==== 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 22-MAR-05 1Z6G . COMPND 2 MOLECULE: GUANYLATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR A.M.MULICHAK,J.LEW,J.ARTZ,J.CHOE,J.R.WALKER,Y.ZHAO,M.SUNDSTR . 191 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11169.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 5.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 . 17 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 35.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.1 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 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 3 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 . 0 1 0 0 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 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 3 A N 0 0 126 0, 0.0 2,-0.6 0, 0.0 89,-0.0 0.000 360.0 360.0 360.0 119.3 94.1 27.0 62.6 2 4 A I - 0 0 63 92,-0.1 94,-0.3 1,-0.1 92,-0.1 -0.673 360.0-122.9 -79.7 120.7 93.4 23.6 61.2 3 5 A Y - 0 0 118 -2,-0.6 114,-0.1 1,-0.1 113,-0.1 -0.420 29.8-116.1 -64.1 130.2 94.8 23.3 57.7 4 6 A P - 0 0 0 0, 0.0 114,-2.8 0, 0.0 2,-0.5 -0.286 21.4-132.3 -66.4 155.7 92.1 22.4 55.2 5 7 A L E -ab 97 118A 0 91,-3.3 93,-3.2 112,-0.2 2,-0.6 -0.951 18.2-167.0-113.1 123.2 92.3 19.1 53.4 6 8 A V E -ab 98 119A 0 112,-3.1 114,-3.3 -2,-0.5 2,-0.7 -0.940 5.7-169.6-114.2 116.0 91.8 19.1 49.6 7 9 A I E +ab 99 120A 0 91,-2.5 93,-2.0 -2,-0.6 2,-0.3 -0.921 29.2 170.4-100.8 115.6 91.3 15.7 47.8 8 10 A C E +ab 100 121A 0 112,-2.9 114,-3.5 -2,-0.7 93,-0.2 -0.818 17.2 111.1-131.0 170.7 91.6 16.6 44.1 9 11 A G - 0 0 0 91,-1.3 114,-0.1 -2,-0.3 3,-0.1 -0.744 64.9 -57.5 148.4 165.3 91.8 15.2 40.7 10 12 A P S > S- 0 0 0 0, 0.0 3,-1.2 0, 0.0 5,-0.3 -0.210 71.0 -79.7 -66.5 162.1 89.7 15.0 37.5 11 13 A S T 3 S+ 0 0 56 1,-0.2 123,-0.1 2,-0.1 90,-0.0 -0.370 115.2 36.5 -63.4 140.5 86.2 13.4 37.6 12 14 A G T 3 S+ 0 0 24 -3,-0.1 -1,-0.2 121,-0.1 121,-0.1 0.403 80.5 106.3 99.6 -1.9 86.3 9.6 37.5 13 15 A V S < S- 0 0 0 -3,-1.2 -2,-0.1 109,-0.1 157,-0.1 0.519 96.4-100.7 -88.1 -4.6 89.5 9.0 39.6 14 16 A G S > S+ 0 0 20 -5,-0.1 4,-2.2 108,-0.0 5,-0.2 0.627 75.1 140.0 97.7 14.9 87.6 7.7 42.7 15 17 A K H > S+ 0 0 17 -5,-0.3 4,-2.8 1,-0.2 5,-0.2 0.948 73.4 52.2 -53.7 -52.1 87.7 10.9 44.8 16 18 A G H > S+ 