==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-AUG-13 4M60 . COMPND 2 MOLECULE: OLEANDOMYCIN GLYCOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES ANTIBIOTICUS; . AUTHOR J.L.OLMOS JR.,E.MARTINEZ III,F.WANG,K.E.HELMICH,S.SINGH,W.XU . 376 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17553.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 266 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 30 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 123 32.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 1 3 1 1 0 2 2 1 1 0 0 0 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 5 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 6 A T 0 0 183 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -47.0 44.6 23.6 -0.1 2 7 A P - 0 0 76 0, 0.0 29,-0.1 0, 0.0 2,-0.1 -0.453 360.0-104.7 -59.3 143.8 44.2 25.4 3.1 3 8 A A - 0 0 24 -2,-0.1 29,-2.6 1,-0.1 2,-0.7 -0.424 30.9-128.4 -63.4 145.5 42.6 28.8 2.6 4 9 A H E -a 32 0A 3 27,-0.2 97,-2.5 95,-0.1 98,-1.2 -0.904 24.5-172.9-102.3 114.1 45.1 31.7 2.8 5 10 A I E -ab 33 102A 0 27,-2.8 29,-2.3 -2,-0.7 2,-0.6 -0.949 8.3-156.9-106.1 124.2 44.0 34.4 5.2 6 11 A A E -ab 34 103A 0 96,-2.5 98,-3.0 -2,-0.5 2,-0.3 -0.920 6.4-164.0-104.7 115.8 46.2 37.5 5.2 7 12 A X E -ab 35 104A 0 27,-3.1 29,-3.1 -2,-0.6 2,-0.4 -0.761 4.8-162.9 -94.1 145.6 46.1 39.7 8.4 8 13 A F E +ab 36 105A 0 96,-1.3 98,-2.5 -2,-0.3 2,-0.3 -0.996 21.8 136.1-130.6 131.2 47.4 43.3 8.4 9 14 A S - 0 0 0 27,-2.0 2,-0.2 -2,-0.4 7,-0.1 -0.881 40.0-108.8-152.2-168.8 48.3 45.6 11.3 10 15 A I - 0 0 1 -2,-0.3 2,-2.0 2,-0.2 5,-0.1 -0.700 44.4 -88.7-121.5 169.2 50.9 48.0 12.5 11 16 A A S S+ 0 0 8 -2,-0.2 2,-0.4 49,-0.1 3,-0.1 -0.523 84.9 114.9 -84.8 72.2 53.5 47.9 15.3 12 17 A A > - 0 0 11 -2,-2.0 3,-1.9 1,-0.1 4,-0.5 -0.974 63.6-139.5-140.9 126.7 51.2 49.1 18.1 13 18 A H G >> S+ 0 0 73 -2,-0.4 4,-2.6 1,-0.3 3,-1.5 0.879 103.1 54.1 -52.0 -44.5 50.2 46.9 21.0 14 19 A G G 34 S+ 0 0 46 1,-0.3 -1,-0.3 2,-0.2 -3,-0.1 0.585 110.7 47.4 -70.7 -9.8 46.6 48.2 21.0 15 20 A H G <4 S+ 0 0 39 -3,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.347 123.5 30.2-111.0 5.3 46.2 47.2 17.4 16 21 A V T X> S+ 0 0 0 -3,-1.5 3,-1.1 -4,-0.5 4,-0.7 0.648 108.4 59.7-126.1 -52.2 47.7 43.8 17.7 17 22 A N G >< S+ 0 0 69 -4,-2.6 3,-1.2 1,-0.2 4,-0.5 0.882 97.1 62.6 -52.1 -42.4 47.1 42.3 21.1 18 23 A P G 34 S+ 0 0 58 0, 0.0 -1,-0.2 0, 0.0 3,-0.2 0.782 113.8 32.1 -60.1 -30.1 43.3 42.4 20.8 19 24 A S G <> S+ 0 0 4 -3,-1.1 4,-2.2 1,-0.1 5,-0.2 0.334 87.8 102.2-105.0 4.6 43.1 