==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-MAR-09 3GUH . 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) . 18697.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 363 76.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 63 13.2 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 . 67 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 146 30.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.3 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 1 3 1 0 2 0 2 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 46 0, 0.0 35,-2.4 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 114.6 34.6 -41.3 -42.5 2 2 A Q E -a 36 0A 58 33,-0.2 129,-2.5 127,-0.1 130,-1.7 -0.954 360.0-176.1-115.1 130.0 32.5 -38.5 -43.8 3 3 A V E -ab 37 132A 0 33,-2.1 35,-2.4 -2,-0.5 2,-0.5 -0.982 12.4-159.0-124.5 143.8 28.8 -39.0 -44.2 4 4 A L E -ab 38 133A 0 128,-2.0 130,-3.5 -2,-0.4 2,-0.4 -0.984 10.2-150.7-118.8 119.6 26.1 -36.7 -45.6 5 5 A H E -ab 39 134A 0 33,-2.8 35,-3.1 -2,-0.5 2,-0.5 -0.763 9.5-159.6 -83.8 136.1 22.6 -37.3 -44.6 6 6 A V E +ab 40 135A 0 128,-3.4 130,-2.0 -2,-0.4 2,-0.3 -0.974 35.2 122.4-116.9 124.6 20.2 -36.2 -47.3 7 7 A C - 0 0 0 33,-1.9 130,-0.1 -2,-0.5 3,-0.0 -0.950 58.9-117.3-169.5 177.8 16.6 -35.6 -46.1 8 8 A S S S+ 0 0 0 -2,-0.3 2,-0.3 128,-0.2 36,-0.1 0.399 83.4 39.6-120.9 2.3 13.9 -33.0 -45.8 9 9 A E - 0 0 4 10,-0.1 2,-0.2 6,-0.0 6,-0.2 -0.935 49.5-178.9-141.3 167.5 13.2 -32.4 -42.1 10 10 A M B > -I 14 0B 5 4,-2.5 4,-2.0 -2,-0.3 3,-0.3 -0.714 34.8 -91.8-172.0 116.6 15.1 -31.9 -38.9 11 11 A F T 4 S+ 0 0 28 9,-2.5 4,-0.1 1,-0.3 -2,-0.0 -0.478 101.6 12.4 -72.1 142.5 14.0 -31.3 -35.3 12 12 A P T 4 S+ 0 0 59 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -0.999 125.8 55.7 -91.4 -7.0 13.6 -28.6 -33.9 13 13 A L T 4 S- 0 0 24 -3,-0.3 2,-0.3 1,-0.2 -2,-0.2 0.900 126.8 -8.5 -51.0 -52.4 13.8 -26.5 -37.1 14 14 A L B < S+I 10 0B 18 -4,-2.0 -4,-2.5 6,-0.1 2,-0.4 -0.956 71.6 169.3-155.3 129.2 11.0 -28.3 -39.1 15 15 A K + 0 0 38 -2,-0.3 3,-0.1 -3,-0.2 -6,-0.0 -0.966 22.7 159.3-147.9 122.7 9.2 -31.5 -38.2 16 16 A T S S- 0 0 50 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.555 77.5 -19.9-113.4 -9.2 6.1 -33.3 -39.4 17 17 A G S >> S- 0 0 16 282,-0.0 3,-1.3 283,-0.0 4,-0.6 -0.919 93.3 -49.8-171.4-168.3 6.9 -36.7 -38.0 18 18 A G H >> S+ 0 0 36 -2,-0.3 4,-2.0 1,-0.3 3,-0.9 0.807 115.0 72.3 -55.6 -35.2 9.6 -39.1 -36.5 19 19 A L H 3> S+ 0 0 15 1,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.874 94.8 56.0 -46.2 -40.5 12.0 -38.6 -39.4 20 20 A A H <> S+ 0 0 0 -3,-1.3 -9,-2.5 1,-0.2 4,-2.0 0.872 103.9 52.0 -65.8 -37.6 12.7 -35.1 -38.0 21 21 A D H X S+ 0 0 1 -4,-2.0 4,-3.0 1,-0.2 3,-1.7 0.968 112.9 46.6 -56.9 -51.2 16.2 -39.0 -36.2 23 23 A I H 3< S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.867 108.7 56.9 -69.2 -27.2 17.7 -36.3 -38.2 24 24 A G H 3< S+ 0 0 16 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.658 123.9 18.4 -73.7 -11.1 17.9 -34.0 -35.2 25 25 A A H S+ 0 0 2 0, 0.0 4,-2.3 0, 0.0 10,-0.3 0.942 108.3 48.3 -58.2 -46.9 24.3 -36.9 -36.6 28 28 A A H > S+ 0 0 40 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.945 112.3 51.1 -54.9 -47.4 25.5 -35.6 -33.2 29 29 A A H X S+ 0 0 7 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.944 110.1 48.6 -53.6 -48.4 25.6 -39.2 -31.9 30 30 A Q H <>S+ 0 0 1 -4,-2.8 5,-1.9 1,-0.2 -1,-0.2 0.872 107.6 53.9 -63.1 -34.5 27.7 -40.3 -34.9 31 31 A I H ><5S+ 0 0 66 -4,-2.3 3,-2.2 1,-0.2 -1,-0.2 0.953 106.5 53.1 -65.3 -46.7 30.1 -37.4 -34.4 32 32 A A H 3<5S+ 0 0 64 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.838 108.6 51.5 -49.2 -36.1 30.5 -38.6 -30.8 33 33 A D T 3<5S- 0 0 41 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.089 129.2 -95.3 -98.6 17.2 31.4 -42.0 -32.2 34 34 A G T < 5S+ 0 0 58 -3,-2.2 2,-0.4 1,-0.2 -3,-0.2 0.836 84.4 121.0 78.4 38.4 34.0 -40.7 -34.6 35 35 A V < - 0 0 4 -5,-1.9 2,-1.5 -8,-0.2 -1,-0.2 -0.997 61.8-131.6-123.8 131.8 32.1 -40.2 -37.9 36 36 A D E -a 2 0A 56 -35,-2.4 -33,-2.1 -2,-0.4 2,-0.4 -0.696 35.2-175.2 -85.9 91.4 32.0 -36.8 -39.4 37 37 A A E +a 3 0A 0 -2,-1.5 41,-0.6 -10,-0.3 2,-0.3 -0.745 8.0 177.7 -89.8 131.3 28.3 -36.5 -40.1 38 38 A R E -ac 4 78A 40 -35,-2.4 -33,-2.8 -2,-0.4 2,-0.4 -0.876 19.4-134.7-122.5 162.4 26.9 -33.5 -41.9 39 39 A V E -ac 5 79A 0 39,-2.9 41,-4.4 -2,-0.3 2,-0.6 -0.962 7.3-158.9-121.4 138.2 23.2 -32.8 -43.0 40 40 A L E +ac 6 80A 0 -35,-3.1 -33,-1.9 -2,-0.4 41,-0.2 -0.968 22.7 166.8-114.3 117.7 21.9 -31.5 -46.3 41 41 A L E - c 0 81A 0 39,-3.1 41,-2.2 -2,-0.6 -33,-0.2 -0.940 41.9-102.7-123.6 151.6 18.4 -30.1 -46.2 42 42 A P E - c 0 82A 0 0, 0.0 2,-1.9 0, 0.0 41,-0.2 -0.438 46.1-107.9 -62.3 145.9 16.3 -27.9 -48.6 43 43 A A + 0 0 7 39,-2.5 41,-0.1 4,-0.1 45,-0.1 -0.371 51.9 170.6 -74.5 59.1 