==== 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 TRANSFERASE 23-DEC-91 1GKY . COMPND 2 MOLECULE: GUANYLATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR T.STEHLE,G.E.SCHULZ . 186 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10270.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 5.9 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 1.1 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 . 12 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 37.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.6 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 1 1 1 2 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 3 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 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 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 S 0 0 108 0, 0.0 94,-0.1 0, 0.0 92,-0.1 0.000 360.0 360.0 360.0 22.9 9.2 30.2 63.0 2 2 A R - 0 0 71 183,-0.2 113,-0.1 113,-0.1 112,-0.1 -0.816 360.0-127.4 -85.9 121.6 12.5 28.3 63.5 3 3 A P - 0 0 12 0, 0.0 113,-2.6 0, 0.0 2,-0.5 -0.364 15.9-139.1 -57.7 148.3 14.9 31.1 64.8 4 4 A I E -ab 96 116A 0 91,-2.5 93,-2.6 111,-0.2 2,-0.6 -0.961 9.5-157.1-114.6 122.8 18.2 31.4 62.9 5 5 A V E -ab 97 117A 0 111,-3.0 113,-2.4 -2,-0.5 2,-0.4 -0.918 11.9-167.4 -95.4 121.3 21.3 32.0 65.1 6 6 A I E +ab 98 118A 1 91,-3.1 93,-1.5 -2,-0.6 2,-0.3 -0.938 14.0 165.2-107.9 133.7 24.0 33.6 62.9 7 7 A S E + b 0 119A 1 111,-2.0 113,-2.7 -2,-0.4 93,-0.1 -0.907 8.9 129.4-137.6 172.0 27.6 33.8 64.3 8 8 A G - 0 0 9 91,-0.3 113,-0.1 -2,-0.3 4,-0.1 -0.674 60.2 -66.8 154.5 155.1 31.0 34.5 63.0 9 9 A P > - 0 0 12 0, 0.0 3,-1.0 0, 0.0 5,-0.3 -0.278 54.9-105.4 -61.8 146.7 34.0 36.7 63.8 10 10 A S T 3 S+ 0 0 74 1,-0.2 140,-0.0 2,-0.1 -2,-0.0 -0.516 105.8 52.1 -69.6 148.2 33.6 40.6 63.4 11 11 A G T 3 S+ 0 0 9 -2,-0.1 -1,-0.2 120,-0.1 120,-0.0 0.159 79.2 101.1 105.9 -11.4 35.5 41.8 60.2 12 12 A T S < S- 0 0 1 -3,-1.0 -2,-0.1 108,-0.1 109,-0.0 0.483 99.9-109.2 -85.1 -4.3 33.8 39.2 58.0 13 13 A G S > S+ 0 0 26 3,-0.1 4,-1.7 107,-0.0 3,-0.2 0.679 74.6 142.2 80.6 17.6 31.2 41.7 56.5 14 14 A K H > + 0 0 24 -5,-0.3 4,-1.9 1,-0.2 5,-0.2 0.883 63.7 53.7 -62.8 -35.5 28.6 39.9 58.5 15 15 A S H > S+ 0 0 67 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.875 107.0 53.4 -71.8 -30.8 26.6 43.1 59.5 16 16 A T H > S+ 0 0 61 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.897 104.8 54.1 -69.2 -39.2 26.4 44.0 55.8 17 17 A L H X S+ 0 0 1 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.926 