==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 21-OCT-86 2DNJ . COMPND 2 MOLECULE: 5'-D(*GP*CP*GP*AP*TP*CP*GP*C)-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR A.LAHM,D.SUCK . 253 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10432.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 20.9 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 . 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 . 24 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 52 20.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 2 1 1 1 0 0 1 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 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 PARALLEL BRIDGES PER LADDER . 3 1 1 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 L 0 0 26 0, 0.0 252,-3.1 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 136.4 59.0 14.9 31.3 2 2 A K E -A 252 0A 58 250,-0.2 31,-2.7 29,-0.1 32,-1.8 -0.926 360.0-177.4-114.6 121.3 59.8 18.3 32.8 3 3 A I E +Ab 251 34A 0 248,-2.7 248,-2.3 -2,-0.5 2,-0.3 -0.970 4.0 176.5-119.3 139.3 57.0 20.9 33.3 4 4 A A E -Ab 250 35A 0 30,-2.1 32,-2.9 -2,-0.4 2,-0.4 -0.966 23.9-148.0-143.0 157.3 57.2 24.4 34.7 5 5 A A E -Ab 249 36A 0 244,-2.4 244,-2.2 -2,-0.3 2,-0.4 -0.998 24.4-175.5-124.7 125.9 55.1 27.5 35.3 6 6 A F E - b 0 37A 0 30,-3.7 32,-2.4 -2,-0.4 2,-0.8 -0.979 21.5-157.8-135.6 118.6 57.0 30.8 35.0 7 7 A N E - b 0 38A 0 -2,-0.4 2,-0.8 240,-0.2 239,-0.5 -0.858 16.2-166.7 -86.9 112.8 55.8 34.3 35.7 8 8 A I E > - 0 0 0 30,-1.8 3,-1.3 -2,-0.8 236,-0.2 -0.939 32.0-113.7-104.6 105.0 58.2 36.5 33.6 9 9 A R E 3 S- 0 0 110 -2,-0.8 3,-0.2 1,-0.3 30,-0.1 -0.192 87.3 -18.5 -43.9 119.6 57.6 40.0 34.9 10 10 A T E 3 S- 0 0 49 1,-0.2 2,-0.4 5,-0.0 5,-0.3 0.902 79.6-157.1 42.7 60.8 56.1 42.0 32.1 11 11 A F E < + b 0 40A 0 28,-1.8 30,-3.5 -3,-1.3 2,-0.3 -0.570 42.3 117.8 -65.4 122.4 57.2 39.6 29.3 12 12 A G S > S- 0 0 8 -2,-0.4 4,-2.4 28,-0.2 5,-0.2 -0.904 77.4 -60.5-167.8-172.0 57.1 41.9 26.3 13 13 A E H > S+ 0 0 93 28,-0.4 4,-1.3 -2,-0.3 5,-0.1 0.863 122.3 56.2 -57.6 -41.5 59.1 43.6 23.4 14 14 A T H 4 S+ 0 0 130 2,-0.2 4,-0.4 1,-0.2 3,-0.3 0.939 112.3 40.0 -58.4 -51.8 61.4 45.5 25.7 15 15 A K H >4 S+ 0 0 25 -5,-0.3 3,-1.4 1,-0.2 7,-0.4 0.928 116.2 50.5 -65.3 -42.2 62.7 42.4 27.6 16 16 A M H 3< S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.688 105.3 58.2 -71.4 -17.7 62.9 40.3 