==== 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 TRANSFERASE 16-NOV-07 3BE4 . COMPND 2 MOLECULE: ADENYLATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CRYPTOSPORIDIUM PARVUM IOWA II; . AUTHOR A.K.WERNIMONT,J.LEW,I.KOZIERADZKI,Y.H.LIN,X.SUN,C.KHUU,Y.ZHA . 215 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10911.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 157 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 9 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 39.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.8 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 1 0 2 1 1 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 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 PARALLEL BRIDGES PER LADDER . 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 G > 0 0 17 0, 0.0 3,-2.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -9.9 31.3 15.7 83.4 2 2 A N G > + 0 0 125 1,-0.3 3,-1.7 2,-0.2 28,-0.0 -0.403 360.0 3.5 53.2-116.5 34.1 17.2 85.6 3 3 A S G 3 S+ 0 0 120 1,-0.3 -1,-0.3 -2,-0.3 27,-0.1 0.725 143.1 47.9 -72.1 -11.3 36.0 14.1 86.5 4 4 A K G < S+ 0 0 94 -3,-2.4 -1,-0.3 25,-0.2 -2,-0.2 0.134 81.9 150.9-114.8 20.7 33.7 12.0 84.4 5 5 A K < + 0 0 73 -3,-1.7 2,-0.3 79,-0.1 79,-0.2 -0.261 12.9 166.0 -58.1 132.1 33.8 14.2 81.3 6 6 A H - 0 0 20 77,-0.2 79,-2.0 23,-0.1 2,-0.6 -0.969 32.9-140.4-136.0 157.6 33.4 12.6 77.9 7 7 A N E +a 85 0A 3 -2,-0.3 105,-2.9 77,-0.2 106,-1.5 -0.920 42.0 175.4-117.0 102.9 32.8 14.3 74.5 8 8 A L E -ab 86 113A 0 77,-3.0 79,-2.5 -2,-0.6 2,-0.4 -0.801 29.1-165.7-124.0 141.4 30.3 11.8 73.0 9 9 A I E -ab 87 114A 0 104,-1.5 106,-2.8 -2,-0.3 2,-0.5 -0.995 10.4-157.7-118.4 134.9 28.2 11.4 69.9 10 10 A L E -ab 88 115A 1 77,-2.8 79,-1.1 -2,-0.4 2,-0.4 -0.951 13.7-176.7-101.5 127.5 25.4 8.8 69.7 11 11 A I E + b 0 116A 4 104,-2.7 106,-2.9 -2,-0.5 2,-0.3 -0.976 23.0 123.9-120.8 142.6 24.5 7.9 66.1 12 12 A G E - b 0 117A 6 -2,-0.4 3,-0.1 104,-0.2 106,-0.1 -0.929 61.8 -62.7 177.6 163.4 21.7 5.5 65.4 13 13 A A > - 0 0 2 104,-0.6 3,-2.1 -2,-0.3 5,-0.3 -0.146 67.5 -85.5 -52.2 152.4 18.4 5.1 63.5 14 14 A P T 3 S+ 0 0 10 0, 0.0 -1,-0.2 0, 0.0 114,-0.1 -0.306 122.5 24.2 -52.4 130.3 15.5 7.5 64.4 15 15 A G T 3 S+ 0 0 18 -3,-0.1 -2,-0.1 112,-0.1 112,-0.0 0.546 82.6 127.7 90.8 3.6 13.9 5.6 67.3 16 16 A S S < S- 0 0 2 -3,-2.1 -3,-0.1 1,-0.1 -1,-0.1 0.507 84.4 -97.5 -82.8 -9.1 16.9 3.6 68.4 17 17 A G S > S+ 0 0 23 -4,-0.1 4,-2.4 -5,-0.1 5,-0.2 0.491 78.4 135.5 107.6 17.9 16.8 4.6 72.1 18 18 A K H > S+ 0 0 16 -5,-0.3 4,-2.0 1,-0.2 5,-0.2 0.935 77.1 44.8 -65.8 -44.4 19.5 7.5 72.1 19 19 A G H > S+ 0 0 21 1,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.882 111.4 55.2 -73.5 -33.8 17.4 9.9 74.3 20 20 A T H >> S+ 0 0 46 1,-0.2 3,-0.8 2,-0.2 4,-0.7 0.924 111.5 43.2 -59.0 -48.3 16.5 7.0 76.6 21 21 A Q H >X S+ 0 0 6 -4,-2.4 4,-2.3 1,-0.2 3,-0.5 0.795 104.3 66.3 -67.2 -29.7 20.3 6.2 77.1 22 22 A C H 3X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 5,-0.3 0.758 89.7 66.6 -64.8 -24.6 21.0 10.0 77.5 23 23 A E H -c 88 0A 11 -2,-0.7 4,-2.3 52,-0.2 5,-0.2 -0.966 19.0-160.7 -96.0 113.7 19.4 16.5 71.2 36 36 A T H > S+ 0 0 5 52,-0.9 4,-2.8 -2,-0.7 -1,-0.1 0.824 91.5 57.2 -70.6 -19.1 18.9 18.7 68.2 37 37 A G H > S+ 0 0 15 51,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.952 110.4 42.6 -71.2 -45.0 15.4 17.2 67.8 38 38 A D H > S+ 0 0 55 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.887 113.5 53.1 -66.1 -37.1 14.4 18.3 71.3 39 39 A M H X S+ 0 0 20 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.884 110.9 47.1 -59.7 -43.3 16.2 21.7 70.7 40 40 A L H X S+ 0 0 12 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.932 110.3 50.7 -65.1 -45.3 14.1 22.2 67.6 41 41 A R H X S+ 0 0 63 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.898 112.9 48.3 -60.7 -41.9 10.9 21.2 69.3 42 42 A E H X S+ 0 0 111 -4,-2.8 4,-1.4 2,-0.2 -1,-0.2 0.864 110.9 49.8 -63.3 -36.7 11.9 23.8 72.1 43 43 A A H < S+ 0 0 27 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.896 115.9 44.9 -66.7 -34.7 12.6 26.4 69.4 44 44 A I H >< S+ 0 0 32 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.997 109.8 51.0 -63.6 -66.7 9.2 25.7 67.8 45 45 A K H 3< S+ 0 0 88 -4,-2.7 -2,-0.2 1,-0.4 -3,-0.2 0.684 105.5 57.7 -57.4 -33.0 7.0 25.6 71.1 46 46 A N T 3< 0 0 121 -4,-1.4 -1,-0.4 -5,-0.2 -2,-0.1 0.019 360.0 360.0 -75.3 19.5 8.4 29.0 72.1 47 47 A G < 0 0 86 -3,-1.8 -1,-0.2 2,-0.0 -2,-0.0 0.238 360.0 360.0 50.4 360.0 7.1 30.3 68.7 48 ! 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 49 50 A I 0 0 102 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 70.9 12.4 28.7 63.6 50 51 A G > + 0 0 28 3,-0.1 4,-2.4 -5,-0.0 5,-0.1 0.594 360.0 0.5-121.1-106.9 8.6 28.2 63.7 51 52 A L H > S+ 0 0 157 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.779 126.4 49.0 -84.7 -33.8 6.1 26.8 61.2 52 53 A E H > S+ 0 0 155 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.979 114.5 45.8 -69.0 -49.3 8.3 25.9 58.3 53 54 A A H > S+ 0 0 10 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.896 112.2 56.0 -54.2 -41.2 10.8 24.0 60.6 54 55 A K H X S+ 0 0 69 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.929 108.7 44.4 -57.4 -48.3 7.6 22.4 62.2 55 56 A S H X S+ 0 0 78 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.914 111.6 52.5 -63.9 -44.7 6.4 21.1 58.9 56 57 A I H >X>S+ 0 0 42 -4,-2.4 5,-1.3 2,-0.2 4,-0.8 0.958 112.7 45.8 -54.5 -46.4 9.8 19.8 57.9 57 58 A I H ><5S+ 0 0 18 -4,-2.8 3,-1.2 1,-0.3 -2,-0.2 0.939 112.2 49.4 -63.4 -45.7 10.1 17.9 61.2 58 59 A E H 3<5S+ 0 0 53 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.729 108.1 54.6 -70.9 -12.8 6.6 16.5 61.0 59 60 A S H <<5S- 0 0 42 -4,-1.4 -1,-0.2 -3,-0.6 115,-0.2 0.656 115.7-118.7 -85.4 -17.9 7.3 15.3 57.4 60 61 A G T <<5S+ 0 0 6 -3,-1.2 -3,-0.2 -4,-0.8 118,-0.1 0.374 70.3 131.2 92.6 0.1 10.4 13.4 58.7 61 62 A N < - 0 0 82 -5,-1.3 -1,-0.3 -6,-0.2 2,-0.3 -0.344 62.4 -94.9 -82.6 163.8 12.9 15.4 56.7 62 63 A F - 0 0 43 -3,-0.1 2,-0.1 -2,-0.1 -1,-0.1 -0.545 29.3-130.8 -73.9 140.6 16.0 17.1 57.8 63 64 A V - 0 0 13 -2,-0.3 5,-0.1 1,-0.2 -1,-0.1 -0.474 52.8 -68.1 -78.1 162.4 16.1 20.7 58.7 64 65 A G > - 0 0 26 -2,-0.1 4,-2.0 1,-0.1 3,-0.3 -0.115 37.9-127.3 -52.0 137.5 18.9 22.7 57.1 65 66 A D H > S+ 0 0 44 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.894 109.4 53.4 -51.4 -41.8 22.5 21.9 58.1 66 67 A E H > S+ 0 0 129 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.854 105.1 52.9 -69.6 -35.3 23.1 25.6 58.8 67 68 A I H > S+ 0 0 63 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.942 115.0 40.1 -64.8 -51.7 20.2 25.9 61.2 68 69 A V H X S+ 0 0 8 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.896 112.4 53.9 -70.5 -37.4 21.2 23.0 63.3 69 70 A L H X S+ 0 0 34 -4,-2.9 4,-3.1 -5,-0.3 -1,-0.2 0.919 108.0 54.4 -59.4 -33.5 24.9 23.9 63.2 70 71 A G H X S+ 0 0 41 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.903 109.2 46.5 -62.2 -45.6 23.8 27.4 64.5 71 72 A L H X S+ 0 0 25 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.897 115.8 44.6 -69.9 -39.3 21.9 25.9 67.4 72 73 A V H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.921 112.6 50.8 -70.5 -46.4 24.8 23.5 68.4 73 74 A K H X S+ 0 0 85 -4,-3.1 4,-3.2 -5,-0.2 5,-0.2 0.892 104.9 58.5 -56.3 -39.3 27.5 26.2 68.0 74 75 A E H X S+ 0 0 104 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.920 105.9 49.7 -59.1 -41.1 25.3 28.5 70.2 75 76 A K H <>S+ 0 0 55 -4,-1.5 5,-1.9 1,-0.2 6,-0.5 0.942 113.3 44.9 -64.4 -47.3 25.6 25.8 73.0 76 77 A F H ><5S+ 0 0 17 -4,-2.0 3,-1.5 1,-0.2 5,-0.2 0.944 111.8 52.3 -59.4 -43.3 29.3 25.5 72.7 