0 0 40 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.882 109.0 47.9 -52.6 -46.9 84.1 10.3 46.0 17 19 A T H > S+ 0 0 76 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.936 113.5 47.8 -61.9 -47.5 84.7 6.7 47.1 18 20 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.912 112.1 49.2 -60.4 -44.9 87.9 7.7 49.0 19 21 A I H X S+ 0 0 3 -4,-2.8 4,-2.9 -5,-0.2 5,-0.3 0.894 108.0 53.8 -64.7 -39.3 86.2 10.6 50.7 20 22 A K H X S+ 0 0 139 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.917 109.4 47.8 -62.4 -42.1 83.2 8.6 51.8 21 23 A K H X S+ 0 0 78 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.932 112.9 50.3 -62.2 -43.9 85.4 6.0 53.5 22 24 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.930 112.9 43.9 -60.4 -49.1 87.4 8.8 55.2 23 25 A L H < S+ 0 0 37 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.861 113.4 52.2 -65.2 -36.7 84.3 10.5 56.5 24 26 A N H < S+ 0 0 112 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.884 115.4 41.6 -66.5 -38.6 82.7 7.2 57.6 25 27 A E H < S+ 0 0 80 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.789 128.6 26.7 -80.9 -31.2 85.9 6.3 59.5 26 28 A F S >X S+ 0 0 27 -4,-2.4 3,-1.9 -5,-0.2 4,-0.8 -0.376 71.6 153.5-129.3 55.7 86.7 9.7 61.1 27 29 A P T 34 S+ 0 0 91 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.751 72.2 52.7 -55.9 -29.7 83.2 11.3 61.3 28 30 A N T 34 S+ 0 0 122 1,-0.2 -5,-0.1 -3,-0.1 -2,-0.0 0.492 105.2 55.9 -89.5 0.5 84.0 13.5 64.2 29 31 A Y T <4 S+ 0 0 106 -3,-1.9 66,-2.5 -6,-0.1 2,-0.3 0.684 97.5 64.8-103.3 -19.6 87.1 15.0 62.6 30 32 A F E < -c 95 0A 17 -4,-0.8 2,-0.5 64,-0.2 66,-0.2 -0.775 48.8-162.1-117.2 154.1 85.8 16.5 59.3 31 33 A Y E -c 96 0A 30 64,-2.6 66,-2.6 -2,-0.3 2,-0.6 -0.980 28.6-142.7-123.0 110.7 83.5 19.1 57.9 32 34 A F E -c 97 0A 73 -2,-0.5 66,-0.2 64,-0.2 64,-0.1 -0.667 18.9-123.9 -80.8 118.3 82.7 18.2 54.3 33 35 A S - 0 0 10 64,-2.5 2,-0.5 -2,-0.6 66,-0.2 -0.350 21.1-150.8 -62.8 135.9 82.5 21.3 52.1 34 36 A V - 0 0 16 48,-0.1 48,-0.4 -2,-0.1 17,-0.1 -0.934 11.8-143.8-111.5 130.8 79.2 21.7 50.2 35 37 A S - 0 0 25 15,-0.5 17,-2.5 -2,-0.5 2,-0.3 -0.426 8.6-122.1 -92.0 165.9 79.2 23.5 46.9 36 38 A C E +eF 52 80B 3 44,-3.0 44,-1.8 15,-0.2 2,-0.3 -0.775 30.4 179.8-101.6 149.9 76.7 25.9 45.2 37 39 A T E -eF 53 79B 0 15,-2.2 17,-2.3 -2,-0.3 42,-0.2 -0.994 33.8-150.6-151.3 148.9 75.2 25.1 41.8 38 40 A T + 0 0 20 40,-2.0 18,-0.2 -2,-0.3 41,-0.1 0.494 69.0 111.5 -93.4 -6.8 72.7 26.7 39.5 39 41 A R S S- 0 0 24 39,-0.5 2,-0.2 1,-0.1 -2,-0.1 -0.337 82.4 -98.5 -64.1 148.9 71.8 23.3 38.2 40 42 A K - 0 0 174 1,-0.1 2,-0.2 13,-0.1 -1,-0.1 -0.497 41.0-104.3 -73.3 139.4 68.3 22.3 39.1 41 43 A K - 0 0 86 -2,-0.2 -1,-0.1 -4,-0.1 2,-0.1 -0.420 36.2-135.7 -63.9 127.9 68.0 20.0 42.1 42 44 A R - 0 0 154 -2,-0.2 3,-0.5 1,-0.1 -1,-0.1 -0.292 27.4 -97.1 -78.3 170.9 67.2 16.4 41.1 43 45 A E S S+ 0 0 203 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 0.933 121.9 37.8 -54.7 -56.1 64.6 14.2 42.8 44 46 A K S S+ 0 0 102 2,-0.1 -1,-0.2 0, 0.0 2,-0.1 0.580 95.5 109.2 -75.8 -9.8 66.9 12.3 45.2 45 47 A E - 0 0 22 -3,-0.5 2,-0.5 4,-0.0 -4,-0.0 -0.397 58.5-144.6 -72.9 145.6 69.2 15.4 45.8 46 48 A K >>> - 0 0 137 -2,-0.1 4,-1.9 6,-0.0 3,-1.9 -0.936 16.0-121.0-115.7 125.8 69.1 17.2 49.2 47 49 A E B 345S+h 51 0C 84 -2,-0.5 5,-0.2 1,-0.3 0, 0.0 -0.336 100.4 14.7 -60.7 136.2 69.5 20.9 49.7 48 50 A G T 345S+ 0 0 29 3,-2.4 -1,-0.3 -13,-0.2 4,-0.2 0.370 127.4 60.3 79.9 -8.5 72.5 21.8 51.8 49 51 A V T <45S+ 0 0 93 -3,-1.9 -2,-0.2 2,-0.5 -14,-0.2 0.734 113.8 22.4-112.1 -68.5 73.9 18.2 51.4 50 52 A D T <5S- 0 0 71 -4,-1.9 -15,-0.5 1,-0.3 2,-0.3 0.955 137.3 -37.2 -65.2 -49.4 74.5 17.5 47.7 51 53 A Y B < -h 47 0C 64 -5,-0.8 -3,-2.4 -17,-0.1 2,-0.8 -0.940 57.1 -98.3-160.5 175.7 74.8 21.2 47.0 52 54 A Y E -e 36 0B 40 -17,-2.5 -15,-2.2 -2,-0.3 2,-0.8 -0.952 45.7-146.5-104.5 105.6 73.3 24.6 47.8 53 55 A F E +e 37 0B 32 -2,-0.8 2,-0.2 -17,-0.2 -15,-0.2 -0.698 34.9 151.0 -82.6 111.8 70.9 25.0 44.9 54 56 A I - 0 0 38 -17,-2.3 2,-0.2 -2,-0.8 -2,-0.0 -0.730 38.7-107.1-128.3 177.6 70.7 28.6 43.9 55 57 A D > - 0 0 82 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.565 35.0 -96.0-106.2 173.7 70.0 30.5 40.6 56 58 A K H > S+ 0 0 135 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.850 119.2 56.1 -55.1 -39.7 72.1 32.4 38.2 57 59 A T H > S+ 0 0 96 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.946 111.4 42.3 -61.6 -47.6 71.2 35.8 39.7 58 60 A I H > S+ 0 0 64 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.914 113.6 52.7 -65.5 -41.4 72.4 34.8 43.2 59 61 A F H X S+ 0 0 2 