40.0 17.8 20 25 A L H S+ 0 0 60 -4,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.857 108.2 54.3 -73.4 -33.6 43.9 35.0 20.0 22 27 A V H > S+ 0 0 5 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.924 110.2 47.2 -61.1 -44.9 41.7 35.1 16.9 23 28 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.928 111.3 50.9 -62.5 -46.4 44.7 34.7 14.7 24 29 A R H X S+ 0 0 89 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.932 110.6 50.0 -56.0 -44.8 46.0 31.8 16.8 25 30 A E H X S+ 0 0 54 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.895 108.3 51.9 -62.4 -41.3 42.5 30.1 16.6 26 31 A L H <>S+ 0 0 0 -4,-2.3 5,-1.8 1,-0.2 4,-0.2 0.920 111.3 47.5 -64.8 -39.9 42.4 30.5 12.8 27 32 A V H ><5S+ 0 0 40 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.911 108.6 55.1 -62.8 -42.2 45.8 28.8 12.6 28 33 A A H 3<5S+ 0 0 75 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.782 102.4 57.7 -63.8 -25.4 44.6 26.1 15.0 29 34 A R T 3<5S- 0 0 73 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.492 124.7-102.5 -85.0 -3.6 41.7 25.4 12.6 30 35 A G T < 5S+ 0 0 47 -3,-1.8 -3,-0.2 1,-0.3 2,-0.1 0.421 72.7 141.1 102.2 0.7 44.2 24.7 9.8 31 36 A H < - 0 0 31 -5,-1.8 2,-0.8 -29,-0.1 -1,-0.3 -0.482 57.0-118.8 -72.5 144.9 44.0 28.0 7.8 32 37 A R E -a 4 0A 105 -29,-2.6 -27,-2.8 -2,-0.1 2,-0.5 -0.786 39.3-169.4 -82.5 113.2 47.2 29.3 6.3 33 38 A V E -a 5 0A 8 -2,-0.8 18,-2.5 -29,-0.2 2,-0.3 -0.913 13.4-175.3-115.5 126.9 47.6 32.7 8.0 34 39 A T E -ac 6 51A 4 -29,-2.3 -27,-3.1 -2,-0.5 2,-0.4 -0.855 10.2-156.2-112.5 153.5 50.0 35.3 7.0 35 40 A Y E -ac 7 52A 0 16,-2.6 18,-2.6 -2,-0.3 2,-0.4 -0.889 8.7-146.1-141.7 103.8 50.4 38.5 9.0 36 41 A A E +ac 8 53A 0 -29,-3.1 -27,-2.0 -2,-0.4 18,-0.2 -0.577 43.3 144.0 -70.2 122.1 51.7 41.7 7.5 37 42 A I E - c 0 54A 0 16,-2.0 18,-1.1 -2,-0.4 -27,-0.1 -0.988 53.1 -97.2-159.6 147.9 53.6 43.4 10.4 38 43 A P > - 0 0 10 0, 0.0 3,-1.9 0, 0.0 4,-0.2 -0.451 45.9-105.3 -70.3 155.2 56.7 45.5 11.1 39 44 A P G > S+ 0 0 79 0, 0.0 3,-1.7 0, 0.0 4,-0.5 0.748 113.8 69.7 -52.3 -33.0 59.8 43.6 12.3 40 45 A V G 3 S+ 0 0 92 1,-0.3 4,-0.2 2,-0.1 3,-0.1 0.759 108.4 37.8 -61.7 -23.4 59.5 44.7 15.9 41 46 A F G <> S+ 0 0 9 -3,-1.9 4,-2.5 1,-0.1 -1,-0.3 0.250 84.5 104.9-110.3 10.8 56.4 42.6 16.2 42 47 A A H <> S+ 0 0 23 -3,-1.7 4,-3.0 2,-0.2 5,-0.2 0.923 84.5 46.0 -54.9 -48.7 57.6 39.6 14.1 43 48 A D H > S+ 0 0 138 -4,-0.5 4,-1.8 2,-0.2 -1,-0.2 0.930 111.8 52.0 -62.8 -45.9 58.2 37.4 17.2 44 49 A K H 4 S+ 0 0 58 -4,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.911 115.4 