24.4 17 17 A S T 3< S+ 0 0 67 -4,-1.3 2,-0.7 -3,-0.3 -1,-0.3 0.524 85.7 87.0 -87.2 -11.6 64.8 43.0 22.6 18 18 A N <> - 0 0 71 -3,-1.4 4,-3.1 -4,-0.4 5,-0.2 -0.885 69.9-155.3 -91.4 116.2 67.7 42.9 25.2 19 19 A A H > S+ 0 0 67 -2,-0.7 4,-2.0 1,-0.2 -1,-0.1 0.788 91.7 51.1 -63.9 -34.5 70.0 40.2 24.0 20 20 A T H > S+ 0 0 74 2,-0.2 4,-1.4 3,-0.1 -1,-0.2 0.944 114.4 43.7 -66.6 -48.5 71.4 39.4 27.4 21 21 A L H > S+ 0 0 18 2,-0.2 4,-2.2 1,-0.2 3,-0.4 0.936 112.3 52.8 -60.5 -49.7 67.9 39.1 28.9 22 22 A A H X S+ 0 0 0 -4,-3.1 4,-3.0 -7,-0.4 5,-0.2 0.892 105.4 55.4 -53.1 -47.8 66.7 37.0 26.0 23 23 A S H X S+ 0 0 64 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.850 108.5 46.7 -56.2 -43.5 69.6 34.6 26.4 24 24 A Y H X S+ 0 0 45 -4,-1.4 4,-2.3 -3,-0.4 -1,-0.2 0.881 112.1 50.2 -68.8 -37.4 68.7 33.9 30.0 25 25 A I H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 -2,-0.2 0.935 111.6 49.0 -64.1 -46.1 65.0 33.4 29.2 26 26 A V H X S+ 0 0 8 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.906 109.9 51.5 -58.7 -45.4 66.0 31.0 26.4 27 27 A R H X S+ 0 0 128 -4,-2.1 4,-0.5 -5,-0.2 -1,-0.2 0.930 112.9 45.0 -57.0 -49.6 68.3 29.1 28.8 28 28 A I H >< S+ 0 0 1 -4,-2.3 3,-1.7 1,-0.2 4,-0.3 0.973 112.5 50.9 -59.2 -53.4 65.6 28.7 31.4 29 29 A V H >< S+ 0 0 1 -4,-3.0 3,-1.9 1,-0.3 -2,-0.2 0.866 101.1 62.9 -55.2 -41.6 62.9 27.7 28.8 30 30 A R H 3< S+ 0 0 100 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.622 88.2 70.9 -62.5 -15.0 65.2 25.0 27.3 31 31 A R T << S+ 0 0 80 -3,-1.7 2,-0.3 -4,-0.5 -1,-0.3 0.700 95.8 69.8 -69.5 -26.1 65.2 23.1 30.6 32 32 A Y < - 0 0 0 -3,-1.9 -29,-0.2 -4,-0.3 3,-0.2 -0.732 57.8-158.8-109.7 155.6 61.5 22.1 30.0 33 33 A D S S+ 0 0 24 -31,-2.7 52,-2.0 1,-0.4 2,-0.4 0.767 98.0 19.5 -87.6 -37.4 59.3 20.0 27.9 34 34 A I E S+bC 3 84A 0 -32,-1.8 -30,-2.1 50,-0.2 2,-0.4 -0.984 72.8 178.4-136.6 128.9 56.3 22.1 28.8 35 35 A V E -bC 4 83A 1 48,-3.0 48,-2.5 -2,-0.4 2,-0.6 -0.959 18.3-152.4-139.9 123.4 56.4 25.7 30.1 36 36 A L E -bC 5 82A 0 -32,-2.9 -30,-3.7 -2,-0.4 2,-0.5 -0.822 16.0-163.5 -89.0 123.1 53.6 28.0 31.0 37 37 A I E -bC 6 81A 0 44,-3.0 44,-2.6 -2,-0.6 2,-0.3 -0.938 8.5-168.2-111.2 125.5 54.8 31.7 30.7 38 38 A Q E +b 7 0A 0 -32,-2.4 -30,-1.8 -2,-0.5 -27,-0.3 -0.728 59.1 44.2-112.5 163.8 52.6 34.3 32.4 39 39 A E E + 0 0 9 40,-0.3 -28,-1.8 -2,-0.3 2,-0.8 0.807 64.7 168.6 70.7 33.9 52.5 38.1 