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.898 110.1 48.6 -60.5 -41.1 75.5 33.1 41.8 60 62 A E H X S+ 0 0 125 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.866 108.8 53.1 -67.1 -36.3 76.4 36.2 39.9 61 63 A D H X S+ 0 0 42 -4,-2.0 4,-1.7 -5,-0.2 -2,-0.2 0.894 108.3 51.5 -65.5 -38.8 75.9 38.3 43.0 62 64 A K H <>S+ 0 0 63 -4,-2.3 5,-2.8 2,-0.2 4,-0.4 0.906 110.3 47.0 -63.7 -44.5 78.3 36.0 44.8 63 65 A L H ><5S+ 0 0 60 -4,-2.0 3,-1.5 3,-0.2 -2,-0.2 0.912 106.8 58.9 -63.7 -41.7 81.0 36.4 42.2 64 66 A K H 3<5S+ 0 0 189 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.905 111.3 41.1 -53.3 -42.1 80.4 40.1 42.2 65 67 A N T 3<5S- 0 0 103 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.477 111.5-124.7 -83.8 -3.8 81.3 40.0 45.9 66 68 A E T < 5 + 0 0 57 -3,-1.5 -3,-0.2 -4,-0.4 -2,-0.1 0.903 57.5 153.2 59.9 40.8 84.1 37.5 45.2 67 69 A D < + 0 0 58 -5,-2.8 16,-2.5 -6,-0.1 17,-0.4 0.442 39.1 94.9 -80.6 -0.5 82.6 35.2 47.8 68 70 A F E -G 82 0B 21 -6,-0.3 14,-0.3 14,-0.2 3,-0.2 -0.730 55.8-162.8-100.3 144.3 84.0 32.1 46.1 69 71 A L E S- 0 0 6 12,-3.4 2,-0.3 1,-0.4 42,-0.2 0.784 91.2 -9.6 -82.4 -33.2 87.1 30.1 46.8 70 72 A E E -G 81 0B 10 11,-1.1 11,-2.0 -3,-0.1 -1,-0.4 -0.964 65.1-166.0-162.7 146.9 86.6 28.6 43.3 71 73 A Y E +G 80 0B 120 -2,-0.3 2,-0.3 9,-0.2 9,-0.3 -0.948 10.7 175.0-134.7 157.6 83.9 28.6 40.6 72 74 A D E -G 79 0B 30 7,-3.2 7,-2.9 -2,-0.3 2,-0.4 -0.942 23.1-133.4-154.8 168.6 83.4 26.4 37.5 73 75 A N E +G 78 0B 106 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.999 27.8 166.8-133.0 129.6 81.0 25.8 34.7 74 76 A Y E > -G 77 0B 99 3,-2.5 3,-1.3 -2,-0.4 -2,-0.0 -0.995 65.2 -6.5-145.9 138.5 80.0 22.3 33.6 75 77 A A T 3 S- 0 0 44 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.860 128.7 -54.8 44.0 44.7 77.2 21.0 31.4 76 78 A N T 3 S+ 0 0 160 1,-0.2 2,-0.3 -37,-0.0 -1,-0.3 0.781 118.5 99.3 63.6 32.1 75.8 24.5 31.1 77 79 A N E < - G 0 74B 45 -3,-1.3 -3,-2.5 -38,-0.1 2,-0.4 -0.960 68.5-119.3-141.4 156.3 75.5 25.1 34.8 78 80 A F E - G 0 73B 85 -2,-0.3 -40,-2.0 -5,-0.2 -39,-0.5 -0.795 25.7-175.9-102.7 143.5 77.6 27.0 37.3 79 81 A Y E +FG 37 72B 27 -7,-2.9 -7,-3.2 -2,-0.4 2,-0.3 -0.947 9.6 157.2-133.1 153.7 79.3 25.5 40.4 80 82 A G E -FG 36 71B 0 -44,-1.8 -44,-3.0 -2,-0.3 2,-0.6 -0.894 35.0-127.5-176.4 144.8 