==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 01-SEP-07 2R4U . COMPND 2 MOLECULE: GLYCOGEN SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR F.SHENG,J.GEIGER . 477 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18700.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 354 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 61 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 5.2 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 36 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 147 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 2 1 3 2 1 1 1 1 0 3 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 2 3 4 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 PARALLEL BRIDGES PER LADDER . 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 1 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 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 45 0, 0.0 35,-2.4 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 116.5 34.7 -41.5 -42.1 2 2 A Q E -a 36 0A 62 33,-0.2 129,-2.6 127,-0.1 130,-1.9 -0.963 360.0-176.9-119.8 124.3 32.5 -38.7 -43.4 3 3 A V E -ab 37 132A 0 33,-2.5 35,-2.6 -2,-0.5 2,-0.5 -0.964 12.6-159.5-126.5 134.6 28.8 -39.1 -43.7 4 4 A L E -ab 38 133A 0 128,-2.4 130,-3.4 -2,-0.4 2,-0.4 -0.976 11.6-149.5-114.8 119.9 26.1 -36.8 -45.1 5 5 A H E -ab 39 134A 0 33,-3.1 35,-3.5 -2,-0.5 2,-0.5 -0.765 8.8-160.9 -84.9 133.3 22.5 -37.3 -44.1 6 6 A V E +ab 40 135A 0 128,-2.6 130,-2.3 -2,-0.4 2,-0.3 -0.979 33.7 127.6-120.0 119.0 20.0 -36.3 -46.7 7 7 A C - 0 0 0 33,-1.8 130,-0.1 -2,-0.5 3,-0.0 -0.939 58.6-120.2-164.4 170.5 16.5 -35.7 -45.4 8 8 A S S S+ 0 0 0 -2,-0.3 2,-0.3 128,-0.2 33,-0.1 0.442 84.9 38.0-112.4 -1.5 13.7 -33.2 -45.3 9 9 A E - 0 0 2 10,-0.1 2,-0.2 6,-0.0 6,-0.2 -0.973 49.2-176.6-145.4 165.5 13.2 -32.5 -41.5 10 10 A M B >> -I 14 0B 7 4,-1.9 4,-2.3 -2,-0.3 3,-1.1 -0.768 33.9 -94.9-164.0 116.6 15.1 -32.0 -38.3 11 11 A F T 34 S+ 0 0 31 9,-2.0 4,-0.0 1,-0.3 -2,-0.0 -0.439 102.8 14.4 -64.5 140.3 14.0 -31.5 -34.7 12 12 A P T 34 S+ 0 0 58 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -0.966 127.6 52.2 -91.1 6.3 13.7 -28.8 -33.2 13 13 A L T <4 S- 0 0 21 -3,-1.1 2,-0.3 1,-0.3 -2,-0.2 0.933 126.6 -2.8 -72.6 -46.5 13.8 -26.8 -36.5 14 14 A L B < S+I 10 0B 17 -4,-2.3 -4,-1.9 6,-0.1 2,-0.4 -0.937 71.3 170.2-149.9 125.7 11.1 -28.6 -38.5 15 15 A K + 0 0 36 -2,-0.3 3,-0.1 -3,-0.2 -6,-0.0 -0.986 23.4 156.8-140.9 125.9 9.1 -31.7 -37.4 16 16 A T S S- 0 0 52 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.449 79.5 -28.8-114.8 -9.4 6.1 -33.6 -38.8 17 17 A G S >> S- 0 0 16 282,-0.0 3,-1.3 283,-0.0 4,-0.7 -0.939 95.2 -42.1-178.1-163.5 6.9 -36.9 -37.1 18 18 A G H 3> S+ 0 0 33 -2,-0.3 4,-2.3 1,-0.3 5,-0.2 0.685 114.8 73.4 -60.1 -27.3 9.6 -39.2 -35.8 19 19 A L H 3> S+ 0 0 18 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.904 95.6 53.0 -54.1 -43.8 12.0 -38.6 -38.7 20 20 A A H <> S+ 0 0 0 -3,-1.3 4,-2.3 2,-0.2 -9,-2.0 0.910 106.6 52.1 -58.3 -43.1 12.7 -35.2 -37.3 21 21 A D H X S+ 0 0 12 -4,-0.7 4,-0.8 2,-0.2 -2,-0.2 0.916 110.6 49.0 -59.0 -47.8 13.6 -36.7 -33.9 22 22 A V H >X S+ 0 0 2 -4,-2.3 4,-3.0 1,-0.2 3,-1.1 0.936 113.1 44.9 -53.2 -54.5 16.0 -39.1 -35.5 23 23 A I H 3< S+ 0 0 2 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.815 109.7 57.4 -66.3 -30.2 17.8 -36.4 -37.6 24 24 A G H 3< S+ 0 0 16 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.691 123.5 20.7 -68.9 -19.6 17.9 -34.1 -34.5 25 25 A A H S+ 0 0 1 0, 0.0 4,-1.8 0, 0.0 10,-0.4 0.885 109.0 46.7 -52.8 -42.4 24.3 -37.1 -36.1 28 28 A A H > S+ 0 0 45 -3,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.836 112.0 52.6 -68.2 -32.4 25.6 -35.9 -32.7 29 29 A A H X S+ 0 0 6 -4,-1.5 4,-1.8 -3,-0.3 -1,-0.2 0.873 108.4 50.5 -66.4 -36.8 25.6 -39.6 -31.5 30 30 A Q H <>S+ 0 0 1 -4,-2.3 5,-2.7 2,-0.2 -2,-0.2 0.857 107.8 52.7 -71.7 -35.0 27.7 -40.5 -34.6 31 31 A I H ><5S+ 0 0 74 -4,-1.8 3,-1.3 3,-0.2 -1,-0.2 0.908 108.9 48.9 -66.7 -44.5 30.2 -37.8 -33.9 32 32 A A H 3<5S+ 0 0 63 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.886 111.5 51.9 -58.9 -38.4 30.7 -39.0 -30.3 33 33 A D T 3<5S- 0 0 38 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.354 130.2 -93.7 -87.6 7.0 31.1 -42.5 -31.7 34 34 A G T < 5S+ 0 0 54 -3,-1.3 2,-0.4 1,-0.3 -3,-0.2 0.694 85.2 117.8 99.2 20.7 33.8 -41.4 -34.2 35 35 A V < - 0 0 3 -5,-2.7 2,-1.4 -8,-0.1 -1,-0.3 -0.983 62.6-130.0-121.8 126.8 32.0 -40.5 -37.5 36 36 A D E -a 2 0A 64 -35,-2.4 -33,-2.5 -2,-0.4 2,-0.4 -0.655 38.8-174.9 -77.2 93.0 32.1 -37.0 -39.0 37 37 A A E +a 3 0A 1 -2,-1.4 41,-0.5 -10,-0.4 2,-0.3 -0.765 9.5 176.7 -98.4 131.9 28.3 -36.7 -39.6 38 38 A R E -ac 4 78A 39 -35,-2.6 -33,-3.1 -2,-0.4 2,-0.4 -0.886 19.7-131.5-129.9 161.4 26.8 -33.7 -41.4 39 39 A V E -ac 5 79A 0 39,-2.5 41,-3.6 -2,-0.3 2,-0.5 -0.952 7.4-158.6-121.7 