16.4 -24.3 -47.5 44 44 A F > - 0 0 7 -2,-1.9 4,-3.3 1,-0.1 5,-0.3 -0.276 48.0-104.8 -61.4 157.4 12.8 -24.2 -46.2 45 45 A P H > S+ 0 0 42 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.906 119.0 48.4 -59.8 -44.1 12.1 -20.9 -44.3 46 46 A D H > S+ 0 0 55 2,-0.2 4,-1.4 1,-0.2 -32,-0.1 0.917 114.9 46.2 -60.8 -39.7 12.1 -22.5 -40.9 47 47 A I H >> S+ 0 0 0 1,-0.2 4,-1.2 2,-0.2 3,-0.9 0.989 111.8 51.0 -65.4 -51.3 15.3 -24.3 -41.6 48 48 A R H >< S+ 0 0 90 -4,-3.3 3,-0.5 1,-0.3 -2,-0.2 0.885 109.5 50.7 -54.0 -40.1 17.0 -21.2 -43.1 49 49 A R H 3< S+ 0 0 183 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.823 106.1 55.3 -78.2 -19.0 16.1 -19.1 -40.1 50 50 A G H << S+ 0 0 22 -4,-1.4 2,-1.3 -3,-0.9 -1,-0.2 0.774 94.4 68.7 -73.5 -29.0 17.5 -21.6 -37.6 51 51 A V X< + 0 0 0 -4,-1.2 3,-0.9 -3,-0.5 -1,-0.2 -0.691 61.2 171.6 -94.6 84.8 21.0 -21.8 -39.0 52 52 A T T 3 + 0 0 129 -2,-1.3 -1,-0.1 1,-0.2 22,-0.1 0.535 67.7 55.0 -80.9 2.8 22.4 -18.3 -38.3 53 53 A D T 3 S+ 0 0 70 20,-0.4 2,-0.4 2,-0.1 -1,-0.2 0.016 74.3 145.7-116.5 26.1 26.1 -18.8 -39.3 54 54 A A < - 0 0 18 -3,-0.9 18,-0.3 -6,-0.2 2,-0.2 -0.540 25.0-173.3 -79.3 123.4 25.4 -20.0 -42.9 55 55 A Q E -D 71 0A 139 16,-2.4 16,-2.6 -2,-0.4 2,-0.3 -0.685 32.1 -94.7-105.6 162.8 28.0 -18.9 -45.5 56 56 A V E +D 70 0A 102 -2,-0.2 14,-0.2 14,-0.2 3,-0.1 -0.564 36.7 174.5 -71.9 133.6 27.9 -19.4 -49.3 57 57 A V E - 0 0 36 12,-3.1 2,-0.3 1,-0.4 13,-0.2 0.733 60.8 -34.5-107.7 -43.8 29.8 -22.5 -50.5 58 58 A S E -D 69 0A 24 11,-1.3 11,-2.1 67,-0.1 -1,-0.4 -0.988 48.2-126.3-168.3-178.0 29.0 -22.4 -54.2 59 59 A R E +D 68 0A 142 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.990 27.7 177.2-145.9 120.8 26.4 -21.6 -56.8 60 60 A R E -D 67 0A 91 7,-2.7 7,-2.3 -2,-0.4 2,-0.3 -0.929 28.8-133.8-132.4 153.7 25.0 -23.9 -59.5 61 61 A D + 0 0 109 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.791 37.7 174.8 -93.6 158.7 22.6 -24.1 -62.4 62 62 A T > - 0 0 13 -2,-0.3 3,-3.3 3,-0.2 50,-0.0 -0.945 50.3 -87.6-164.7 155.3 20.6 -27.3 -62.4 63 63 A F T 3 S+ 0 0 38 1,-0.3 3,-0.1 -2,-0.3 115,-0.1 0.553 130.4 43.8 -54.4 -10.5 17.8 -29.0 -64.2 64 64 A A T 3 S- 0 0 14 1,-0.5 -1,-0.3 44,-0.1 2,-0.2 0.219 124.3 -94.6-120.0 10.4 15.4 -27.2 -61.8 65 65 A G < - 0 0 20 -3,-3.3 -1,-0.5 2,-0.0 2,-0.4 -0.630 68.5 -15.1 107.2-170.5 17.1 -23.9 -61.8 66 66 A H - 0 0 95 -2,-0.2 2,-0.4 -5,-0.2 -5,-0.2 -0.578 50.8-173.1 -81.2 129.1 19.7 -22.1 -59.8 67 67 A I E -D 60 0A 1 -7,-2.3 -7,-2.7 -2,-0.4 2,-0.6 -0.889 13.9-157.3-107.9 145.0 20.8 -23.2 -56.4 68 68 A T E -DE 59 83A 29 15,-3.0 15,-1.9 -2,-0.4 2,-0.6 -0.975 22.6-141.3-111.3 117.0 23.0 -21.4 -54.1 69 69 A L E -DE 58 82A 0 -11,-2.1 -12,-3.1 -2,-0.6 -11,-1.3 -0.721 20.9-168.8 -77.8 120.1 24.5 -24.0 -51.7 70 70 A L E -DE 56 81A 11 11,-2.6 11,-2.4 -2,-0.6 2,-0.4 -0.722 7.4-161.5-103.6 156.7 24.9 -22.7 -48.0 71 71 A F E +DE 55 80A 31 -16,-2.6 -16,-2.4 -2,-0.3 2,-0.2 -0.991 23.6 138.4-137.8 132.8 26.7 -24.3 -45.1 72 72 A G E - E 0 79A 0 7,-3.1 7,-3.1 -2,-0.4 2,-0.3 -0.808 42.0 -99.3-149.9-166.6 26.3 -23.5 -41.4 73 73 A H E - E 0 78A 93 -2,-0.2 -20,-0.4 5,-0.2 2,-0.3 -0.900 23.3-177.6-125.4 150.7 26.1 -25.1 -38.0 74 74 A Y E > S- E 0 77A 51 3,-2.3 3,-1.2 -2,-0.3 -23,-0.1 -0.825 77.2 -14.5-147.9 115.4 23.2 -26.0 -35.8 75 75 A N T 3 S- 0 0 109 -2,-0.3 3,-0.1 1,-0.3 -47,-0.0 0.876 129.7 -53.5 64.2 34.0 23.6 -27.6 -32.3 76 76 A G T 3 S+ 0 0 69 1,-0.2 2,-0.4 -48,-0.0 -1,-0.3 0.529 115.8 113.6 74.4 6.9 27.3 -28.3 -33.2 77 77 A V E < S- E 0 74A 10 -3,-1.2 -3,-2.3 -46,-0.0 2,-0.4 -0.911 71.4-112.4-111.4 145.9 26.5 -30.2 -36.4 78 78 A G E -cE 38 73A 6 -41,-0.6 -39,-2.9 -2,-0.4 2,-0.5 -0.561 34.4-168.9 -72.8 120.2 27.3 -29.1 -40.0 79 79 A I E -cE 39 72A 0 -7,-3.1 -7,-3.1 -2,-0.4 2,-0.5 -0.960 9.5-159.0-116.9 122.6 24.2 -28.3 -42.0 80 80 A Y E -cE 40 71A 0 -41,-4.4 -39,-3.1 -2,-0.5 2,-0.5 -0.860 12.1-156.2 -91.8 133.2 24.1 -27.7 -45.7 81 81 A L E -cE 41 70A 0 -11,-2.4 -11,-2.6 -2,-0.5 2,-1.3 -0.909 13.3-143.1-108.4 132.7 21.2 -25.7 -47.1 82 82 A I E -cE 42 69A 0 -41,-2.2 -39,-2.5 -2,-0.5 2,-1.1 -0.754 21.8-161.8 -86.0 98.1 19.9 -25.9 -50.7 83 83 A D E + E 0 68A 38 -15,-1.9 -15,-3.0 -2,-1.3 -39,-0.1 -0.728 37.1 135.7 -88.3 104.9 19.0 -22.3 -51.2 84 84 A A >> - 0 0 0 -2,-1.1 3,-2.5 -17,-0.2 4,-2.5 -0.757 27.8-175.6-142.9 80.0 16.6 -22.2 -54.2 85 85 A P H 3> S+ 0 0 66 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.798 77.9 64.7 -62.5 -25.6 13.8 -19.9 -53.2 86 86 A H H 34 S+ 0 0 98 -20,-0.2 -21,-0.0 1,-0.2 0, 0.0 0.619 118.5 28.1 -69.9 -14.6 11.7 -20.4 -56.3 87 87 A L H <4 S+ 0 0 5 -3,-2.5 -1,-0.2 22,-0.1 22,-0.1 0.725 135.6 23.2-105.8 -38.3 11.3 -24.0 -55.2 88 88 A Y H < S+ 0 0 1 -4,-2.5 2,-2.6 1,-0.1 -2,-0.2 0.570 85.8 98.5-113.5 -17.7 11.6 -23.9 -51.4 89 89 A D < + 0 0 106 -4,-1.7 -1,-0.1 -5,-0.4 -45,-0.1 -0.429 58.6 117.8 -77.1 73.3 10.7 -20.4 -50.2 90 90 A R - 0 0 50 -2,-2.6 -4,-0.0 2,-0.1 -3,-0.0 -0.999 63.9-113.3-140.6 137.1 7.1 -21.4 -49.3 91 91 A P S S+ 0 0 99 0, 0.0 2,-0.5 0, 0.0 7,-0.1 -0.315 72.8 1.1 -74.5 152.4 5.5 -21.4 -45.8 92 92 A G S S+ 0 0 53 3,-0.0 -46,-0.2 5,-0.0 5,-0.1 -0.649 105.1 37.9 91.1-125.9 4.3 -24.4 -43.8 93 93 A S - 0 0 27 -2,-0.5 5,-0.0 3,-0.4 -77,-0.0 -0.383 57.1-143.0 -75.8 139.0 4.7 -28.0 -45.0 94 94 A P S S+ 0 0 1 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 0.920 102.2 39.2 -48.3 -43.3 7.7 -29.3 -47.0 95 95 A Y S S+ 0 0 34 1,-0.1 8,-1.3 7,-0.1 2,-0.3 0.715 116.6 14.8 -94.7 -27.7 5.3 -31.4 -48.9 96 96 A H B S-J 102 0C 60 6,-0.2 -3,-0.4 1,-0.1 6,-0.3 -0.983 70.0 -99.0-153.6 155.0 2.0 -29.6 -49.8 97 97 A D > - 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0 0 0 -5,-4.2 -22,-0.2 -6,-0.2 -1,-0.2 -0.958 60.2-121.0-114.6 112.4 3.9 -44.3 -19.1 392 392 A L E -q 369 0F 0 -24,-1.5 -22,-1.9 -2,-0.6 2,-0.3 -0.200 20.4-132.3 -66.4 132.4 3.2 -47.8 -20.2 393 393 A P E -q 370 0F 0 0, 0.0 28,-3.4 0, 0.0 2,-0.6 -0.623 11.1-160.9 -87.9 143.1 2.8 -48.4 -24.0 394 394 A L E +qr 371 421F 0 -24,-2.5 -22,-3.4 -2,-0.3 2,-0.3 -0.970 33.4 158.3-120.7 107.3 -0.2 -50.4 -25.3 395 395 A V E -qr 372 422F 0 26,-3.4 28,-2.3 -2,-0.6 2,-0.4 -0.793 45.1-108.8-131.6 169.6 0.8 -51.5 -28.8 396 396 A R E - r 0 423F 29 -24,-1.1 2,-2.3 -2,-0.3 28,-0.2 -0.832 45.1-106.6 -97.0 144.2 0.2 -54.0 -31.6 397 397 A R S S+ 0 0 141 26,-2.3 2,-0.3 -2,-0.4 25,-0.0 -0.459 79.9 111.3 -76.1 80.5 3.0 -56.5 -32.1 398 398 A T S >> S- 0 0 1 -2,-2.3 3,-1.4 -21,-0.1 4,-0.8 -0.989 70.8 -25.4-149.5 151.2 4.3 -55.1 -35.4 399 399 A G H >> S- 0 0 0 -2,-0.3 4,-1.1 1,-0.3 3,-1.1 0.015 124.7 -7.5 47.0-143.3 7.4 -53.2 -36.6 400 400 A G H 3> S+ 0 0 0 -23,-2.4 4,-0.8 1,-0.3 -1,-0.3 0.809 131.7 65.6 -53.6 -29.4 9.5 -51.3 -34.1 401 401 A L H X> S+ 0 0 1 -3,-1.4 4,-2.0 -24,-0.5 3,-1.0 0.918 101.0 49.2 -62.4 -36.1 6.7 -51.9 -31.5 402 402 A A H << S+ 0 0 37 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.768 110.4 53.4 -68.5 -27.9 7.5 -55.6 -31.7 403 403 A D H 3< S+ 0 0 53 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.653 119.6 26.6 -81.4 -17.1 11.1 -54.8 -31.2 404 404 A T H << S+ 0 0 9 -3,-1.0 2,-0.4 -4,-0.8 -2,-0.2 0.581 100.9 71.4-132.1 -15.5 10.8 -52.6 -28.1 405 405 A V < - 0 0 11 -4,-2.0 2,-0.5 -5,-0.2 -1,-0.1 -0.910 54.7-157.3-115.0 