81.4 27.1 43.2 81 83 A T E - G 0 70B 1 -11,-2.0 -12,-3.4 -2,-0.3 -11,-1.1 -0.881 31.2-136.3-102.1 122.7 82.6 26.7 46.8 82 84 A L E >> - G 0 68B 17 -2,-0.6 3,-1.7 -48,-0.4 4,-0.5 -0.464 14.9-126.4 -78.2 146.9 81.9 29.6 49.0 83 85 A K H >> S+ 0 0 53 -16,-2.5 4,-1.1 1,-0.3 3,-0.9 0.783 107.7 71.8 -59.5 -26.6 84.5 30.9 51.5 84 86 A S H 3> S+ 0 0 44 -17,-0.4 4,-2.3 1,-0.3 -1,-0.3 0.759 82.8 67.3 -63.2 -26.6 81.8 30.5 54.1 85 87 A E H <> S+ 0 0 0 -3,-1.7 4,-1.6 1,-0.2 -1,-0.3 0.896 101.2 49.3 -59.6 -38.7 82.1 26.7 53.9 86 88 A Y H S+ 0 0 1 -4,-1.6 5,-2.2 2,-0.2 4,-0.2 0.902 112.0 47.2 -65.8 -40.2 84.3 24.2 59.5 90 92 A K H ><5S+ 0 0 103 -4,-1.8 3,-1.5 3,-0.2 -2,-0.2 0.921 107.1 57.0 -65.5 -44.4 86.2 26.6 61.8 91 93 A E H 3<5S+ 0 0 159 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.878 112.9 40.5 -53.8 -41.7 83.0 27.3 63.7 92 94 A Q T 3<5S- 0 0 96 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.405 111.9-123.4 -89.0 1.8 82.7 23.5 64.4 93 95 A N T < 5 + 0 0 128 -3,-1.5 2,-0.3 -4,-0.2 -3,-0.2 0.963 66.5 125.4 53.8 58.9 86.4 23.3 65.0 94 96 A K < - 0 0 50 -5,-2.2 2,-0.4 -92,-0.1 -64,-0.2 -0.938 69.7 -84.1-141.8 164.6 87.0 20.6 62.4 95 97 A I E - c 0 30A 11 -66,-2.5 -64,-2.6 -2,-0.3 2,-0.6 -0.551 42.3-132.4 -71.2 122.1 89.2 19.9 59.4 96 98 A C E - c 0 31A 1 -2,-0.4 -91,-3.3 -94,-0.3 2,-0.6 -0.677 21.8-159.0 -78.1 120.8 87.6 21.4 56.3 97 99 A L E -ac 5 32A 0 -66,-2.6 -64,-2.5 -2,-0.6 2,-0.5 -0.908 6.5-167.7-106.2 116.3 87.6 18.8 53.6 98 100 A F E -a 6 0A 0 -93,-3.2 -91,-2.5 -2,-0.6 2,-0.7 -0.890 10.8-156.8-105.3 129.5 87.3 20.1 50.0 99 101 A E E +a 7 0A 74 -2,-0.5 2,-0.3 -66,-0.2 -91,-0.2 -0.929 33.1 163.2-102.1 116.6 86.6 17.8 47.1 100 102 A M E -a 8 0A 9 -93,-2.0 -91,-1.3 -2,-0.7 2,-0.2 -0.938 37.6-133.4-136.7 158.0 87.9 19.5 43.9 101 103 A N >> - 0 0 43 -2,-0.3 4,-1.9 -93,-0.2 3,-0.7 -0.447 49.2 -92.5 -94.8 176.7 88.9 19.0 40.3 102 104 A I H 3> S+ 0 0 0 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.857 125.6 59.3 -62.3 -35.4 92.2 20.5 39.0 103 105 A N H 3> S+ 0 0 58 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.842 109.3 46.6 -60.3 -32.8 90.5 23.7 37.8 104 106 A G H X> S+ 0 0 0 -3,-0.7 4,-2.0 2,-0.2 3,-0.5 0.900 106.5 56.2 -76.3 -43.1 89.4 24.2 41.4 105 107 A V H 3X S+ 0 0 0 -4,-1.9 4,-2.9 1,-0.2 -2,-0.2 