135.4 23.2 -33.0 -42.4 40 40 A L E +ac 6 80A 0 -35,-3.5 -33,-1.8 -2,-0.4 41,-0.2 -0.953 23.7 163.3-110.2 125.0 21.7 -31.8 -45.7 41 41 A L E - c 0 81A 0 39,-2.3 41,-2.3 -2,-0.5 -33,-0.2 -0.970 42.0-106.3-134.1 149.5 18.3 -30.1 -45.6 42 42 A P E - c 0 82A 0 0, 0.0 2,-1.7 0, 0.0 41,-0.2 -0.491 44.3-109.4 -63.3 149.6 16.2 -27.9 -47.9 43 43 A A + 0 0 4 39,-2.5 41,-0.2 -2,-0.1 45,-0.1 -0.433 49.9 171.2 -85.4 62.0 16.1 -24.3 -46.7 44 44 A F >> - 0 0 5 -2,-1.7 4,-2.9 45,-0.1 3,-0.7 -0.401 49.7-102.6 -58.1 149.6 12.5 -24.2 -45.5 45 45 A P H 3> S+ 0 0 46 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.847 120.1 49.6 -50.3 -44.8 11.9 -21.0 -43.6 46 46 A D H 3> S+ 0 0 58 2,-0.2 4,-1.0 1,-0.2 -32,-0.1 0.841 115.0 44.0 -65.3 -36.9 11.9 -22.6 -40.1 47 47 A I H <> S+ 0 0 0 -3,-0.7 4,-1.6 2,-0.2 3,-0.3 0.926 112.7 52.0 -69.3 -48.4 15.2 -24.4 -40.8 48 48 A R H < S+ 0 0 84 -4,-2.9 3,-0.3 1,-0.2 -2,-0.2 0.904 110.4 48.4 -56.8 -44.4 16.8 -21.3 -42.4 49 49 A R H < S+ 0 0 185 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.792 109.1 53.8 -71.8 -25.2 15.9 -19.1 -39.4 50 50 A G H < S+ 0 0 18 -4,-1.0 2,-1.4 -3,-0.3 -1,-0.2 0.808 95.2 68.4 -74.5 -32.1 17.3 -21.7 -36.9 51 51 A V >< + 0 0 0 -4,-1.6 3,-1.2 -3,-0.3 -1,-0.2 -0.631 62.7 168.4 -93.2 81.9 20.8 -22.0 -38.5 52 52 A T T 3 + 0 0 126 -2,-1.4 -1,-0.2 1,-0.3 22,-0.1 0.615 69.0 51.9 -77.3 -16.1 22.0 -18.4 -37.7 53 53 A D T 3 S+ 0 0 70 20,-0.4 -1,-0.3 -3,-0.1 2,-0.1 0.167 77.1 142.9-103.3 16.5 25.7 -18.9 -38.6 54 54 A A < - 0 0 19 -3,-1.2 2,-0.3 -6,-0.2 18,-0.3 -0.380 28.0-171.1 -66.8 130.8 25.0 -20.2 -42.1 55 55 A Q E -D 71 0A 145 16,-2.9 16,-2.4 -2,-0.1 2,-0.3 -0.855 29.8 -91.3-121.6 157.1 27.5 -19.1 -44.8 56 56 A V E +D 70 0A 101 -2,-0.3 14,-0.2 14,-0.2 3,-0.1 -0.493 38.0 168.7 -67.6 125.6 27.7 -19.4 -48.5 57 57 A V E - 0 0 37 12,-3.1 2,-0.3 1,-0.4 13,-0.2 0.786 63.9 -28.9 -99.4 -47.4 29.5 -22.5 -49.8 58 58 A S E -D 69 0A 16 11,-1.2 11,-3.3 67,-0.1 2,-0.4 -0.979 44.6-128.7-165.7 158.5 28.5 -22.3 -53.5 59 59 A R E +D 68 0A 142 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.928 33.3 175.6-105.7 138.3 26.0 -21.2 -56.2 60 60 A R E -D 67 0A 100 7,-2.3 7,-2.6 -2,-0.4 2,-0.3 -0.990 28.4-131.6-140.4 151.6 24.9 -23.8 -58.8 61 61 A D + 0 0 105 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.736 34.8 176.7 -92.9 155.4 22.4 -24.1 -61.7 62 62 A T > - 0 0 12 -2,-0.3 3,-2.3 1,-0.0 50,-0.0 -0.943 49.5 -95.5-153.7 159.7 20.3 -27.1 -61.7 63 63 A F T 3 S+ 0 0 38 -2,-0.3 3,-0.1 1,-0.3 115,-0.1 0.687 130.5 45.4 -52.4 -21.4 17.4 -28.8 -63.6 64 64 A A T 3 S- 0 0 9 1,-0.4 -1,-0.3 44,-0.1 2,-0.2 0.280 125.9 -99.0-107.8 9.1 15.2 -27.2 -61.0 65 65 A G < - 0 0 21 -3,-2.3 -1,-0.4 2,-0.0 2,-0.1 -0.510 65.8 -16.7 100.8-172.8 16.9 -23.8 -61.1 66 66 A H - 0 0 93 -5,-0.2 2,-0.4 -2,-0.2 -5,-0.2 -0.365 51.7-168.1 -76.0 144.3 19.6 -22.1 -59.0 67 67 A I E -D 60 0A 0 -7,-2.6 -7,-2.3 -2,-0.1 2,-0.6 -0.958 16.2-152.4-119.7 144.3 20.7 -23.1 -55.5 68 68 A T E -DE 59 83A 23 15,-2.7 15,-2.8 -2,-0.4 2,-0.6 -0.991 22.2-146.2-102.1 117.7 22.8 -21.3 -53.0 69 69 A L E -DE 58 82A 0 -11,-3.3 -12,-3.1 -2,-0.6 -11,-1.2 -0.785 20.4-169.2 -79.4 120.2 24.4 -24.1 -50.8 70 70 A L E -DE 56 81A 10 11,-2.8 11,-2.1 -2,-0.6 2,-0.4 -0.808 8.5-162.2-106.5 155.5 24.7 -22.8 -47.3 71 71 A F E +DE 55 80A 36 -16,-2.4 -16,-2.9 -2,-0.3 9,-0.2 -0.987 26.6 130.2-136.8 128.4 26.7 -24.4 -44.4 72 72 A G E - E 0 79A 1 7,-2.7 7,-3.1 -2,-0.4 2,-0.3 -0.761 44.9 -93.4-147.5-155.9 26.3 -23.6 -40.7 73 73 A H E - E 0 78A 88 5,-0.3 -20,-0.4 -2,-0.2 2,-0.3 -0.943 19.9-174.7-133.0 147.4 25.8 -25.4 -37.3 74 74 A Y E > S- E 0 77A 61 3,-2.3 3,-2.0 -2,-0.3 -23,-0.1 -0.929 82.0 -15.5-140.9 122.9 23.0 -26.4 -35.1 75 75 A N T 3 S- 0 0 107 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.876 129.6 -53.7 53.8 40.4 23.6 -27.9 -31.7 76 76 A G T 3 S+ 0 0 68 1,-0.2 2,-0.4 -48,-0.0 -1,-0.3 0.331 113.9 116.1 77.2 -8.0 27.2 -28.5 -32.7 77 77 A V E < S- E 0 74A 11 -3,-2.0 -3,-2.3 -39,-0.0 2,-0.3 -0.784 70.4-113.8 -98.5 139.3 26.4 -30.4 -35.9 78 78 A G E -cE 38 73A 7 -41,-0.5 -39,-2.5 -2,-0.4 2,-0.5 -0.559 35.2-167.8 -68.4 125.2 27.3 -29.2 -39.4 79 79 A I E -cE 39 72A 0 -7,-3.1 -7,-2.7 -2,-0.3 2,-0.4 -0.975 9.7-159.3-124.7 118.8 24.1 -28.4 -41.4 80 80 A Y E -cE 40 71A 0 -41,-3.6 -39,-2.3 -2,-0.5 2,-0.4 -0.795 11.5-160.3 -92.6 140.8 24.0 -27.7 -45.1 81 81 A L E -cE 41 70A 0 -11,-2.1 -11,-2.8 -2,-0.4 2,-1.1 -0.984 15.6-142.4-125.0 130.0 21.0 -25.9 -46.5 82 82 A I E -cE 42 69A 0 -41,-2.3 -39,-2.5 -2,-0.4 2,-0.9 -0.793 21.1-162.4 -87.8 96.2 19.7 -25.8 -50.0 83 83 A D E + E 0 68A 42 -15,-2.8 -15,-2.7 -2,-1.1 -39,-0.1 -0.776 34.1 141.1 -83.7 108.4 18.6 -22.2 -50.4 84 84 A A >> - 0 0 0 -2,-0.9 3,-2.4 -17,-0.2 4,-2.3 -0.661 25.8-174.7-143.2 80.3 16.3 -22.1 -53.4 85 85 A P H 3> S+ 0 0 68 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.807 