113.7 41.8 -57.6 -45.7 24.9 40.6 54.9 18 18 A L H X S+ 0 0 12 -4,-1.9 4,-2.9 1,-0.2 5,-0.3 0.878 108.7 58.6 -72.9 -34.9 22.2 41.1 57.5 19 19 A K H X S+ 0 0 132 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.936 108.9 46.9 -56.0 -45.5 21.7 44.7 56.5 20 20 A K H X S+ 0 0 51 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.906 110.4 52.6 -61.8 -42.0 20.9 43.5 53.0 21 21 A L H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.952 110.7 45.4 -57.2 -56.1 18.6 40.8 54.3 22 22 A F H < S+ 0 0 52 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.809 112.9 54.0 -64.7 -22.8 16.5 43.2 56.4 23 23 A A H < S+ 0 0 77 -4,-1.5 -2,-0.2 -5,-0.3 -1,-0.2 0.927 115.3 36.7 -74.3 -46.7 16.5 45.6 53.4 24 24 A E H < S+ 0 0 95 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.793 130.7 29.6 -76.5 -33.6 15.1 43.1 50.9 25 25 A Y >X + 0 0 61 -4,-2.6 3,-1.6 -5,-0.3 4,-1.2 -0.317 66.8 153.4-127.1 65.1 12.8 41.3 53.3 26 26 A P T 34 S+ 0 0 67 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.796 78.0 45.8 -65.3 -27.0 11.6 43.9 55.9 27 27 A D T 34 S+ 0 0 138 -3,-0.2 3,-0.1 1,-0.2 -2,-0.1 0.522 108.7 56.6 -97.4 0.9 8.3 42.1 56.6 28 28 A S T <4 S+ 0 0 52 -3,-1.6 66,-2.8 1,-0.2 2,-0.3 0.760 103.7 42.0-100.4 -23.9 9.8 38.6 56.9 29 29 A F E < -c 94 0A 6 -4,-1.2 2,-0.4 64,-0.3 66,-0.2 -0.937 55.1-163.0-130.5 147.9 12.4 38.8 59.6 30 30 A G E -c 95 0A 8 64,-2.3 66,-1.9 -2,-0.3 2,-0.4 -0.967 22.2-128.6-124.7 139.2 12.8 40.4 63.0 31 31 A F E -c 96 0A 66 -2,-0.4 2,-0.5 64,-0.2 66,-0.2 -0.716 16.7-126.9 -92.5 135.7 16.1 41.0 64.7 32 32 A S - 0 0 1 64,-2.6 2,-0.8 -2,-0.4 66,-0.4 -0.691 26.8-145.7 -70.2 118.4 16.6 39.8 68.4 33 33 A V - 0 0 19 -2,-0.5 48,-0.4 48,-0.1 17,-0.2 -0.818 13.8-147.7 -97.9 112.9 17.8 43.0 70.1 34 34 A S E -e 50 0B 12 -2,-0.8 17,-2.6 15,-0.5 2,-0.3 -0.463 8.8-124.1 -71.1 154.9 20.3 42.0 72.7 35 35 A S E +eF 51 79B 4 44,-2.2 44,-2.0 15,-0.2 2,-0.3 -0.785 36.3 173.3 -90.4 146.7 20.7 43.9 76.1 36 36 A T E -eF 52 78B 0 15,-1.7 17,-2.4 -2,-0.3 42,-0.2 -0.978 36.4-146.9-153.0 152.2 24.3 45.1 76.7 37 37 A T + 0 0 20 40,-2.0 18,-0.1 -2,-0.3 41,-0.1 0.380 67.0 109.2 -98.9 -3.4 26.0 47.2 79.3 38 38 A R S S- 0 0 15 39,-0.5 -2,-0.1 1,-0.1 15,-0.1 -0.301 80.0 -92.7 -71.3 167.2 28.6 48.6 76.9 39 39 A T - 0 0 113 1,-0.1 -1,-0.1 13,-0.1 -2,-0.1 -0.535 44.8-106.6 -75.3 136.0 28.5 52.1 75.7 40 40 A P - 0 0 71 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.260 29.9-139.2 -57.5 152.2 26.7 52.9 72.4 41 41 A R > - 0 0 160 1,-0.1 3,-2.2 4,-0.0 2,-0.1 -0.737 36.4 -79.3-113.2 161.2 28.7 53.7 69.3 42 42 A A T 3 S+ 0 0 109 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 -0.404 120.7 27.0 -60.2 124.7 27.9 56.4 66.8 43 43 A G T 3 S+ 0 0 76 1,-0.3 2,-0.3 -2,-0.1 -1,-0.3 0.105 91.3 119.5 107.0 -18.8 25.2 55.0 64.5 44 44 A E < - 0 0 46 -3,-2.2 2,-0.5 4,-0.1 -1,-0.3 -0.614 50.2-150.8 -85.8 132.9 23.6 52.6 67.0 45 45 A V >>> - 0 0 69 -2,-0.3 4,-2.5 -3,-0.1 3,-2.3 -0.912 19.4-124.3-104.0 126.7 19.9 53.1 68.0 46 46 A N B 345S+g 50 0B 94 -2,-0.5 5,-0.3 1,-0.3 0, 0.0 -0.455 103.3 25.3 -63.6 134.8 18.9 52.0 71.5 47 47 A G T 345S+ 0 0 39 3,-2.7 -1,-0.3 -13,-0.2 4,-0.2 0.236 124.8 54.3 87.5 -18.4 16.1 49.6 70.9 48 48 A K T <45S+ 0 0 143 -3,-2.3 -2,-0.2 2,-0.5 3,-0.1 0.694 120.3 18.4-110.4 -57.6 17.2 48.7 67.4 49 49 A D T <5S- 0 0 49 -4,-2.5 -15,-0.5 1,-0.4 2,-0.3 0.920 137.8 -20.0 -78.2 -40.7 20.9 47.6 67.5 50 50 A Y E < -eg 34 46B 53 -5,-0.9 -3,-2.7 -17,-0.2 2,-0.7 -0.931 58.4-117.0-155.8 158.6 20.9 46.9 71.3 51 51 A N E -e 35 0B 54 -17,-2.6 -15,-1.7 -2,-0.3 2,-0.6 -0.987 36.8-148.1-103.1 111.2 18.9 47.8 74.4 52 52 A F E +e 36 0B 40 -2,-0.7 2,-0.3 -17,-0.2 -15,-0.2 -0.777 26.7 172.5 -88.9 116.5 21.6 49.6 76.3 53 53 A V - 0 0 33 -17,-2.4 2,-0.0 -2,-0.6 -2,-0.0 -0.852 33.1-102.3-123.9 158.2 21.0 49.0 80.0 54 54 A S > - 0 0 72 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.333 35.3-108.4 -70.1 168.7 22.9 49.8 83.2 55 55 A V H > S+ 0 0 64 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.912 120.8 54.9 -63.8 -38.0 24.8 47.1 85.1 56 56 A D H > S+ 0 0 122 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.919 110.1 45.5 -65.7 -40.1 22.2 47.2 87.9 57 57 A E H > S+ 0 0 80 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.956 112.5 50.4 -65.6 -42.9 19.4 46.5 85.3 58 58 A F H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.938 111.2 49.6 -64.0 -39.0 21.5 43.7 83.6 59 59 A K H X S+ 0 0 86 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.926 110.6 50.1 -63.0 -35.0 22.1 42.1 87.1 60 60 A S H X S+ 0 0 47 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.903 107.7 53.6 -68.9 -40.4 18.4 42.3 87.8 61 61 A M H <>S+ 0 0 7 -4,-2.8 5,-2.5 2,-0.2 6,-0.4 0.874 108.8 49.5 -59.6 -42.2 17.7 40.7 84.5 62 62 A I H ><5S+ 0 0 43 -4,-2.2 3,-2.0 -5,-0.2 -2,-0.2 0.981 112.4 46.6 -57.9 -57.0 20.0 37.7 85.4 63 63 A K H 3<5S+ 0 0 156 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.814 112.8 50.2 -59.7 -28.3 18.4 37.2 88.8 64 64 A N T 3<5S- 0 0 101 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.250 