77 78 A D H 3<5S+ 0 0 104 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.793 106.7 53.3 -67.1 -32.6 29.8 29.3 72.6 78 79 A L T 3<5S- 0 0 123 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.545 117.9-110.4 -75.9 -13.7 27.8 29.8 75.8 79 80 A G T X 5S+ 0 0 35 -3,-1.5 3,-1.0 -4,-0.5 4,-0.3 0.494 78.2 131.8 96.8 6.7 30.0 27.3 77.8 80 81 A V T 3 S+ 0 0 4 -6,-0.5 3,-2.0 -5,-0.2 -1,-0.2 0.350 77.9 99.4-111.3 -1.3 29.7 21.8 76.8 82 83 A V T < S+ 0 0 92 -3,-1.0 -1,-0.2 1,-0.3 -2,-0.1 0.845 85.8 51.6 -60.1 -29.4 32.9 22.5 78.8 83 84 A N T 3 S- 0 0 76 1,-0.3 -1,-0.3 -4,-0.3 -77,-0.2 0.260 129.2 -80.0 -89.6 12.9 32.1 19.8 81.2 84 85 A G < - 0 0 1 -3,-2.0 -52,-2.1 -79,-0.2 -1,-0.3 -0.286 48.7-143.9 108.8 162.5 31.5 17.2 78.5 85 86 A F E -ac 7 32A 0 -79,-2.0 -77,-3.0 -54,-0.3 2,-0.4 -0.994 12.4-143.4-159.4 157.1 28.5 16.5 76.3 86 87 A V E -ac 8 33A 0 -54,-2.8 -52,-2.7 -2,-0.3 2,-0.4 -0.981 19.6-154.4-127.4 116.1 26.5 13.8 74.6 87 88 A L E -ac 9 34A 0 -79,-2.5 -77,-2.8 -2,-0.4 2,-0.5 -0.787 11.5-170.8 -91.2 133.0 25.2 14.7 71.0 88 89 A D E S-ac 10 35A 13 -54,-2.3 -52,-0.9 -2,-0.4 -51,-0.5 -0.959 72.4 -0.3-137.4 111.4 22.1 12.8 70.1 89 90 A G S S+ 0 0 6 -79,-1.1 3,-0.2 -2,-0.5 -1,-0.1 0.764 105.8 127.4 84.9 6.1 20.8 13.0 66.5 90 91 A F + 0 0 1 -80,-0.4 -80,-0.3 1,-0.3 -1,-0.1 -0.880 56.3 30.8-148.7 140.1 23.6 15.4 65.6 91 92 A P + 0 0 3 0, 0.0 -1,-0.3 0, 0.0 -2,-0.2 0.586 68.2 156.2 -65.2 157.8 25.5 15.3 63.5 92 93 A R + 0 0 70 -3,-0.2 2,-0.3 -2,-0.1 94,-0.1 0.362 63.0 43.2-132.2 7.9 23.3 13.5 61.1 93 94 A T S > S- 0 0 4 1,-0.1 4,-1.9 90,-0.1 5,-0.1 -0.948 85.8-111.8-138.9 164.2 24.9 14.5 57.7 94 95 A I H > S+ 0 0 53 88,-0.3 4,-2.5 -2,-0.3 5,-0.2 0.919 117.0 55.6 -64.6 -46.5 28.5 14.8 56.6 95 96 A P H > S+ 0 0 64 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.875 108.8 50.0 -54.9 -32.1 28.4 18.7 56.4 96 97 A Q H > S+ 0 0 5 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.885 109.2 50.3 -71.0 -38.8 27.2 18.7 60.1 97 98 A A H X S+ 0 0 1 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.895 113.9 44.9 -61.4 -45.1 30.1 16.4 61.1 98 99 A E H X S+ 0 0 96 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.851 112.4 52.1 -65.2 -38.8 32.6 18.7 59.3 99 100 A G H X S+ 0 0 12 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.916 110.6 48.6 -66.6 -43.4 30.9 21.7 60.9 100 101 A L H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 5,-0.3 0.909 105.5 56.3 -60.6 -41.5 31.3 20.1 64.3 101 102 A A H X S+ 0 0 51 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.895 