32.2 40 40 A V E +bC 11 79A 1 39,-1.4 39,-2.4 -3,-0.2 2,-0.7 -0.733 10.4 179.8 -79.5 108.3 52.8 38.1 28.4 41 41 A R + 0 0 111 -30,-3.5 -28,-0.4 -2,-0.8 2,-0.1 -0.837 36.7 122.8-114.3 80.6 52.1 41.8 27.6 42 42 A D > + 0 0 7 -2,-0.7 3,-1.2 -30,-0.2 6,-0.1 -0.655 33.6 179.2-150.3 81.5 52.5 41.4 23.8 43 43 A S T 3 S+ 0 0 76 1,-0.3 -1,-0.1 -2,-0.1 35,-0.0 0.826 88.1 36.4 -60.8 -34.9 49.3 42.5 21.9 44 44 A H T 3 S- 0 0 148 0, 0.0 -1,-0.3 0, 0.0 -2,-0.0 0.288 106.9-120.7-100.3 1.9 50.9 41.8 18.5 45 45 A L S <> S+ 0 0 49 -3,-1.2 4,-1.6 1,-0.1 -2,-0.1 0.728 70.3 132.8 65.0 31.1 52.9 38.7 19.5 46 46 A V H > S+ 0 0 55 2,-0.2 4,-1.9 3,-0.2 5,-0.1 0.868 73.7 46.4 -77.7 -40.0 56.2 40.3 18.5 47 47 A A H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.927 112.9 49.9 -69.7 -43.1 57.9 39.2 21.8 48 48 A V H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.862 109.7 52.6 -60.9 -39.4 56.5 35.7 21.4 49 49 A G H X S+ 0 0 29 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.915 109.2 48.5 -61.9 -47.8 57.8 35.6 17.8 50 50 A K H X S+ 0 0 75 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.841 110.6 51.8 -59.7 -41.0 61.3 36.6 18.9 51 51 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.910 110.3 46.9 -64.6 -46.3 61.4 33.9 21.6 52 52 A L H X S+ 0 0 12 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.874 107.8 57.6 -64.9 -39.8 60.3 31.1 19.3 53 53 A D H < S+ 0 0 121 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.916 109.5 44.7 -56.0 -46.7 62.9 32.2 16.8 54 54 A Y H >< S+ 0 0 85 -4,-1.7 3,-1.2 1,-0.2 -2,-0.2 0.935 115.7 47.1 -62.0 -49.4 65.6 31.8 19.4 55 55 A L H 3< S+ 0 0 2 -4,-2.3 3,-0.2 1,-0.3 -1,-0.2 0.685 116.6 44.3 -65.0 -29.2 64.2 28.5 20.5 56 56 A N T 3< S+ 0 0 30 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.030 75.0 115.1-107.8 25.9 63.9 27.2 16.9 57 57 A Q S < S+ 0 0 119 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.1 0.789 87.6 28.5 -64.7 -32.5 67.2 28.3 15.5 58 58 A D S S+ 0 0 157 1,-0.4 -1,-0.2 -3,-0.2 -2,-0.1 0.636 134.3 22.0-100.7 -30.7 68.6 24.8 14.8 59 59 A D S > S- 0 0 83 -4,-0.1 3,-1.4 1,-0.0 -1,-0.4 -0.958 71.0-141.4-139.0 127.9 65.3 22.8 14.3 60 60 A P T 3 S+ 0 0 94 0, 0.0 3,-0.1 0, 0.0 -4,-0.1 0.592 101.7 45.7 -64.7 -21.1 62.2 24.7 13.2 61 61 A N T 3 S+ 0 0 83 1,-0.1 26,-0.3 -6,-0.1 3,-0.1 -0.062 71.7 116.2-113.5 32.1 60.0 22.5 15.4 62 62 A T S < S+ 0 0 30 -3,-1.4 