80.5 63.8 -53.0 -36.3 13.5 -19.7 -52.4 86 86 A H H 34 S+ 0 0 99 1,-0.2 -21,-0.0 -20,-0.2 0, 0.0 0.748 119.4 26.4 -59.9 -23.4 11.5 -20.4 -55.6 87 87 A L H <4 S+ 0 0 5 -3,-2.4 -1,-0.2 22,-0.1 22,-0.1 0.780 135.3 22.9-103.5 -37.3 11.2 -24.0 -54.4 88 88 A Y H < S+ 0 0 1 -4,-2.3 2,-2.1 1,-0.1 -2,-0.1 0.608 88.6 93.1-116.7 -18.8 11.4 -24.0 -50.6 89 89 A D < + 0 0 104 -4,-1.4 -1,-0.1 -5,-0.4 -45,-0.1 -0.457 60.1 122.6 -83.2 70.5 10.5 -20.6 -49.2 90 90 A R - 0 0 50 -2,-2.1 -3,-0.0 2,-0.1 -4,-0.0 -0.959 61.9-107.4-129.1 146.9 6.8 -21.4 -48.6 91 91 A P S S- 0 0 113 0, 0.0 2,-0.3 0, 0.0 7,-0.0 -0.264 75.4 -0.5 -73.3 159.4 4.8 -21.2 -45.4 92 92 A G S S+ 0 0 67 3,-0.0 5,-0.1 2,-0.0 -2,-0.1 -0.467 110.3 28.2 78.4-129.8 3.5 -24.2 -43.3 93 93 A S - 0 0 28 3,-0.3 5,-0.0 -2,-0.3 -3,-0.0 -0.405 58.8-142.8 -72.9 142.8 4.2 -27.8 -44.3 94 94 A P S S+ 0 0 4 0, 0.0 -1,-0.1 0, 0.0 9,-0.1 0.709 101.0 43.9 -69.7 -20.1 7.2 -28.8 -46.4 95 95 A Y S S+ 0 0 34 1,-0.1 8,-1.1 7,-0.1 2,-0.3 0.711 118.7 12.5-102.3 -27.0 5.1 -31.3 -48.3 96 96 A H B S-J 102 0C 62 6,-0.3 -3,-0.3 1,-0.0 6,-0.3 -0.943 71.5-102.9-149.7 164.2 1.8 -29.6 -49.1 97 97 A D > - 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0 0 0 -5,-3.2 -22,-0.3 -6,-0.2 -1,-0.2 -0.927 61.2-122.2-107.5 107.6 3.8 -44.5 -18.8 392 392 A L E -p 369 0E 0 -24,-1.8 -22,-2.2 -2,-0.7 2,-0.3 -0.230 20.2-130.4 -65.3 126.5 3.2 -48.0 -19.8 393 393 A P E -p 370 0E 0 0, 0.0 28,-2.8 0, 0.0 2,-0.6 -0.602 12.9-160.8 -76.8 136.0 2.9 -48.6 -23.6 394 394 A L E +pq 371 421E 0 -24,-2.8 -22,-3.3 -2,-0.3 2,-0.3 -0.957 32.1 163.7-113.8 110.9 -0.1 -50.5 -24.9 395 395 A V E -pq 372 422E 0 26,-3.0 28,-2.3 -2,-0.6 2,-0.3 -0.848 43.6-114.0-133.7 155.7 0.9 -51.7 -28.3 396 396 A R E - q 0 423E 32 -24,-1.3 2,-2.2 -2,-0.3 28,-0.2 -0.737 44.4-110.5 -82.5 140.6 0.2 -54.1 -31.2 397 397 A R S S+ 0 0 138 26,-2.5 2,-0.3 -2,-0.3 -1,-0.1 -0.476 77.9 114.4 -75.9 78.6 3.0 -56.6 -31.8 398 398 A T S >> S- 0 0 1 -2,-2.2 3,-1.3 -21,-0.0 4,-0.6 -0.993 70.8 -26.7-148.1 144.7 4.2 -55.2 -35.1 399 399 A G H >> S- 0 0 0 -2,-0.3 3,-0.8 1,-0.3 4,-0.8 -0.127 125.7 -8.1 56.4-138.1 7.3 -53.5 -36.4 400 400 A G H 3> S+ 0 0 0 -23,-2.6 4,-0.9 1,-0.2 -1,-0.3 0.721 130.7 66.3 -64.5 -23.6 9.4 -51.6 -33.8 401 401 A L H <> S+ 0 0 1 -3,-1.3 4,-1.7 -24,-0.5 3,-0.5 0.879 99.6 52.2 -62.3 -36.9 6.7 -52.1 -31.2 402 402 A A H << S+ 0 0 33 