109.5 48.8 -57.3 -37.1 35.0 19.3 63.7 102 103 A K H X S+ 0 0 130 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.903 109.7 50.6 -68.3 -42.6 35.5 23.1 63.1 103 104 A I H X S+ 0 0 12 -4,-1.9 4,-0.5 1,-0.2 -2,-0.2 0.950 115.8 41.4 -62.7 -46.6 33.6 24.0 66.2 104 105 A L H >X>S+ 0 0 8 -4,-3.0 5,-1.3 1,-0.2 4,-1.3 0.849 112.3 55.6 -70.8 -34.8 35.7 21.6 68.3 105 106 A S H ><5S+ 0 0 92 -4,-2.2 3,-0.7 -5,-0.3 -2,-0.2 0.951 103.3 56.4 -62.8 -43.1 38.9 22.7 66.4 106 107 A E H 3<5S+ 0 0 141 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.610 114.4 37.4 -67.1 -12.9 38.3 26.3 67.3 107 108 A I H <<5S- 0 0 97 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.495 106.6-122.1-109.6 -7.8 38.2 25.5 71.0 108 109 A G T <<5S+ 0 0 69 -4,-1.3 -3,-0.2 -3,-0.7 2,-0.2 0.627 71.8 125.1 76.2 13.2 40.9 22.9 71.0 109 110 A D < - 0 0 53 -5,-1.3 2,-0.3 -6,-0.2 -1,-0.3 -0.489 42.2-161.5 -93.6 168.4 38.6 20.2 72.5 110 111 A S - 0 0 78 -2,-0.2 2,-0.2 -3,-0.1 -103,-0.1 -0.981 24.9 -87.7-144.1 162.3 38.1 16.8 70.7 111 112 A L - 0 0 31 -2,-0.3 -103,-0.2 1,-0.1 3,-0.1 -0.471 25.0-163.8 -71.0 138.7 35.7 13.9 70.6 112 113 A T - 0 0 62 -105,-2.9 2,-0.3 1,-0.4 -104,-0.2 0.849 66.6 -16.6 -79.6 -52.6 36.1 11.1 73.1 113 114 A S E -b 8 0A 19 -106,-1.5 -104,-1.5 2,-0.0 2,-0.4 -0.989 47.0-147.2-157.3 150.8 33.9 8.4 71.5 114 115 A V E -bd 9 196A 0 81,-2.4 83,-2.8 -2,-0.3 2,-0.5 -0.997 19.6-158.3-124.8 133.8 31.2 7.9 69.0 115 116 A I E -bd 10 197A 0 -106,-2.8 -104,-2.7 -2,-0.4 2,-0.6 -0.942 1.7-155.3-120.4 124.9 28.7 5.1 69.8 116 117 A Y E -bd 11 198A 40 81,-2.9 83,-2.6 -2,-0.5 2,-0.9 -0.828 8.9-145.3-106.0 122.6 26.6 3.6 67.0 117 118 A F E -bd 12 199A 1 -106,-2.9 -104,-0.6 -2,-0.6 2,-0.6 -0.778 15.3-152.5 -89.9 107.6 23.3 2.0 68.1 118 119 A E E + d 0 200A 75 81,-2.9 83,-1.6 -2,-0.9 84,-0.6 -0.727 35.4 136.6 -86.1 127.2 22.8 -1.0 65.8 119 120 A I - 0 0 27 -2,-0.6 -106,-0.2 82,-0.2 2,-0.1 -0.964 46.5-115.0-165.3 146.1 19.1 -1.9 65.3 120 121 A D > - 0 0 65 -2,-0.3 4,-1.9 1,-0.1 3,-0.2 -0.440 26.0-112.8 -93.6 163.3 17.0 -2.8 62.4 121 122 A D H > S+ 0 0 63 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.852 111.3 57.5 -65.2 -32.1 14.1 -0.9 60.8 122 123 A S H > S+ 0 0 98 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.929 109.1 45.5 -67.1 -39.3 11.3 -3.4 61.8 123 124 A E H > S+ 0 0 45 1,-0.2 4,-2.6 -3,-0.2 -1,-0.2 0.873 107.9 58.5 -70.4 -35.1 12.2 -3.1 65.5 124 125 A I H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 5,-0.3 0.885 101.8 55.0 -58.8 -38.3 12.4 0.7 65.2 125 126 