2,-0.4 1,-0.2 25,-0.3 0.944 90.3 11.7 -63.4 -51.6 62.1 22.5 18.6 63 63 A Y - 0 0 0 -4,-0.2 2,-0.2 22,-0.2 -1,-0.2 -0.971 66.0-175.1-128.5 147.1 59.2 24.2 20.4 64 64 A H E -D 84 0A 69 20,-3.1 20,-2.1 -2,-0.4 2,-0.3 -0.705 16.6-153.5-123.6 175.9 55.6 24.9 19.5 65 65 A Y E -D 83 0A 97 -2,-0.2 2,-0.4 18,-0.2 18,-0.2 -0.985 21.1-151.9-154.9 165.0 53.1 27.0 21.4 66 66 A V E -D 82 0A 35 16,-1.8 16,-3.1 -2,-0.3 2,-0.4 -0.965 24.1-168.8-134.0 133.6 49.5 27.7 22.3 67 67 A V E -D 81 0A 36 -2,-0.4 14,-0.2 14,-0.2 2,-0.1 -0.992 12.2-141.8-131.9 138.3 48.6 31.3 23.3 68 68 A S - 0 0 15 12,-2.4 3,-0.1 -2,-0.4 11,-0.0 -0.331 35.2 -94.6 -82.7 175.3 45.4 32.7 24.9 69 69 A E - 0 0 131 1,-0.1 11,-0.3 -2,-0.1 2,-0.3 -0.427 59.1 -73.3 -82.9 166.0 44.0 36.1 24.0 70 70 A P - 0 0 45 0, 0.0 2,-0.4 0, 0.0 9,-0.2 -0.515 60.5-155.8 -63.4 121.5 44.9 39.2 26.1 71 71 A L B +F 78 0B 24 7,-2.6 7,-1.8 -2,-0.3 2,-0.2 -0.902 36.0 100.2-111.8 138.3 42.9 38.7 29.3 72 72 A G - 0 0 17 -2,-0.4 33,-0.1 5,-0.2 32,-0.1 -0.601 64.3-115.6 155.7 145.1 41.7 41.4 31.8 73 73 A R S S+ 0 0 119 -2,-0.2 2,-0.1 31,-0.1 4,-0.1 0.803 98.9 14.7 -62.3 -39.2 38.6 43.4 32.7 74 74 A N S S- 0 0 133 2,-0.4 0, 0.0 -3,-0.1 0, 0.0 -0.170 115.0 -51.9-116.6-144.9 40.2 46.7 31.8 75 75 A S S S+ 0 0 118 -2,-0.1 2,-0.7 2,-0.0 -2,-0.0 0.618 108.2 86.8 -74.4 -22.6 43.2 48.0 29.8 76 76 A Y + 0 0 86 -6,-0.0 -2,-0.4 2,-0.0 2,-0.4 -0.755 61.7 168.6 -85.3 111.1 45.7 45.9 31.7 77 77 A K - 0 0 82 -2,-0.7 2,-0.3 -4,-0.1 -5,-0.2 -0.968 17.7-174.9-128.7 150.4 45.8 42.6 29.8 78 78 A E B -F 71 0B 3 -7,-1.8 -7,-2.6 -2,-0.4 2,-0.3 -0.982 14.7-141.8-140.0 145.9 48.1 39.5 29.9 79 79 A R E -C 40 0A 18 -39,-2.4 -39,-1.4 -2,-0.3 2,-0.5 -0.759 14.5-130.4-105.0 158.7 48.2 36.4 27.8 80 80 A Y E - 0 0 2 -2,-0.3 -12,-2.4 -11,-0.3 2,-0.4 -0.916 27.4-164.9-102.2 130.1 48.9 32.8 29.0 81 81 A L E -CD 37 67A 0 -44,-2.6 -44,-3.0 -2,-0.5 2,-0.5 -0.995 7.9-163.1-122.7 126.8 51.6 31.2 26.8 82 82 A F E -CD 36 66A 1 -16,-3.1 -16,-1.8 -2,-0.4 2,-0.4 -0.943 5.1-166.8-109.3 122.8 52.3 27.5 26.7 83 83 A L E +CD 35 65A 0 -48,-2.5 -48,-3.0 -2,-0.5 2,-0.3 -0.896 16.0 171.8-105.4 134.6 55.6 26.4 25.1 84 84 A F E -CD 34 64A 13 -20,-2.1 -20,-3.1 -2,-0.4 -50,-0.2 -0.985 37.9-119.4-146.3 151.7 56.0 22.7 24.4 85 85 A R >> - 0 0 55 -52,-2.0 4,-1.8 -2,-0.3 3,-1.8 -0.828 23.8-152.0 -92.5 111.4 58.4 20.3 22.6 86 86 A P T 34 S+ 0 