0.881 103.3 53.8 -57.7 -43.0 92.8 23.5 43.0 106 108 A K H 3< S+ 0 0 64 -4,-2.0 4,-0.3 1,-0.2 -1,-0.2 0.814 110.0 48.7 -65.8 -25.8 94.6 26.2 41.0 107 109 A Q H XX S+ 0 0 42 -4,-0.6 4,-1.4 -3,-0.5 3,-0.6 0.842 111.2 49.8 -78.9 -35.1 92.0 28.7 42.2 108 110 A L H 3< S+ 0 0 5 -4,-2.0 3,-0.3 1,-0.2 -2,-0.2 0.925 105.0 57.7 -66.9 -42.8 92.5 27.5 45.8 109 111 A K T 3< S+ 0 0 81 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.637 113.4 39.8 -62.9 -13.8 96.3 27.8 45.5 110 112 A K T <4 S+ 0 0 173 -3,-0.6 -1,-0.3 -4,-0.3 -2,-0.2 0.610 90.3 116.4-106.1 -20.1 95.8 31.5 44.6 111 113 A S < - 0 0 23 -4,-1.4 -42,-0.1 -3,-0.3 -3,-0.0 -0.201 50.4-160.3 -54.5 134.9 93.0 32.1 47.1 112 114 A T S S+ 0 0 132 1,-0.1 -1,-0.1 3,-0.1 -43,-0.0 0.694 85.5 67.2 -88.1 -22.6 93.9 34.6 49.9 113 115 A H S S+ 0 0 64 -44,-0.0 2,-0.3 -5,-0.0 -1,-0.1 0.887 105.2 40.8 -66.0 -41.6 91.1 33.4 52.2 114 116 A I + 0 0 12 -6,-0.2 2,-0.3 -45,-0.1 -111,-0.0 -0.800 67.3 170.7-110.6 153.0 92.8 30.0 52.7 115 117 A K + 0 0 61 -2,-0.3 -3,-0.1 1,-0.1 -6,-0.0 -0.988 55.8 28.1-156.6 154.6 96.4 29.1 53.3 116 118 A N S S+ 0 0 115 -2,-0.3 2,-0.1 1,-0.2 -1,-0.1 0.752 75.5 164.0 65.0 26.3 98.6 26.2 54.3 117 119 A A - 0 0 11 -114,-0.1 2,-0.5 -9,-0.1 -112,-0.2 -0.380 38.6-122.5 -74.3 154.7 96.1 23.7 52.9 118 120 A L E -b 5 0A 24 -114,-2.8 -112,-3.1 -2,-0.1 2,-0.5 -0.876 25.1-156.6 -99.3 125.0 97.1 20.1 52.3 119 121 A Y E -b 6 0A 18 -2,-0.5 46,-1.6 -114,-0.2 47,-1.4 -0.901 9.9-172.7-109.0 124.3 96.6 18.9 48.7 120 122 A I E -bd 7 166A 0 -114,-3.3 -112,-2.9 -2,-0.5 2,-0.6 -0.933 11.3-154.3-117.8 110.5 96.2 15.3 47.8 121 123 A F E -bd 8 167A 16 45,-2.4 47,-2.6 -2,-0.6 2,-0.7 -0.723 2.1-158.8 -87.2 117.6 96.1 14.5 44.0 122 124 A I E - 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0 0 136 -2,-0.2 2,-0.3 2,-0.0 -2,-0.0 -0.901 22.6-170.5-111.1 138.2 102.7 20.8 43.3 164 166 A F - 0 0 36 -2,-0.4 3,-0.2 1,-0.1 -44,-0.2 -0.880 30.6-129.5-123.2 156.6 100.8 18.6 45.7 165 167 A N S S+ 0 0 79 -46,-1.6 2,-0.3 -2,-0.3 -45,-0.2 0.812 97.1 4.5 -74.3 -29.0 101.7 17.3 49.1 166 168 A L E -d 120 0A 42 -47,-1.4 -45,-2.4 2,-0.0 2,-0.4 -0.977 63.9-163.4-155.6 141.9 101.0 13.8 48.0 167 169 A S E -d 121 0A 51 -2,-0.3 2,-0.4 -47,-0.2 -45,-0.2 -0.996 10.5-172.6-129.2 132.7 100.0 12.2 44.7 168 170 A I E -d 