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.2 0.756 111.2 48.1 -68.3 -28.5 7.4 -55.9 -31.3 403 403 A D H < S+ 0 0 54 -4,-0.8 -1,-0.2 -5,-0.2 -2,-0.2 0.636 120.2 32.9 -83.5 -18.4 11.1 -55.1 -30.7 404 404 A T H < S+ 0 0 8 -4,-0.9 2,-0.4 -3,-0.5 -2,-0.2 0.638 101.3 67.9-122.2 -19.4 10.8 -52.8 -27.8 405 405 A V < - 0 0 12 -4,-1.7 2,-0.5 -5,-0.1 -1,-0.1 -0.909 56.8-157.2-112.8 132.9 7.8 -53.7 -25.5 406 406 A S - 0 0 41 -2,-0.4 13,-2.9 11,-0.2 14,-1.9 -0.956 24.3-122.0-109.9 123.6 7.5 -56.8 -23.4 407 407 A D B -r 420 0F 37 -2,-0.5 2,-1.8 11,-0.2 14,-0.2 -0.148 22.1-110.2 -60.6 150.3 4.0 -58.0 -22.4 408 408 A C + 0 0 14 12,-0.9 -1,-0.1 10,-0.1 2,-0.1 -0.367 66.7 146.7 -75.4 54.1 2.9 -58.3 -18.8 409 409 A S > - 0 0 22 -2,-1.8 4,-2.5 1,-0.1 5,-0.2 -0.433 65.1-102.4 -85.0 167.0 2.7 -62.1 -19.2 410 410 A L H > S+ 0 0 149 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.918 121.3 46.1 -53.4 -50.7 3.5 -64.5 -16.3 411 411 A E H > S+ 0 0 112 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.896 113.6 48.2 -60.9 -46.2 7.0 -65.3 -17.7 412 412 A N H 4>S+ 0 0 32 2,-0.2 5,-3.1 1,-0.2 6,-1.5 0.875 113.6 46.7 -66.9 -37.3 7.9 -61.7 -18.3 413 413 A L H ><5S+ 0 0 32 -4,-2.5 3,-0.7 4,-0.2 -2,-0.2 0.924 115.3 47.0 -66.2 -43.0 6.8 -60.7 -14.9 414 414 A A H 3<5S+ 0 0 83 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.849 113.3 47.8 -67.4 -37.2 8.7 -63.6 -13.3 415 415 A D T 3<5S- 0 0 125 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.498 112.8-120.2 -81.2 -3.9 11.8 -62.8 -15.3 416 416 A G T < 5S+ 0 0 21 -3,-0.7 -3,-0.2 -4,-0.4 -2,-0.1 0.813 85.7 109.7 70.6 34.3 11.5 -59.1 -14.4 417 417 A V < + 0 0 58 -5,-3.1 -4,-0.2 -6,-0.2 -11,-0.2 0.565 34.9 118.1-120.7 -17.3 11.3 -58.2 -18.1 418 418 A A + 0 0 2 -6,-1.5 -11,-0.2 -9,-0.2 36,-0.2 -0.289 23.2 158.4 -56.2 134.4 7.6 -57.0 -18.4 419 419 A S - 0 0 0 -13,-2.9 2,-0.3 1,-0.2 -12,-0.2 0.387 57.6 -22.8-141.5 -3.6 7.3 -53.3 -19.5 420 420 A G B S-r 407 0F 0 -14,-1.9 -12,-0.9 -28,-0.2 2,-0.4 -0.914 75.3 -60.3-177.6-153.5 3.8 -52.9 -21.0 421 421 A F E -q 394 0E 0 -28,-2.8 -26,-3.0 -2,-0.3 2,-0.4 -0.975 37.7-167.8-128.4 128.4 0.8 -54.4 -22.8 422 422 A V E -q 395 0E 14 -2,-0.4 2,-0.3 -28,-0.2 -26,-0.2 -0.958 5.9-179.2-123.6 127.8 0.8 -56.3 -26.1 423 423 A F E -q 396 0E 5 -28,-2.3 -26,-2.5 -2,-0.4 8,-0.1 -0.855 15.5-149.8-117.9 162.3 -2.1 -57.4 -28.3 424 424 A E + 0 0 78 -2,-0.3 2,-0.3 -28,-0.2 -1,-0.1 0.896 64.3 56.0 -98.6 -48.4 -1.9 -59.3 -31.7 425 425 A D S S- 0 0 93 2,-0.1 2,-2.6 1,-0.1 6,-0.2 -0.706 76.1-117.6-105.3 143.2 -4.7 -58.5 -34.1 426 426 A S S S+ 0 0 49 -2,-0.3 2,-0.3 4,-0.1 -1,-0.1 -0.369 78.7 101.1 -73.0 63.8 -5.9 -55.2 -35.6 427 427 A N S > S- 0 0 64 -2,-2.6 4,-2.2 1,-0.1 5,-0.2 -0.985 79.6-116.3-143.6 157.5 -9.4 -55.3 -34.1 428 428 A A H > S+ 0 0 10 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.746 112.2 56.4 -61.0 -31.7 -11.1 -53.7 -31.1 429 429 A W H > S+ 0 0 177 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.943 109.2 45.7 -65.8 -48.2 -11.7 -57.0 -29.3 430 430 A S H > S+ 0 0 10 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.907 115.0 48.8 -60.0 -44.5 -8.0 -57.8 -29.3 431 431 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 3,-0.3 0.918 107.8 54.8 -56.9 -48.3 -7.2 -54.2 -28.2 432 432 A L H X S+ 0 0 47 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.793 101.8 58.0 -62.6 -29.2 -9.8 -54.5 -25.4 433 433 A R H X S+ 0 0 130 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.920 107.8 45.8 -64.6 -42.2 -8.2 -57.6 -24.0 434 434 A A H X S+ 0 0 0 -4,-1.3 4,-1.7 -3,-0.3 -2,-0.2 0.864 111.4 53.6 -66.0 -38.1 -4.9 -55.6 -23.6 435 435 A I H X S+ 0 0 2 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.918 108.2 49.2 -60.5 -44.1 -6.9 -52.8 -22.1 436 436 A R H X S+ 0 0 113 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.905 107.2 55.7 -61.4 -43.7 -8.4 -55.3 -19.6 437 437 A R H X S+ 0 0 73 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.866 106.3 51.6 -53.7 -40.7 -4.9 -56.6 -18.8 438 438 A A H X S+ 0 0 2 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.911 108.9 49.6 -64.9 -43.5 -4.0 -52.9 -17.9 439 439 A F H X S+ 0 0 17 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.888 109.9 52.0 -62.2 -39.1 -7.0 -52.7 -15.6 440 440 A V H < S+ 0 0 55 -4,-2.5 3,-0.3 2,-0.2 -2,-0.2 0.924 112.8 43.2 -63.5 -45.6 -6.0 -55.9 -13.9 441 441 A L H >< S+ 0 0 10 -4,-2.1 3,-1.5 1,-0.2 7,-0.5 0.836 108.8 59.5 -69.5 -32.9 -2.4 -54.7 -13.3 442 442 A W H 3< S+ 0 0 53 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.841 98.3 59.0 -62.9 -30.4 -3.8 -51.4 -12.2 443 443 A S T 3< S+ 0 0 86 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.506 101.9 57.8 -76.1 -5.7 -5.7 -53.2 -9.4 444 444 A R S X> S- 0 0 136 -3,-1.5 4,-2.1 -4,-0.2 3,-1.7 -0.706 72.7-175.9-122.7 77.0 -2.3 -54.5 -8.1 445 445 A P H 3> S+ 0 0 95 