A I H X S+ 0 0 81 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.936 110.1 45.8 -62.4 -31.9 8.7 0.7 64.0 126 127 A E H X S+ 0 0 53 -4,-1.2 4,-1.3 1,-0.2 -2,-0.2 0.817 111.8 52.6 -79.7 -36.6 7.8 -1.2 67.1 127 128 A R H < S+ 0 0 48 -4,-2.6 3,-0.4 1,-0.2 4,-0.3 0.961 114.5 40.8 -63.0 -43.0 9.9 1.2 69.3 128 129 A I H >< S+ 0 0 9 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.915 106.9 63.3 -72.5 -37.7 8.2 4.3 67.8 129 130 A S H 3< S+ 0 0 86 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.835 109.1 39.9 -63.4 -27.9 4.7 2.8 67.9 130 131 A G T 3< S+ 0 0 8 -4,-1.3 13,-2.4 -3,-0.4 -1,-0.3 0.405 93.0 119.8 -95.5 3.3 4.7 2.5 71.7 131 132 A R E < +E 142 0B 42 -3,-1.8 2,-0.3 -4,-0.3 11,-0.2 -0.304 31.0 169.8 -77.6 140.7 6.4 5.8 72.4 132 133 A C E -E 141 0B 28 9,-2.1 9,-3.1 31,-0.1 2,-0.4 -0.983 16.1-150.7-141.4 161.5 5.0 8.7 74.4 133 134 A T E -EF 140 162B 15 29,-2.5 29,-2.6 -2,-0.3 7,-0.2 -0.919 22.1-130.9-134.2 138.7 6.8 11.7 75.6 134 135 A H >> - 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0 0 69 0, 0.0 4,-2.2 0, 0.0 3,-1.0 -0.232 51.8-104.8 -56.4 155.6 16.4 -4.4 76.7 205 206 A P H 3> S+ 0 0 47 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.840 118.9 51.2 -58.3 -42.7 17.2 -0.8 77.9 206 207 A K H 3> S+ 0 0 177 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.786 109.7 50.4 -61.9 -34.3 19.2 -1.9 80.9 207 208 A E H <> S+ 0 0 102 -3,-1.0 4,-1.9 2,-0.2 -1,-0.2 0.856 108.7 51.3 -70.1 -31.8 21.4 -4.2 78.8 208 209 A V H X S+ 0 0 6 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.928 107.8 53.5 -67.7 -38.3 22.0 -1.4 76.4 209 210 A T H X S+ 0 0 25 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.911 107.5 51.8 -58.9 -48.7 23.1 0.8 79.3 210 211 A E H X S+ 0 0 110 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.898 108.9 50.0 -60.9 -33.2 25.6 -1.9 80.4 211 212 A Q H X S+ 0 0 33 -4,-1.9 4,-0.8 1,-0.2 -1,-0.2 0.862 110.4 49.8 -70.2 -35.2 27.1 -2.0 77.0 212 213 A I H >X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 3,-0.9 0.919 106.3 54.9 -65.0 -43.8 27.4 1.7 77.0 213 214 A K H 3< S+ 0 0 67 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.825 103.1 58.7 -58.1 -29.7 29.1 1.8 80.4 214 215 A K H 3< S+ 0 0 171 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.820 109.8 42.5 -70.0 -29.2 31.7 -0.7 79.0 215 216 A I H << 0 0 34 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 0.737 360.0 360.0 -86.3 -30.7 32.7 1.7 76.3 216 217 A L < 0 0 53 -4,-1.7 -210,-0.0 -210,-0.0 0, 0.0 -0.345 360.0 360.0 -83.4 360.0 32.7 4.9 78.5