111.7-118.9 -94.9 14.5 14.9 37.4 87.3 65 65 A N T < 5 + 0 0 134 -3,-2.0 -3,-0.2 1,-0.1 -2,-0.1 0.855 63.1 145.7 54.6 47.1 15.7 34.8 84.6 66 66 A E < + 0 0 70 -5,-2.5 16,-2.3 -6,-0.1 17,-0.4 0.573 44.8 86.0 -88.8 -6.8 15.0 37.2 81.7 67 67 A F E -H 81 0B 24 -6,-0.4 14,-0.3 14,-0.3 3,-0.1 -0.765 56.2-160.7-102.8 144.5 17.7 35.8 79.3 68 68 A I E S- 0 0 30 12,-2.9 2,-0.3 1,-0.4 -1,-0.2 0.807 93.9 -22.3 -73.0 -40.3 17.7 32.9 76.9 69 69 A E E -H 80 0B 17 11,-1.2 11,-1.6 -3,-0.1 -1,-0.4 -0.974 67.2-172.1-163.0 157.8 21.6 33.2 77.3 70 70 A W E +H 79 0B 109 -2,-0.3 2,-0.3 9,-0.2 9,-0.3 -0.985 5.9 175.1-154.4 155.3 24.0 35.9 78.4 71 71 A A E -H 78 0B 7 7,-3.0 7,-2.5 -2,-0.3 2,-0.4 -0.897 27.8-116.7-150.9 173.8 27.8 36.3 78.5 72 72 A Q E -H 77 0B 96 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.956 24.8-177.0-116.5 144.1 30.5 38.8 79.3 73 73 A F E > S-H 76 0B 110 3,-2.3 3,-2.0 -2,-0.4 -2,-0.0 -0.978 73.3 -14.0-142.5 120.8 32.9 40.1 76.7 74 74 A S T 3 S- 0 0 83 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.874 128.1 -53.5 54.5 42.1 35.7 42.5 77.6 75 75 A G T 3 S+ 0 0 59 1,-0.2 2,-0.3 -37,-0.0 -1,-0.3 0.542 118.2 102.5 75.2 8.8 34.1 43.3 81.0 76 76 A N E < - H 0 73B 52 -3,-2.0 -3,-2.3 -38,-0.0 2,-0.3 -0.883 69.1-121.7-117.6 159.6 30.6 44.3 79.6 77 77 A Y E + H 0 72B 45 -2,-0.3 -40,-2.0 -5,-0.2 -39,-0.5 -0.765 27.3 179.6-102.8 149.3 27.5 42.1 79.7 78 78 A Y E +FH 36 71B 41 -7,-2.5 -7,-3.0 -2,-0.3 2,-0.3 -0.984 9.3 161.4-140.7 142.6 25.5 40.9 76.6 79 79 A G E -FH 35 70B 1 -44,-2.0 -44,-2.2 -2,-0.3 2,-0.5 -0.981 36.9-125.6-165.2 153.0 22.4 38.7 76.3 80 80 A S E - H 0 69B 0 -11,-1.6 -12,-2.9 -2,-0.3 -11,-1.2 -0.845 37.3-140.0 -93.4 128.3 19.4 37.6 74.3 81 81 A T E > - H 0 67B 14 -2,-0.5 4,-1.8 -48,-0.4 -14,-0.3 -0.617 16.0-130.9 -96.8 155.2 16.1 38.0 76.2 82 82 A V H > S+ 0 0 71 -16,-2.3 4,-2.6 -2,-0.2 5,-0.2 0.949 109.7 51.8 -58.0 -46.5 13.1 35.8 76.3 83 83 A A H > S+ 0 0 65 -17,-0.4 4,-2.5 1,-0.2 5,-0.2 0.895 105.7 50.6 -68.7 -38.3 10.9 38.8 75.6 84 84 A S H > S+ 0 0 10 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.966 115.4 43.4 -64.8 -43.2 12.7 40.1 72.4 85 85 A V H X S+ 0 0 16 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.963 114.2 50.5 -64.2 -47.6 12.6 36.6 70.8 86 86 A K H X S+ 0 0 122 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.945 108.2 52.5 -55.7 -49.1 9.0 36.0 71.8 87 87 A Q H X S+ 0 0 109 -4,-2.5 4,-1.6 -5,-0.2 -1,-0.2 0.897 110.4 47.5 -57.2 -41.1 7.8 39.4 70.4 88 88 A V H X>S+ 0 0 4 -4,-1.8 5,-1.9 