122 0A 3 -47,-2.6 -45,-2.6 -2,-0.4 2,-0.9 -0.983 23.1-140.1-132.7 126.4 98.5 8.7 44.5 169 171 A I E -d 123 0A 76 -2,-0.4 2,-2.0 -47,-0.2 3,-0.4 -0.729 25.2-143.2 -80.5 109.4 97.8 6.6 41.4 170 172 A N + 0 0 16 -47,-2.6 3,-0.2 -2,-0.9 -1,-0.1 -0.502 51.9 136.4 -79.1 77.4 94.5 5.0 42.4 171 173 A D S S+ 0 0 113 -2,-2.0 2,-0.5 1,-0.3 -1,-0.2 0.870 75.9 26.4 -85.1 -45.3 94.9 1.6 40.9 172 174 A D S > S- 0 0 68 -3,-0.4 4,-2.4 1,-0.1 -1,-0.3 -0.979 71.0-148.4-125.2 118.8 93.5 -0.3 43.9 173 175 A L H > S+ 0 0 62 -2,-0.5 4,-3.1 1,-0.2 5,-0.3 0.887 96.9 52.1 -49.5 -50.6 91.0 1.4 46.2 174 176 A T H > S+ 0 0 95 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.930 113.1 43.1 -54.5 -51.9 92.2 -0.5 49.3 175 177 A L H > S+ 0 0 87 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.865 114.8 51.0 -64.7 -37.3 95.9 0.4 48.8 176 178 A T H X S+ 0 0 1 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.936 110.7 47.2 -67.0 -46.2 95.0 4.0 47.9 177 179 A Y H X S+ 0 0 16 -4,-3.1 4,-3.6 -5,-0.2 5,-0.2 0.885 110.6 54.1 -62.9 -38.0 92.9 4.5 51.0 178 180 A Q H X S+ 0 0 123 -4,-2.1 4,-2.4 -5,-0.3 -1,-0.2 0.922 111.3 43.1 -62.3 -46.4 95.6 2.9 53.2 179 181 A Q H X S+ 0 0 93 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.925 116.9 49.4 -65.0 -42.6 98.3 5.3 51.9 180 182 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 -5,-0.2 -2,-0.2 0.947 111.5 47.9 -60.4 -51.0 95.8 8.1 52.2 181 183 A K H X S+ 0 0 67 -4,-3.6 4,-2.6 1,-0.2 5,-0.2 0.911 111.0 49.8 -58.4 -46.1 94.8 7.2 55.8 182 184 A N H X S+ 0 0 90 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.921 110.4 51.2 -62.0 -41.1 98.3 6.8 57.0 183 185 A Y H X S+ 0 0 64 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.902 113.6 44.2 -60.3 -43.7 99.3 10.2 55.6 184 186 A L H X>S+ 0 0 4 -4,-2.2 4,-3.1 2,-0.2 5,-1.3 0.827 107.8 57.7 -72.9 -33.0 96.3 11.9 57.3 185 187 A L H <>S+ 0 0 25 -4,-2.6 5,-2.5 1,-0.2 -1,-0.2 0.919 112.2 42.3 -62.4 -41.8 96.9 10.1 60.6 186 188 A N H <5S+ 0 0 107 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.803 119.3 44.4 -73.8 -30.5 100.4 11.6 60.7 187 189 A S H <5S- 0 0 52 -4,-1.5 -2,-0.2 -5,-0.2 -3,-0.2 0.831 136.9 -5.1 -83.1 -36.2 99.2 15.0 59.5 188 190 A Y T <5S+ 0 0 41 -4,-3.1 -3,-0.2 -5,-0.1 -2,-0.1 0.747 123.3 46.7-126.4 -49.2 96.1 15.4 61.7 189 191 A I T