41.4 -53.4 -47.2 54.9 38.4 18.7 45 50 A V H ><>S+ 0 0 0 -4,-2.5 3,-1.7 1,-0.2 5,-0.8 0.899 110.1 55.7 -71.9 -42.4 53.0 37.5 15.5 46 51 A A H ><5S+ 0 0 46 -4,-3.0 3,-1.8 1,-0.3 -1,-0.2 0.820 96.1 68.3 -62.2 -30.4 55.0 34.3 14.8 47 52 A A T 3<5S+ 0 0 65 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.709 92.7 58.5 -63.3 -19.7 54.0 33.1 18.3 48 53 A T T < 5S- 0 0 6 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.639 121.2-109.1 -78.6 -16.7 50.4 32.8 17.1 49 54 A G T < 5S+ 0 0 51 -3,-1.8 -16,-0.2 1,-0.4 -3,-0.2 0.194 79.9 127.2 102.2 -13.2 51.6 30.4 14.4 50 55 A A < - 0 0 4 -5,-0.8 -1,-0.4 -18,-0.1 -16,-0.2 -0.407 66.4-112.2 -73.1 152.7 51.0 32.9 11.6 51 56 A R E -c 34 0A 186 -18,-2.5 -16,-2.6 -2,-0.1 2,-0.2 -0.765 30.6-130.4 -85.5 120.5 53.8 33.7 9.2 52 57 A P E -c 35 0A 35 0, 0.0 2,-0.6 0, 0.0 -16,-0.2 -0.483 14.7-160.9 -69.2 138.6 55.0 37.2 9.6 53 58 A V E -c 36 0A 22 -18,-2.6 -16,-2.0 -2,-0.2 2,-0.1 -0.953 22.6-141.5-116.9 106.3 55.2 39.2 6.4 54 59 A L E +c 37 0A 92 -2,-0.6 2,-0.3 -18,-0.2 -18,-0.1 -0.402 29.3 161.5 -80.9 142.8 57.5 42.1 7.2 55 60 A Y - 0 0 11 -18,-1.1 2,-0.6 -2,-0.1 32,-0.1 -0.981 39.6-106.6-149.0 157.9 57.2 45.6 6.0 56 61 A H - 0 0 115 -2,-0.3 2,-0.4 -18,-0.1 34,-0.1 -0.781 32.2-168.3 -90.5 125.3 58.5 49.0 7.0 57 62 A S - 0 0 17 -2,-0.6 26,-0.1 2,-0.1 27,-0.1 -0.914 18.3-155.1-112.3 136.9 56.0 51.3 8.7 58 63 A T + 0 0 75 -2,-0.4 3,-0.1 21,-0.2 -1,-0.1 0.358 62.5 110.6 -90.6 3.3 56.7 55.0 9.3 59 64 A L S S- 0 0 16 1,-0.1 -2,-0.1 21,-0.1 10,-0.1 -0.359 86.3 -80.7 -71.9 157.5 54.3 55.2 12.2 60 65 A P - 0 0 30 0, 0.0 -1,-0.1 0, 0.0 -49,-0.1 -0.349 55.9-104.9 -58.8 142.4 55.8 55.6 15.7 61 66 A G > - 0 0 36 1,-0.1 3,-2.2 -3,-0.1 -49,-0.1 -0.123 34.8 -95.8 -66.0 166.9 57.1 52.3 17.2 62 67 A P T 3 S+ 0 0 31 0, 0.0 -49,-0.2 0, 0.0 -1,-0.1 0.602 124.3 46.0 -64.5 -13.0 55.2 50.4 19.9 63 68 A D T 3 S+ 0 0 139 2,-0.1 -2,-0.1 -51,-0.1 -51,-0.1 0.332 84.8 120.9-110.2 2.7 57.2 52.1 22.7 64 69 A A S < S- 0 0 40 -3,-2.2 5,-0.1 1,-0.1 0, 0.0 -0.267 75.5 -92.1 -66.8 153.3 57.1 55.7 21.4 65 70 A D > - 0 0 114 1,-0.1 3,-2.6 2,-0.0 4,-0.4 -0.412 32.2-121.0 -61.9 139.7 55.6 58.4 23.7 66 71 A P G > S+ 0 0 109 0, 0.0 3,-1.3 0, 0.0 4,-0.2 0.769 112.7 69.8 -54.9 -24.2 51.9 58.9 23.0 67 72 A E G > S+ 0 0 171 1,-0.3 3,-1.4 2,-0.2 -2,-0.0 0.754 85.2 68.7 -62.6 -25.3 52.8 62.5 22.1 68 73 A A G < S+ 0 0 58 -3,-2.6 -1,-0.3 1,-0.3 3,-0.1 0.767 90.6 61.2 -66.0 -24.7 54.5 61.1 19.0 69 74 A W G < S- 0 0 59 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.467 116.3-105.0 -84.6 -2.2 51.1 60.2 17.6 70 75 A G < - 0 0 25 -3,-1.4 -1,-0.2 -4,-0.2 -2,-0.1 -0.031 11.7-124.7 101.6 160.4 50.0 63.8 17.6 71 76 A S S S+ 0 0 110 -3,-0.1 2,-0.1 -4,-0.0 -1,-0.1 0.674 85.6 59.7-112.7 -31.5 47.7 66.2 19.6 72 77 A T S > S- 0 0 65 1,-0.1 4,-1.7 0, 0.0 5,-0.1 -0.465 89.6-107.8 -96.1 171.2 45.4 67.6 16.9 73 78 A L H > S+ 0 0 42 2,-0.2 4,-1.8 1,-0.2 3,-0.3 0.962 120.2 44.0 -63.3 -51.1 43.0 65.8 14.6 74 79 A L H > S+ 0 0 14 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.879 112.5 53.2 -63.2 -37.1 45.1 66.4 11.5 75 80 A D H 4 S+ 0 0 60 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.834 112.1 46.2 -65.4 -32.8 48.3 65.5 13.4 76 81 A N H < S+ 0 0 59 -4,-1.7 4,-0.2 -3,-0.3 -1,-0.2 0.823 120.1 37.0 -77.2 -30.7 46.7 62.2 14.5 77 82 A V H >X S+ 0 0 32 -4,-1.8 3,-1.2 -5,-0.1 4,-1.0 0.841 100.5 67.3 -98.1 -38.1 45.3 61.2 11.2 78 83 A E H >X S+ 0 0 28 -4,-2.4 4,-2.7 1,-0.3 3,-0.6 0.858 92.3 63.9 -56.1 -39.0 47.8 62.3 8.5 79 84 A P H 3> S+ 0 0 38 0, 0.0 4,-2.7 0, 0.0 -1,-0.3 0.829 98.1 55.7 -56.8 -31.9 50.4 59.7 9.6 80 85 A F H <> S+ 0 0 38 -3,-1.2 4,-1.8 -4,-0.2 30,-0.3 0.859 110.9 44.0 -70.7 -33.7 48.1 56.8 8.7 81 86 A L H S+ 0 0 66 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.878 111.0 55.3 -64.0 -36.3 53.7 48.9 -2.7 90 95 A Q H X S+ 0 0 62 -4,-0.6 4,-2.1 1,-0.2 -2,-0.2 0.923 113.9 40.3 -57.5 -48.3 55.8 46.9 -0.2 91 96 A L H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.833 111.2 56.1 -73.0 -35.4 52.8 44.8 0.6 92 97 A A H X S+ 0 0 11 -4,-2.7 4,-0.6 -5,-0.3 -2,-0.2 0.945 112.7 44.1 -59.2 -43.4 51.6 44.6 -2.9 93 98 A D H >< S+ 0 0 128 -4,-2.4 3,-0.9 1,-0.2 4,-0.4 0.912 109.6 54.6 -68.1 -43.3 55.0 43.2 -3.9 94 99 A A H 3< S+ 0 0 55 -4,-2.1 -1,-0.2 1,-0.2 3,-0.2 0.837 119.2 33.9 -60.3 -33.6 55.2 40.8 -0.9 95 100 A Y H >< S+ 0 0 4 -4,-1.8 3,-2.3 1,-0.1 -1,-0.2 0.388 85.6 108.5-101.9 2.4 51.8 39.2 -1.8 96 101 A A T << S+ 0 0 51 -3,-0.9 3,-0.3 -4,-0.6 -1,-0.1 0.825 89.3 32.4 -54.5 -40.7 52.1 39.5 -5.6 97 102 A D T 3 S+ 0 0 168 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.129 124.1 46.1-103.4 18.7 52.6 35.8 -6.2 98 103 A D S < S- 0 0 63 -3,-2.3 -1,-0.2 2,-0.0 -2,-0.1 -0.269 71.6-177.9-157.8 56.8 50.5 34.6 -3.2 99 104 A I - 0 0 86 -3,-0.3 -95,-0.1 1,-0.1 -3,-0.1 -0.411 27.0-125.0 -62.9 127.3 47.2 36.5 -3.3 100 105 A P - 0 0 3 0, 0.0 -95,-0.2 0, 0.0 3,-0.1 -0.172 4.8-130.3 -74.5 168.5 45.1 35.5 -0.3 101 106 A D S S+ 0 0 73 -97,-2.5 2,-0.3 1,-0.3 -96,-0.2 0.640 93.1 15.5 -82.7 -23.5 41.5 34.2 -0.2 102 107 A L E -b 5 0A 0 -98,-1.2 -96,-2.5 