2,-0.2 4,-0.8 0.958 112.9 48.9 -64.9 -45.6 9.4 38.7 66.9 89 89 A S H ><5S+ 0 0 50 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.956 110.7 49.0 -62.1 -47.5 7.9 35.3 66.8 90 90 A K H 3<5S+ 0 0 154 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.783 102.0 63.0 -65.4 -24.6 4.4 36.5 67.7 91 91 A S H 3<5S- 0 0 76 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.758 118.9-117.9 -63.7 -22.0 4.7 39.2 65.1 92 92 A G T <<5S+ 0 0 60 -3,-1.7 2,-0.2 -4,-0.8 -3,-0.2 0.724 73.8 122.5 92.1 19.5 4.9 36.2 62.7 93 93 A K S - 0 0 63 -2,-0.3 4,-2.4 -93,-0.1 5,-0.1 -0.208 46.6 -87.6 -84.3-177.4 29.0 34.8 69.5 101 101 A M H > S+ 0 0 40 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.893 127.4 53.7 -59.8 -41.2 30.2 31.1 69.8 102 102 A Q H > S+ 0 0 101 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.939 110.0 49.2 -57.4 -40.6 29.4 31.0 73.6 103 103 A G H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.938 108.7 52.4 -64.8 -43.3 25.9 32.1 72.8 104 104 A V H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.932 109.5 49.1 -56.6 -50.3 25.7 29.4 70.0 105 105 A K H X S+ 0 0 109 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.888 111.9 50.1 -56.0 -41.9 26.7 26.7 72.6 106 106 A S H < S+ 0 0 47 -4,-2.2 3,-0.5 -5,-0.2 -2,-0.2 0.943 112.2 44.3 -66.3 -44.5 24.1 28.0 75.0 107 107 A V H >< S+ 0 0 3 -4,-2.4 3,-1.8 1,-0.2 8,-0.2 0.820 105.6 63.7 -73.2 -28.4 21.2 28.0 72.5 108 108 A K H 3< S+ 0 0 80 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.891 99.3 55.3 -54.9 -38.0 22.3 24.5 71.3 109 109 A A T 3< S+ 0 0 78 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.349 91.5 76.9 -80.2 6.6 21.6 23.3 74.8 110 110 A I X> + 0 0 38 -3,-1.8 3,-1.5 1,-0.2 4,-0.5 -0.784 57.2 179.2-116.1 86.3 17.9 24.6 74.7 111 111 A P G >4 S+ 0 0 100 0, 0.0 3,-1.5 0, 0.0 -1,-0.2 0.864 73.7 71.4 -56.1 -38.5 16.1 21.9 72.4 112 112 A E G 34 S+ 0 0 156 1,-0.3 -3,-0.0 -3,-0.1 -2,-0.0 0.694 89.2 57.6 -46.9 -35.8 12.9 23.9 72.9 113 113 A L G <4 S- 0 0 42 -3,-1.5 -1,-0.3 -6,-0.2 -5,-0.1 0.839 86.0-155.2 -71.4 -30.6 13.9 26.8 70.7 114 114 A N << - 0 0 97 -3,-1.5 -2,-0.1 -4,-0.5 -6,-0.1 0.861 27.1-177.4 57.7 43.6 14.5 24.5 67.7 115 115 A A - 0 0 12 -5,-0.3 2,-0.3 -8,-0.2 -111,-0.2 -0.261 26.0-134.3 -74.0 160.0 17.0 27.0 66.2 116 116 A R E -b 4 0A 6 -113,-2.6 -111,-3.0 46,-0.0 2,-0.5 -0.829 22.5-140.3-103.7 148.0 18.9 26.8 62.9 117 117 A F E +b 5 0A 14 -2,-0.3 46,-1.5 -113,-0.2 47,-1.4 -0.961 20.8 177.4-125.4 123.8 22.7 27.6 63.0 118 118 A L E -bd 6 164A 0 -113,-2.4 -111,-2.0 -2,-0.5 2,-0.4 -0.995 8.9-164.5-123.0 126.7 24.5 29.6 60.3 119 119 A F E -bd 7 165A 0 45,-2.1 47,-2.7 -2,-0.4 2,-0.6 -0.959 8.0-152.7-112.2 132.8 28.3 30.5 60.7 120 120 A I E - d 0 166A 1 -113,-2.7 47,-0.2 -2,-0.4 -108,-0.1 -0.938 20.1-160.9-109.4 115.4 29.8 33.2 58.4 121 121 A A E - d 0 167A 4 45,-3.4 47,-3.0 -2,-0.6 -113,-0.0 -0.751 16.4-118.2 -94.8 145.4 33.6 32.4 58.0 122 122 A P - 0 0 7 0, 0.0 47,-0.1 0, 0.0 3,-0.1 -0.353 34.9-107.5 -61.7 154.5 36.4 34.8 56.9 123 123 A P S S- 0 0 42 0, 0.0 2,-0.3 0, 0.0 46,-0.1 0.868 95.3 -33.6 -54.4 -38.4 38.3 33.8 53.7 124 124 A S > - 0 0 45 1,-0.0 4,-1.3 0, 0.0 5,-0.1 -0.913 62.7-102.1-171.3 167.5 41.1 32.9 56.1 125 125 A V H > S+ 0 0 28 -2,-0.3 4,-2.2 2,-0.2 5,-0.1 0.815 120.4 58.8 -72.4 -33.6 42.5 34.2 59.4 126 126 A E H > S+ 0 0 116 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.906 106.0 49.6 -59.2 -40.2 45.4 36.0 57.6 127 127 A D H > S+ 0 0 48 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.891 108.7 51.7 -64.8 -39.3 42.7 37.9 55.7 128 128 A L H X S+ 0 0 3 -4,-1.3 4,-2.6 2,-0.2 5,-0.3 0.905 107.7 52.6 -64.8 -41.0 40.9 38.8 58.9 129 129 A K H X S+ 0 0 65 -4,-2.2 4,-3.0 1,-0.2 5,-0.2 0.924 107.3 52.4 -60.1 -46.7 44.1 40.1 60.4 130 130 A K H X S+ 0 0 101 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.911 110.9 46.7 -55.8 -45.3 44.7 42.3 57.3 131 131 A R H X S+ 0 0 106 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.948 113.7 47.6 -65.4 -42.6 41.2 43.9 57.7 132 132 A L H >X S+ 0 0 3 -4,-2.6 4,-0.8 1,-0.2 3,-0.6 0.920 116.3 44.1 -67.6 -39.3 41.6 44.4 61.4 133 133 A E H >< S+ 0 0 107 -4,-3.0 3,-0.9 -5,-0.3 -1,-0.2 0.915 109.1 57.8 -69.5 -37.0 45.0 46.0 60.9 134 134 A G H 3< S+ 0 0 68 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.652 97.4 62.5 -66.1 -23.2 43.7 48.0 58.0 135 135 A R H << S- 0 0 138 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.803 90.5-149.2 -71.5 -31.8 41.0 49.6 60.3 136 136 A G S << S+ 0 0 67 -3,-0.9 -3,-0.1 -4,-0.8 -2,-0.1 0.456 71.1 97.8 80.2 2.0 43.8 51.2 62.5 137 137 A T + 0 0 105 -5,-0.4 2,-0.1 2,-0.1 -4,-0.1 0.691 65.3 70.8 -94.0 -29.8 41.6 51.0 65.6 138 138 A E S S- 0 0 70 -6,-0.5 2,-0.2 -5,-0.1 -2,-0.0 -0.455 72.8-127.4 -93.9 165.7 42.8 47.9 67.3 139 139 A T > - 0 0 68 -2,-0.1 4,-2.5 1,-0.1 5,-0.3 -0.722 30.3-104.7-107.1 164.5 46.0 47.3 69.1 140 140 A E H > S+ 0 0 145 -2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.888 123.7 51.7 -49.9 -38.3 48.5 44.4 68.5 141 141 A E H > S+ 0 0 129 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.927 