135.1 7.8 -53.5 -25.9 406 406 A S - 0 0 40 -2,-0.4 13,-3.1 11,-0.2 14,-2.3 -0.929 21.1-122.3-113.7 133.2 7.4 -56.5 -23.7 407 407 A D B -s 420 0G 35 -2,-0.5 2,-2.4 11,-0.2 14,-0.2 -0.161 23.2-110.7 -67.3 149.8 4.0 -57.7 -22.6 408 408 A C + 0 0 15 12,-1.1 2,-0.2 10,-0.1 -1,-0.1 -0.416 64.8 149.1 -72.6 59.2 2.9 -58.2 -19.1 409 409 A S > - 0 0 22 -2,-2.4 4,-2.7 1,-0.1 5,-0.3 -0.600 62.9-107.6 -91.8 162.1 2.8 -61.9 -19.5 410 410 A L H > S+ 0 0 150 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.909 120.9 48.8 -58.6 -41.0 3.6 -64.2 -16.6 411 411 A E H > S+ 0 0 118 1,-0.2 4,-3.4 2,-0.2 -1,-0.2 0.945 112.6 49.1 -61.0 -46.0 7.0 -65.1 -18.0 412 412 A N H 4>S+ 0 0 31 2,-0.2 5,-2.5 1,-0.2 6,-1.3 0.922 112.7 45.1 -62.8 -41.8 7.8 -61.5 -18.6 413 413 A L H ><5S+ 0 0 33 -4,-2.7 3,-1.7 1,-0.2 -1,-0.2 0.963 115.6 49.1 -61.8 -49.5 6.8 -60.4 -15.1 414 414 A A H 3<5S+ 0 0 82 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.870 112.3 46.2 -62.3 -39.8 8.7 -63.3 -13.6 415 415 A D T 3<5S- 0 0 127 -4,-3.4 -1,-0.3 -5,-0.2 -2,-0.2 0.480 111.4-122.3 -79.4 0.9 11.8 -62.6 -15.7 416 416 A G T < 5S+ 0 0 21 -3,-1.7 -3,-0.2 -4,-0.4 -2,-0.1 0.791 85.8 106.4 63.4 34.0 11.5 -58.9 -14.8 417 417 A V < + 0 0 58 -5,-2.5 -11,-0.2 -6,-0.2 -4,-0.2 0.522 36.6 119.6-118.8 -14.6 11.4 -57.9 -18.4 418 418 A A + 0 0 1 -6,-1.3 37,-0.2 1,-0.1 -11,-0.2 -0.344 26.5 163.7 -56.4 130.7 7.7 -56.9 -18.8 419 419 A S - 0 0 0 -13,-3.1 2,-0.3 35,-0.1 -12,-0.2 0.431 54.5 -34.7-130.0 -0.8 7.4 -53.3 -19.9 420 420 A G B S-s 407 0G 0 -14,-2.3 -12,-1.1 -28,-0.2 2,-0.5 -0.936 76.1 -49.3 175.6-148.3 3.8 -52.7 -21.3 421 421 A F E -r 394 0F 0 -28,-3.4 -26,-3.4 -2,-0.3 2,-0.4 -0.951 38.2-174.1-130.1 131.9 0.9 -54.2 -23.2 422 422 A V E -r 395 0F 17 -2,-0.5 2,-0.3 -28,-0.2 -26,-0.2 -0.955 2.2-177.8-126.6 136.3 0.9 -56.0 -26.5 423 423 A F E -r 396 0F 7 -28,-2.3 -26,-2.3 -2,-0.4 8,-0.1 -0.910 15.8-146.6-130.4 163.9 -2.0 -57.2 -28.6 424 424 A E + 0 0 79 -2,-0.3 2,-0.3 -28,-0.2 -1,-0.1 0.915 62.6 53.7-106.4 -49.7 -1.9 -59.1 -31.8 425 425 A D S S- 0 0 97 2,-0.1 2,-2.6 1,-0.1 6,-0.2 -0.692 77.5-111.4-103.3 149.9 -4.6 -58.5 -34.4 426 426 A S S S+ 0 0 47 -2,-0.3 2,-0.3 4,-0.1 -1,-0.1 -0.324 78.4 97.5 -69.1 63.5 -5.8 -55.3 -36.0 427 427 A N S > S- 0 0 63 -2,-2.6 4,-2.1 1,-0.1 5,-0.3 -0.997 80.3-111.2-151.4 157.2 -9.3 -55.1 -34.4 428 428 A A H > S+ 0 0 12 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.707 