19,-0.2 2,-0.5 -0.981 67.6-140.4-156.0 142.5 40.5 36.7 2.5 103 108 A V E -bd 6 123A 0 19,-2.6 21,-2.6 -2,-0.3 2,-0.4 -0.924 16.7-176.4-111.4 125.8 41.9 39.9 4.0 104 109 A L E +bd 7 124A 0 -98,-3.0 -96,-1.3 -2,-0.5 2,-0.3 -0.928 15.2 169.1-112.7 142.9 41.7 40.6 7.7 105 110 A H E -bd 8 125A 5 19,-2.3 21,-3.0 -2,-0.4 -96,-0.2 -0.977 38.3-116.9-159.6 146.6 42.9 43.9 9.1 106 111 A D E > - d 0 126A 4 -98,-2.5 3,-2.0 -2,-0.3 21,-0.2 -0.457 48.3-105.9 -68.7 151.6 43.1 46.2 12.1 107 112 A I T 3 S+ 0 0 45 19,-1.1 -1,-0.1 1,-0.3 20,-0.1 0.702 114.3 67.1 -57.1 -20.5 41.4 49.5 11.4 108 113 A T T 3 S+ 0 0 14 1,-0.1 2,-1.1 -100,-0.1 -1,-0.3 0.643 77.7 92.4 -78.2 -12.0 44.7 51.3 11.0 109 114 A S <> + 0 0 2 -3,-2.0 4,-1.0 -101,-0.2 3,-0.2 -0.667 40.6 170.2 -92.4 93.0 45.8 49.5 7.9 110 115 A Y H > S+ 0 0 18 -2,-1.1 4,-2.0 -30,-0.3 3,-0.4 0.895 79.3 60.8 -62.5 -39.2 44.7 51.5 4.8 111 116 A P H > S+ 0 0 6 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.871 98.1 57.6 -57.6 -36.6 46.8 49.2 2.5 112 117 A A H > S+ 0 0 0 -3,-0.2 4,-2.4 1,-0.2 5,-0.2 0.915 107.7 47.3 -58.8 -42.8 44.8 46.1 3.6 113 118 A R H X S+ 0 0 10 -4,-1.0 4,-1.7 -3,-0.4 -1,-0.2 0.931 114.2 46.5 -64.5 -47.3 41.6 47.8 2.4 114 119 A V H X S+ 0 0 1 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.928 114.1 47.4 -61.2 -47.8 43.2 48.8 -1.0 115 120 A L H X S+ 0 0 0 -4,-3.0 4,-3.0 2,-0.2 5,-0.2 0.884 106.8 55.9 -67.1 -39.0 44.7 45.4 -1.6 116 121 A A H X>S+ 0 0 1 -4,-2.4 5,-2.3 -5,-0.3 4,-0.9 0.935 113.4 43.1 -56.1 -43.6 41.5 43.5 -0.7 117 122 A R H ><5S+ 0 0 80 -4,-1.7 3,-0.5 1,-0.2 -2,-0.2 0.924 113.4 50.4 -70.6 -42.4 39.8 45.6 -3.4 118 123 A R H 3<5S+ 0 0 122 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.892 115.0 44.3 -60.2 -40.0 42.6 45.3 -5.9 119 124 A W H 3<5S- 0 0 40 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.586 108.4-124.7 -83.5 -13.5 42.7 41.5 -5.4 120 125 A G T <<5 + 0 0 68 -4,-0.9 -3,-0.2 -3,-0.5 -4,-0.1 0.848 67.2 126.3 69.8 38.1 38.9 41.2 -5.5 121 126 A V < - 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0 0 0 -5,-2.7 -1,-0.2 -6,-0.1 -18,-0.1 -0.941 43.4-128.9-112.2 118.0 35.0 43.7 39.3 300 321 A P - 0 0 11 0, 0.0 -18,-1.8 0, 0.0 2,-0.3 -0.297 30.8-142.8 -66.0 158.9 33.7 47.2 40.1 301 322 A X E -jk 282 323B 0 21,-1.8 23,-1.7 -20,-0.2 2,-0.6 -0.899 26.0-149.8-132.9 146.6 35.9 50.1 39.2 302 323 A I E -jk 283 324B 0 -20,-2.4 -18,-2.6 -2,-0.3 2,-0.5 -0.980 33.7-152.4-106.1 109.9 37.2 53.5 40.2 303 324 A A E +jk 284 325B 0 21,-2.8 23,-3.2 -2,-0.6 -18,-0.2 -0.785 20.0 179.3 -91.0 