110.6 42.8 -74.0 -43.6 47.2 42.9 71.7 142 142 A S H > S+ 0 0 29 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.898 112.7 53.1 -73.5 -32.4 43.3 43.0 70.8 143 143 A I H X S+ 0 0 11 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.945 106.7 53.6 -63.5 -42.9 43.8 41.8 67.2 144 144 A N H X S+ 0 0 98 -4,-1.7 4,-1.9 -5,-0.3 -1,-0.2 0.918 110.0 47.5 -59.9 -38.2 45.8 38.8 68.5 145 145 A K H X S+ 0 0 151 -4,-1.5 4,-1.8 1,-0.2 -1,-0.3 0.868 110.3 51.4 -70.2 -37.8 43.0 37.9 70.8 146 146 A R H X S+ 0 0 75 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.873 110.1 49.6 -66.6 -36.2 40.4 38.3 68.0 147 147 A L H X S+ 0 0 15 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.905 109.7 51.1 -70.0 -37.9 42.4 36.0 65.7 148 148 A S H X S+ 0 0 78 -4,-1.9 4,-1.4 -5,-0.2 -1,-0.2 0.832 111.7 48.1 -63.4 -37.4 42.7 33.4 68.5 149 149 A A H X S+ 0 0 49 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.859 110.3 51.1 -71.1 -35.2 38.9 33.6 69.0 150 150 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.934 108.5 52.2 -71.5 -40.5 38.3 33.3 65.2 151 151 A Q H X S+ 0 0 122 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.881 108.7 50.8 -56.9 -37.9 40.6 30.1 65.2 152 152 A A H X S+ 0 0 43 -4,-1.4 4,-2.3 1,-0.2 -1,-0.2 0.918 109.6 50.9 -67.0 -43.0 38.5 28.6 68.0 153 153 A E H X S+ 0 0 21 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.887 108.6 50.3 -61.5 -39.1 35.3 29.3 66.1 154 154 A L H X S+ 0 0 50 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.873 111.1 49.4 -70.9 -33.4 36.6 27.6 62.9 155 155 A A H < S+ 0 0 58 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.917 111.2 49.1 -71.4 -41.5 37.7 24.5 64.9 156 156 A Y H ><>S+ 0 0 42 -4,-2.3 3,-1.5 1,-0.2 5,-0.9 0.854 105.1 58.9 -63.9 -36.0 34.2 24.4 66.5 157 157 A A H ><5S+ 0 0 16 -4,-2.1 3,-2.0 1,-0.3 5,-0.4 0.928 97.6 60.8 -62.8 -36.9 32.6 24.7 63.0 158 158 A E T 3<5S+ 0 0 170 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.463 89.1 70.4 -68.3 -2.4 34.5 21.4 62.0 159 159 A T T < 5S- 0 0 99 -3,-1.5 -1,-0.3 -4,-0.1 -2,-0.2 0.490 117.3-111.9 -81.9 -9.3 32.6 19.5 64.7 160 160 A G T < 5S+ 0 0 59 -3,-2.0 -2,-0.2 -4,-0.2 -3,-0.1 0.724 72.0 143.6 86.0 18.5 29.5 19.9 62.6 161 161 A A < + 0 0 10 -5,-0.9 2,-0.3 -4,-0.2 -4,-0.1 0.742 54.8 63.7 -64.2 -25.7 27.8 22.3 65.1 162 162 A H S S- 0 0 23 -5,-0.4 -44,-0.2 -6,-0.2 3,-0.1 -0.738 74.7-137.8-101.5 154.7 26.3 24.6 62.4 163 163 A D S S+ 0 0 89 -46,-1.5 2,-0.3 -2,-0.3 -45,-0.2 0.827 92.6 9.3 -73.1 -25.1 23.6 23.7 59.9 164 164 