115.1 54.1 -48.7 -31.7 -11.3 -53.6 -31.6 429 429 A W H > S+ 0 0 183 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.964 108.2 46.4 -75.7 -49.6 -11.7 -56.9 -29.9 430 430 A S H > S+ 0 0 11 -3,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.878 115.6 48.3 -55.7 -41.5 -8.0 -57.8 -29.8 431 431 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.858 104.9 58.9 -65.9 -41.0 -7.2 -54.2 -28.5 432 432 A L H X S+ 0 0 42 -4,-1.8 4,-2.7 -5,-0.3 -2,-0.2 0.845 99.5 57.7 -63.6 -28.6 -9.9 -54.4 -25.9 433 433 A R H X S+ 0 0 128 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.927 106.6 47.9 -67.3 -41.2 -8.2 -57.4 -24.4 434 434 A A H X S+ 0 0 0 -4,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.928 109.9 54.1 -61.8 -40.2 -5.0 -55.4 -23.9 435 435 A I H X S+ 0 0 2 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.957 108.6 48.1 -58.1 -45.3 -7.1 -52.6 -22.4 436 436 A R H X S+ 0 0 112 -4,-2.7 4,-2.3 1,-0.3 -1,-0.2 0.866 108.1 56.2 -60.6 -36.6 -8.6 -55.2 -19.9 437 437 A R H X S+ 0 0 72 -4,-2.3 4,-2.6 1,-0.2 -1,-0.3 0.924 105.9 49.5 -62.7 -42.7 -5.1 -56.3 -19.2 438 438 A A H X S+ 0 0 2 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.907 108.0 54.0 -66.4 -41.2 -4.1 -52.8 -18.2 439 439 A F H X S+ 0 0 17 -4,-2.4 4,-1.3 -5,-0.2 -1,-0.2 0.915 109.6 49.0 -57.6 -36.9 -7.1 -52.5 -16.0 440 440 A V H >< S+ 0 0 51 -4,-2.3 3,-0.6 2,-0.2 -2,-0.2 0.959 111.9 46.7 -67.9 -48.6 -6.1 -55.7 -14.2 441 441 A L H >< S+ 0 0 10 -4,-2.6 3,-2.1 1,-0.2 7,-0.5 0.881 106.0 61.1 -58.7 -39.3 -2.5 -54.5 -13.7 442 442 A W H 3< S+ 0 0 55 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.839 98.0 57.0 -59.6 -32.0 -3.7 -51.2 -12.5 443 443 A S T << S+ 0 0 86 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.410 99.9 61.6 -82.9 6.6 -5.5 -52.8 -9.6 444 444 A R S X> S- 0 0 142 -3,-2.1 4,-2.4 1,-0.1 3,-1.3 -0.630 70.8-179.1-121.9 73.0 -2.2 -54.3 -8.5 445 445 A P H 3> S+ 0 0 96 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.779 78.1 54.8 -47.8 -40.6 -0.3 -51.0 -7.8 446 446 A S H 3> S+ 0 0 108 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.903 112.1 44.8 -55.3 -47.2 3.0 -52.8 -6.7 447 447 A L H <> S+ 0 0 40 -3,-1.3 4,-2.8 2,-0.2 5,-0.3 0.903 110.3 53.9 -66.3 -42.3 2.9 -54.6 -10.0 448 448 A W H X S+ 0 0 11 -4,-2.4 4,-3.1 -7,-0.5 -2,-0.2 0.955 111.6 45.8 -55.1 -45.3 2.1 -51.5 -11.9 449 449 A R H X S+ 0 0 98 