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.750 79.2 51.5 -51.5 -35.2 -0.4 -51.2 -7.4 446 446 A S H 3> S+ 0 0 105 2,-0.2 4,-1.5 1,-0.2 -4,-0.1 0.761 111.0 48.5 -77.4 -23.5 2.9 -52.7 -6.4 447 447 A L H <> S+ 0 0 39 -3,-1.7 4,-2.4 -6,-0.2 -1,-0.2 0.868 110.2 52.2 -75.7 -40.5 3.0 -54.9 -9.6 448 448 A W H X S+ 0 0 10 -4,-2.1 4,-2.8 -7,-0.5 -2,-0.2 0.950 110.4 48.1 -54.5 -50.0 2.2 -51.8 -11.6 449 449 A R H X S+ 0 0 100 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.881 108.9 53.9 -60.6 -41.8 5.1 -50.0 -10.0 450 450 A F H X S+ 0 0 94 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.907 111.5 44.8 -56.3 -47.1 7.4 -53.0 -10.6 451 451 A V H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.899 110.0 55.8 -66.5 -43.3 6.4 -52.9 -14.4 452 452 A Q H X S+ 0 0 10 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.896 108.1 48.2 -51.4 -45.0 6.9 -49.0 -14.4 453 453 A R H X S+ 0 0 82 -4,-2.1 4,-0.7 2,-0.2 -1,-0.2 0.847 111.3 49.3 -72.7 -33.4 10.5 -49.4 -13.1 454 454 A Q H >X S+ 0 0 43 -4,-1.6 4,-0.9 2,-0.2 3,-0.7 0.919 109.5 52.3 -67.5 -41.9 11.3 -52.1 -15.7 455 455 A A H >< S+ 0 0 0 -4,-2.8 3,-1.2 1,-0.2 -2,-0.2 0.954 110.9 48.2 -54.8 -49.1 9.9 -49.8 -18.5 456 456 A M H 3< S+ 0 0 11 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.633 103.7 61.5 -69.3 -14.9 12.1 -47.0 -17.2 457 457 A A H << S+ 0 0 46 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.654 81.0 104.1 -81.7 -19.1 15.2 -49.4 -17.1 458 458 A M << - 0 0 59 -3,-1.2 2,-0.4 -4,-0.9 -54,-0.0 -0.411 61.5-152.9 -64.3 138.1 14.9 -49.9 -20.9 459 459 A D - 0 0 130 -2,-0.1 2,-0.5 2,-0.0 -2,-0.1 -0.976 20.5-178.8-124.7 129.6 17.6 -48.0 -22.8 460 460 A F - 0 0 31 -2,-0.4 -212,-2.4 -212,-0.1 2,-0.5 -0.914 20.5-174.2-128.5 98.4 17.4 -46.8 -26.3 461 461 A S > - 0 0 35 -2,-0.5 4,-2.0 -214,-0.3 5,-0.1 -0.837 29.1-156.7-109.3 127.7 20.6 -45.1 -27.1 462 462 A W H > S+ 0 0 13 -2,-0.5 4,-3.4 -214,-0.4 5,-0.1 0.871 99.2 55.2 -62.4 -40.0 21.7 -43.1 -30.2 463 463 A Q H > S+ 0 0 110 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.812 108.0 49.2 -67.0 -30.2 25.4 -43.8 -29.6 464 464 A V H >> S+ 0 0 85 2,-0.2 4,-1.0 1,-0.1 3,-0.5 0.933 113.2 46.2 -69.2 -47.9 24.6 -47.5 -29.5 465 465 A A H >X S+ 0 0 6 -4,-2.0 4,-2.0 1,-0.2 3,-0.7 0.897 106.3 60.7 -55.6 -43.8 22.7 -47.2 -32.8 466 466 A A H 3X S+ 0 0 1 -4,-3.4 4,-2.2 1,-0.2 -1,-0.2 0.839 97.9 59.0 -52.0 -36.9 25.6 -45.1 -34.2 467 467 A K H