0 33 0, 0.0 -1,-0.1 0, 0.0 -24,-0.1 0.675 91.8 60.0 -63.3 -20.1 56.3 18.6 19.9 87 87 A N T 34 S+ 0 0 102 -25,-0.3 3,-0.1 -26,-0.3 -25,-0.1 0.639 112.6 40.5 -78.6 -19.6 58.4 15.5 19.8 88 88 A K T <4 S+ 0 0 79 -3,-1.8 27,-0.7 1,-0.3 28,-0.6 0.773 126.7 2.8 -97.4 -41.8 57.5 14.9 23.5 89 89 A V E < -G 114 0C 1 -4,-1.8 -1,-0.3 25,-0.2 2,-0.3 -0.945 59.8-146.0-143.0 163.9 53.8 15.9 23.8 90 90 A S E -G 113 0C 60 23,-1.7 23,-2.8 -2,-0.3 2,-0.6 -0.924 22.7-116.7-130.9 156.3 51.0 17.0 21.5 91 91 A V E +G 112 0C 45 -2,-0.3 21,-0.2 21,-0.2 3,-0.1 -0.858 28.2 176.6 -95.8 122.3 48.0 19.4 22.1 92 92 A L E - 0 0 81 19,-2.7 2,-0.3 -2,-0.6 20,-0.2 0.757 66.4 -23.0 -91.8 -37.4 44.7 17.5 21.8 93 93 A D E -G 111 0C 68 18,-1.3 18,-3.7 2,-0.0 -1,-0.4 -0.985 54.0-155.1-169.4 163.1 42.5 20.5 22.7 94 94 A T E -G 110 0C 60 -2,-0.3 2,-0.3 16,-0.2 16,-0.2 -0.968 10.3-173.2-142.2 156.9 42.4 23.8 24.4 95 95 A Y E -G 109 0C 29 14,-2.9 14,-2.4 -2,-0.3 2,-0.7 -0.976 23.0-136.6-159.4 146.9 39.7 25.9 26.0 96 96 A Q E -G 108 0C 72 -2,-0.3 12,-0.2 12,-0.2 2,-0.1 -0.907 25.6-141.0-101.9 107.2 39.2 29.3 27.6 97 97 A Y - 0 0 34 10,-2.3 2,-0.4 -2,-0.7 47,-0.0 -0.503 26.1-173.7 -64.4 136.0 37.2 29.0 30.8 98 98 A D 0 0 132 -2,-0.1 -2,-0.0 1,-0.1 -1,-0.0 -0.971 360.0 360.0-141.8 128.1 34.8 32.0 30.8 99 99 A D 0 0 63 -2,-0.4 -1,-0.1 4,-0.1 3,-0.1 0.282 360.0 360.0-135.0 360.0 32.5 33.0 33.6 100 ! 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 0.0 101 107 A D 0 0 126 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 81.7 33.2 36.7 36.6 102 108 A S + 0 0 38 -3,-0.1 2,-0.4 1,-0.1 38,-0.2 0.673 360.0 54.1 -65.6 -31.0 35.3 34.9 39.1 103 109 A F - 0 0 5 1,-0.1 3,-0.4 37,-0.1 -4,-0.1 -0.939 55.6-154.4-124.1 146.2 38.6 35.8 37.5 104 110 A S S S+ 0 0 22 -2,-0.4 2,-0.5 1,-0.3 -31,-0.1 0.915 108.2 27.1 -72.9 -41.5 40.6 38.8 36.4 105 111 A R S S- 0 0 12 23,-0.2 23,-0.3 -33,-0.1 -1,-0.3 -0.823 94.8-137.1-126.5 85.0 42.5 36.4 33.9 106 112 A E - 0 0 15 -2,-0.5 20,-0.0 -3,-0.4 -8,-0.0 -0.233 34.6 -96.8 -47.2 125.9 40.1 33.6 33.1 107 113 A P - 0 0 0 0, 0.0 -10,-2.3 0, 0.0 2,-0.3 -0.168 28.6-141.8 -53.2 133.3 42.1 30.3 33.1 108 114 A A E -GH 96 126C 7 18,-0.6 18,-2.6 -12,-0.2 2,-0.4 -0.692 18.2-158.1 -94.2 136.8 43.4 28.9 29.9 109 115 A V E -GH 95 125C 1 -14,-2.4 -14,-2.9 -2,-0.3 2,-0.4 -0.994 9.0-171.9-125.4 125.6 43.2 25.0 29.7 110 116 A V E -GH 94 124C 