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.918 109.5 54.5 -66.9 -39.3 5.1 -49.8 -10.3 450 450 A F H X S+ 0 0 96 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.933 111.9 44.2 -57.1 -49.2 7.4 -52.8 -11.0 451 451 A V H X S+ 0 0 0 -4,-2.8 4,-3.4 1,-0.2 -2,-0.2 0.912 109.7 56.6 -63.6 -46.3 6.5 -52.7 -14.7 452 452 A Q H X S+ 0 0 12 -4,-3.1 4,-2.5 -5,-0.3 -2,-0.2 0.933 107.1 49.3 -46.3 -49.5 6.8 -48.9 -14.8 453 453 A R H < S+ 0 0 84 -4,-2.7 4,-0.4 2,-0.2 -2,-0.2 0.909 111.1 48.1 -65.7 -41.3 10.4 -49.2 -13.5 454 454 A Q H >X S+ 0 0 43 -4,-1.8 3,-1.5 2,-0.2 4,-0.9 0.928 109.8 54.0 -59.9 -45.2 11.4 -51.8 -16.1 455 455 A A H >< S+ 0 0 0 -4,-3.4 3,-1.5 1,-0.3 -2,-0.2 0.963 109.0 48.7 -51.2 -51.3 9.8 -49.6 -18.8 456 456 A M T 3< S+ 0 0 10 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.516 104.1 61.7 -73.1 -1.3 12.0 -46.8 -17.6 457 457 A A T <4 S+ 0 0 45 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.570 77.2 105.3 -94.9 -16.5 15.1 -49.0 -17.6 458 458 A M << - 0 0 62 -3,-1.5 2,-0.5 -4,-0.9 -54,-0.0 -0.387 62.5-147.8 -63.6 145.5 14.9 -49.7 -21.3 459 459 A D - 0 0 130 2,-0.1 2,-0.6 -2,-0.0 -2,-0.1 -0.951 21.2-178.0-124.6 126.8 17.6 -47.8 -23.2 460 460 A F - 0 0 29 -2,-0.5 -212,-2.4 -76,-0.1 2,-0.5 -0.825 19.5-177.3-121.0 96.0 17.4 -46.4 -26.7 461 461 A S > - 0 0 34 -2,-0.6 4,-2.4 -214,-0.3 5,-0.1 -0.793 29.8-157.8-108.6 132.5 20.6 -44.8 -27.5 462 462 A W H > S+ 0 0 14 -2,-0.5 4,-3.7 -214,-0.4 -1,-0.2 0.865 99.5 55.0 -68.2 -33.9 21.6 -42.9 -30.6 463 463 A Q H > S+ 0 0 108 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.862 107.8 50.4 -71.1 -27.6 25.3 -43.5 -29.9 464 464 A V H >> S+ 0 0 90 2,-0.2 4,-1.1 1,-0.2 3,-0.8 0.995 112.9 44.9 -68.9 -56.9 24.5 -47.2 -29.8 465 465 A A H >X S+ 0 0 6 -4,-2.4 4,-2.1 1,-0.2 3,-0.7 0.878 107.7 60.3 -42.2 -47.7 22.6 -46.9 -33.1 466 466 A A H 3X S+ 0 0 1 -4,-3.7 4,-2.8 1,-0.3 -1,-0.2 0.889 99.2 57.2 -54.3 -38.9 25.6 -44.8 -34.5 467 467 A K H < S+ 0 0 122 -4,-2.0 3,-1.0 -5,-0.2 -2,-0.2 0.947 105.9 56.1 -74.1 -49.5 33.0 -49.4 -43.1 475 475 A R H 3< S+ 0 0 148 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.962 111.2 47.1 -45.3 -49.9 31.8 -52.6 -44.7 476 476 A L H 3< 0 0 22 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.725 360.0 360.0 -68.1 -20.6 30.9 -50.4 -47.8 477 477 A K << 0 0 181 -3,-1.0 -1,-0.2 -4,-0.7 -322,-0.1 -0.386 360.0 360.0 70.3 360.0 34.4 -48.8 -47.6