2.4 -5,-0.2 3,-0.6 0.958 105.1 55.9 -66.6 -52.6 29.3 77.4 25.3 236 52 B R H 3< S+ 0 0 54 -4,-2.9 3,-0.3 1,-0.2 -2,-0.2 0.924 110.2 42.9 -44.7 -61.9 28.9 77.6 21.5 237 53 B M H 3< S+ 0 0 153 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.738 115.1 49.5 -62.0 -26.9 30.1 81.2 21.2 238 54 B K H << S+ 0 0 63 -4,-1.1 2,-0.6 -3,-0.6 -1,-0.2 0.839 92.6 91.0 -79.8 -34.1 33.0 80.9 23.7 239 55 B V < - 0 0 7 -4,-2.4 2,-0.1 -3,-0.3 3,-0.1 -0.514 54.4-177.8 -74.2 112.1 34.3 77.7 22.0 240 56 B E > - 0 0 123 -2,-0.6 3,-0.7 1,-0.2 -2,-0.0 -0.361 42.4 -65.5 -93.8 179.4 36.9 78.3 19.3 241 57 B E T 3 S+ 0 0 145 1,-0.2 31,-0.2 -2,-0.1 -1,-0.2 -0.265 117.2 35.0 -68.2 155.1 38.6 75.5 17.2 242 58 B G T 3 S+ 0 0 43 29,-2.4 2,-0.2 1,-0.3 -1,-0.2 0.685 90.6 133.6 75.7 18.5 40.9 73.0 18.8 243 59 B D < - 0 0 4 -3,-0.7 30,-2.8 28,-0.4 2,-0.4 -0.654 48.3-140.7-100.1 157.0 38.7 73.0 21.9 244 60 B V E -eg 187 273B 5 -58,-1.2 -56,-2.9 -2,-0.2 2,-0.5 -0.975 6.6-159.7-121.9 127.9 37.4 70.0 23.8 245 61 B I E -eg 188 274B 2 28,-3.0 30,-2.8 -2,-0.4 2,-0.5 -0.916 12.2-152.2-104.0 129.3 33.9 69.8 25.3 246 62 B L E +eg 189 275B 14 -58,-2.7 -56,-2.3 -2,-0.5 2,-0.3 -0.907 17.1 175.6-107.5 124.7 33.6 67.2 28.1 247 63 B V E -eg 190 276B 0 28,-2.3 30,-3.5 -2,-0.5 -56,-0.1 -0.843 30.6-136.1-121.4 159.3 30.2 65.6 28.7 248 64 B K S S- 0 0 39 -58,-0.5 30,-1.6 -2,-0.3 31,-0.6 0.937 80.5 -9.1 -80.8 -49.4 29.4 62.8 31.2 249 65 B K > - 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