2 14,-2.3 14,-2.1 -2,-0.4 2,-0.5 -0.986 13.2-149.7-122.1 131.6 45.3 22.8 27.5 111 117 A K E -GH 93 123C 31 -18,-3.7 -19,-2.7 -2,-0.4 -18,-1.3 -0.877 23.8-165.8 -98.6 123.3 44.7 19.0 27.0 112 118 A F E -GH 91 122C 0 10,-3.2 10,-2.1 -2,-0.5 2,-0.4 -0.878 18.7-145.8-113.4 150.9 48.0 17.3 26.3 113 119 A S E -GH 90 121C 37 -23,-2.8 -23,-1.7 -2,-0.3 2,-0.4 -0.909 18.6-170.0-110.2 133.7 48.9 13.8 25.0 114 120 A S E > +G 89 0C 1 6,-2.9 3,-0.6 -2,-0.4 -25,-0.2 -0.919 14.4 179.9-136.6 108.9 52.1 12.4 26.5 115 121 A H T 3 S+ 0 0 125 -27,-0.7 -1,-0.1 -2,-0.4 -26,-0.1 0.884 78.7 55.7 -72.4 -41.4 53.7 9.2 25.0 116 122 A S T 3 S+ 0 0 62 -28,-0.6 2,-0.3 4,-0.1 -1,-0.2 0.262 99.3 64.9 -79.5 6.1 56.7 8.9 27.3 117 123 A T S < S- 0 0 2 -3,-0.6 -3,-0.1 2,-0.3 101,-0.1 -0.884 85.1-108.1-130.1 166.8 55.0 8.9 30.8 118 124 A K S S+ 0 0 108 136,-1.7 2,-0.4 -2,-0.3 97,-0.1 0.895 109.7 60.9 -53.5 -53.5 52.6 6.8 32.9 119 125 A V - 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0 0 44 32,-2.5 3,-2.2 -2,-0.3 4,-0.3 -0.684 34.8-108.9 -80.4 121.9 58.7 11.9 40.7 221 227 A P T 3 S+ 0 0 125 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.229 98.6 6.5 -59.4 128.0 59.0 12.3 44.5 222 228 A G T 3 S+ 0 0 84 1,-0.1 -2,-0.0 -33,-0.1 -3,-0.0 0.459 95.9 110.1 76.9 6.9 60.8 15.4 45.5 223 229 A S < + 0 0 23 -3,-2.2 2,-0.5 29,-0.2 27,-0.1 0.657 52.1 95.8 -82.4 -22.4 61.1 16.8 41.9 224 230 A A + 0 0 24 -4,-0.3 27,-0.2 27,-0.1 -2,-0.0 -0.646 53.9 113.2 -78.2 120.5 58.7 19.7 42.6 225 231 A A E -E 250 0A 37 25,-1.9 25,-2.8 -2,-0.5 2,-0.1 -0.965 66.8 -82.5-173.3 164.4 60.4 22.9 43.5 226 232 A P E -E 249 0A 38 0, 0.0 2,-0.7 0, 0.0 23,-0.3 -0.465 40.9-129.8 -73.1 146.9 61.2 26.5 42.5 227 233 A F - 0 0 26 21,-2.9 2,-1.4 -2,-0.1 3,-0.1 -0.921 14.3-150.7-104.7 106.9 64.2 26.8 40.2 228 234 A D > + 0 0 61 -2,-0.7 4,-2.2 1,-0.2 5,-0.1 -0.679 19.1 177.1 -81.5 98.6 66.5 29.5 41.7 229 235 A F H > S+ 0 0 0 -2,-1.4 4,-1.9 2,-0.2 6,-0.3 0.685 75.3 62.6 -75.0 -24.5 68.1 30.8 38.5 230 236 A Q H >>S+ 0 0 46 2,-0.2 5,-2.0 1,-0.2 4,-0.7 0.965 111.7 36.9 -62.9 -53.1 70.1 33.5 40.4 231 237 A A H 45S+ 0 0 72 1,-0.2 3,-0.5 2,-0.2 -2,-0.2 0.875 116.7 53.7 -64.1 -43.4 72.0 30.7 42.3 232 238 A A H <5S+ 0 0 52 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.857 118.8 31.5 -59.2 -45.9 72.2 28.4 39.2 233 239 A Y H <5S- 0 0 40 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.343 