A K E -d 118 0A 82 -47,-1.4 -45,-2.1 -3,-0.1 2,-0.4 -0.988 61.3-154.9-157.9 140.0 25.6 25.7 57.2 165 165 A V E -d 119 0A 60 -2,-0.3 2,-0.5 -47,-0.2 -45,-0.2 -0.994 13.5-165.3-116.1 125.6 29.0 27.4 57.0 166 166 A I E -d 120 0A 0 -47,-2.7 -45,-3.4 -2,-0.4 2,-0.7 -0.970 11.2-148.0-111.9 127.2 29.3 30.4 54.5 167 167 A V E -d 121 0A 62 -2,-0.5 2,-1.5 -47,-0.2 3,-0.1 -0.810 13.4-147.8 -90.7 117.9 32.7 31.6 53.5 168 168 A N + 0 0 10 -47,-3.0 3,-0.2 -2,-0.7 -154,-0.0 -0.617 49.8 133.6 -91.8 82.2 32.4 35.4 52.9 169 169 A D S S+ 0 0 82 -2,-1.5 -1,-0.2 1,-0.4 2,-0.2 0.179 79.4 22.2-109.7 12.1 34.9 36.0 50.2 170 170 A D S > S- 0 0 85 -3,-0.1 4,-2.6 1,-0.1 -1,-0.4 -0.611 73.6-139.0-173.6 121.9 32.5 38.1 48.1 171 171 A L H > S+ 0 0 59 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.871 99.7 45.6 -55.1 -48.4 29.4 39.8 49.5 172 172 A D H > S+ 0 0 92 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.913 114.8 48.3 -70.5 -33.9 26.9 39.1 46.7 173 173 A K H > S+ 0 0 94 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.908 113.4 46.1 -66.4 -47.4 27.9 35.5 46.5 174 174 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.865 111.1 54.5 -62.9 -36.6 27.7 35.0 50.3 175 175 A Y H X S+ 0 0 10 -4,-2.5 4,-2.1 -5,-0.3 -2,-0.2 0.909 106.2 50.5 -65.9 -42.1 24.3 36.8 50.2 176 176 A K H X S+ 0 0 124 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.895 113.4 47.7 -61.1 -42.6 22.9 34.4 47.5 177 177 A E H X S+ 0 0 47 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.896 108.3 53.3 -61.2 -42.5 24.1 31.5 49.7 178 178 A L H X S+ 0 0 1 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.934 111.7 45.0 -60.1 -46.4 22.6 33.0 52.8 179 179 A K H X S+ 0 0 41 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.883 110.4 54.5 -69.5 -36.6 19.1 33.3 51.1 180 180 A D H X S+ 0 0 115 -4,-2.1 4,-1.0 2,-0.2 -2,-0.2 0.932 112.7 44.6 -57.1 -48.8 19.4 29.8 49.7 181 181 A F H >< S+ 0 0 21 -4,-2.6 3,-0.7 2,-0.2 4,-0.3 0.981 116.4 44.6 -56.5 -58.7 20.0 28.5 53.2 182 182 A I H >< S+ 0 0 3 -4,-2.6 3,-2.1 1,-0.2 -2,-0.2 0.961 113.4 46.5 -56.6 -55.0 17.3 30.5 54.8 183 183 A F H 3< S+ 0 0 91 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.614 89.0 82.9 -76.1 -5.1 14.4 30.0 52.3 184 184 A A T << S- 0 0 57 -4,-1.0 2,-0.7 -3,-0.7 -1,-0.3 0.690 91.7-147.1 -58.8 -20.0 15.1 26.2 52.2 185 185 A E < 0 0 108 -3,-2.1 -183,-0.2 -4,-0.3 -1,-0.1 -0.043 360.0 360.0 78.4 -31.0 12.9 26.4 55.5 186 186 A K 0 0 184 -2,-0.7 -4,-0.0 -5,-0.1 -70,-0.0 -0.817 360.0 360.0-147.8 360.0 14.6 23.6 57.3