105.7-116.3-100.2 4.1 73.7 30.9 36.9 234 240 A G T <5 + 0 0 69 -4,-0.7 -3,-0.2 -3,-0.5 2,-0.2 0.841 57.2 161.7 60.3 46.2 75.8 33.0 39.3 235 241 A L < - 0 0 20 -5,-2.0 -1,-0.2 -6,-0.3 2,-0.1 -0.516 41.2-114.5 -93.5 161.2 73.9 36.2 38.7 236 242 A S > - 0 0 63 -2,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.407 34.9-107.5 -81.2 167.0 73.8 39.3 40.9 237 243 A N H > S+ 0 0 68 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.897 121.9 53.9 -62.8 -40.4 70.4 40.1 42.5 238 244 A E H > S+ 0 0 148 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.934 109.9 45.3 -61.1 -44.1 70.1 43.0 40.0 239 245 A M H > S+ 0 0 50 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.903 113.0 51.5 -65.9 -43.4 70.6 40.8 37.0 240 246 A A H >X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 3,-1.0 0.954 110.3 48.1 -59.8 -46.5 68.2 38.2 38.5 241 247 A L H 3< S+ 0 0 62 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.812 103.3 62.2 -65.7 -29.7 65.5 40.8 39.1 242 248 A A H 3< S+ 0 0 41 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.836 108.9 42.8 -64.2 -33.0 66.0 42.1 35.5 243 249 A I H << S- 0 0 0 -4,-1.2 2,-0.3 -3,-1.0 -2,-0.2 0.953 134.0 -41.6 -74.4 -55.7 64.9 38.6 34.3 244 250 A S < - 0 0 0 -4,-2.3 -1,-0.3 -236,-0.2 -236,-0.1 -0.950 31.6-128.5-169.3 160.6 62.0 38.3 36.8 245 251 A D S S+ 0 0 42 -2,-0.3 -47,-2.1 -3,-0.1 -46,-0.9 0.467 96.8 58.4 -90.1 -7.2 60.8 38.8 40.3 246 252 A H B S-L 197 0D 9 -239,-0.5 -49,-0.3 -49,-0.3 -237,-0.1 -0.916 75.9-134.7-122.7 151.9 59.6 35.2 40.4 247 253 A Y - 0 0 17 -51,-3.2 -240,-0.2 -2,-0.3 -19,-0.1 -0.755 34.1-104.8 -98.4 152.4 61.4 31.9 40.0 248 254 A P - 0 0 0 0, 0.0 -21,-2.9 0, 0.0 2,-0.4 -0.397 28.4-141.0 -67.1 151.8 59.8 29.2 37.8 249 255 A V E -AE 5 226A 0 -244,-2.2 -244,-2.4 -23,-0.3 2,-0.3 -0.961 28.5-175.0-113.0 137.9 58.2 26.3 39.8 250 256 A E E -AE 4 225A 17 -25,-2.8 -25,-1.9 -2,-0.4 2,-0.3 -0.875 18.4-171.9-136.4 163.0 58.8 22.9 38.2 251 257 A V E -A 3 0A 0 -248,-2.3 -248,-2.7 -2,-0.3 2,-0.4 -0.974 17.6-134.7-148.5 154.6 58.0 19.2 38.4 252 258 A T E -A 2 0A 33 -32,-0.3 -32,-2.5 -2,-0.3 2,-0.3 -0.948 15.5-160.8-114.7 136.6 59.1 16.0 36.7 253 259 A L B M 219 0E 1 -252,-3.1 -34,-0.2 -2,-0.4 -35,-0.1 -0.865 360.0 360.0-116.1 148.0 56.8 13.3 35.5 254 260 A T 0 0 94 -36,-2.7 -136,-1.7 -2,-0.3 -135,-0.5 -0.674 360.0 360.0-127.2 360.0 57.7 9.7 34.7