123.1 37.9 55.1 36.8 304 325 A V - 0 0 10 -20,-3.4 23,-0.1 -2,-0.5 2,-0.1 -0.734 19.4-176.1-122.7 76.1 40.5 57.7 36.8 305 326 A P + 0 0 2 0, 0.0 23,-0.3 0, 0.0 -19,-0.1 -0.376 22.3 164.0 -80.9 156.5 40.6 58.7 33.1 306 327 A Q + 0 0 132 -21,-0.3 2,-0.2 -2,-0.1 -20,-0.1 0.533 61.6 65.6-137.0 -29.9 43.0 61.2 31.5 307 328 A A S S- 0 0 52 -22,-0.2 2,-3.6 1,-0.1 3,-0.1 -0.216 93.5-115.2-108.6 43.7 42.9 60.8 27.7 308 329 A V S > S+ 0 0 121 1,-0.3 4,-0.9 -2,-0.2 -1,-0.1 -0.164 113.2 60.3 61.5 -53.5 39.4 61.9 26.5 309 330 A D H >> S+ 0 0 92 -2,-3.6 4,-2.7 2,-0.2 3,-0.6 0.905 102.9 53.7 -67.8 -36.1 38.5 58.4 25.2 310 331 A Q H 3> S+ 0 0 28 1,-0.3 4,-3.1 2,-0.2 -1,-0.2 0.879 102.2 56.6 -64.9 -35.4 39.0 57.2 28.7 311 332 A F H 3> S+ 0 0 79 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.802 108.6 50.6 -61.6 -27.6 36.6 59.9 29.9 312 333 A G H S+ 0 0 0 -4,-3.2 5,-1.9 2,-0.2 6,-0.5 0.921 116.6 45.3 -57.2 -47.6 31.1 52.5 33.0 318 339 A Q H ><5S+ 0 0 67 -4,-3.1 3,-1.2 1,-0.2 -1,-0.2 0.884 109.9 55.9 -64.5 -36.6 29.6 55.0 35.4 319 340 A G H 3<5S+ 0 0 67 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.837 104.0 54.3 -62.8 -30.2 26.5 55.0 33.2 320 341 A L T 3<5S- 0 0 41 -4,-1.8 -1,-0.3 -3,-0.2 -2,-0.2 0.573 114.5-120.8 -80.2 -8.6 26.2 51.3 33.7 321 342 A G T < 5S+ 0 0 17 -3,-1.2 -3,-0.2 -4,-0.4 31,-0.2 0.788 87.7 102.8 75.6 27.2 26.3 51.8 37.4 322 343 A V S > - 0 0 18 -2,-0.4 4,-1.4 -23,-0.1 3,-1.0 -0.564 32.5-113.5 -77.2 153.0 39.4 63.3 38.3 328 349 A T T 34 S+ 0 0 58 -23,-0.3 -1,-0.1 1,-0.3 -22,-0.0 0.670 119.5 62.0 -62.6 -14.7 42.9 63.1 39.5 329 350 A E T 34 S+ 0 0 154 1,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.838 110.5 37.5 -76.0 -35.1 42.1 66.2 41.5 330 351 A E T <4 S+ 0 0 75 -3,-1.0 2,-3.4 1,-0.2 5,-0.2 0.650 90.1 102.0 -83.7 -18.6 39.4 64.3 43.4 331 352 A A < + 0 0 2 -4,-1.4 2,-0.2 4,-0.1 -1,-0.2 -0.177 52.6 134.4 -73.2 55.1 41.5 61.2 43.6 332 353 A T > - 0 0 60 -2,-3.4 4,-2.8 -97,-0.1 3,-0.3 -0.577 69.6 -97.5-104.0 166.5 42.6 61.7 47.2 333 354 A A H > S+ 0 0 9 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.875 117.7 47.6 -53.1 -51.9 42.7 59.2 50.0 334 355 A D H > S+ 0 0 127 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.898 116.3 43.1 -60.9 -42.5 39.4 60.0 51.7 335 356 A L H > S+ 0 0 38 -3,-0.3 4,-2.4 -5,-0.2 -1,-0.2 0.865 113.7 52.0 -74.3 -34.9 37.4 60.0 48.4 336 357 A L H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.946 113.4 43.9 -61.9 -49.0 39.1 56.9 47.2 337 358 A R H X S+ 0 0 85 -4,-2.9 4,-2.9 -5,-0.2 5,-0.2 0.923 114.5 49.0 -62.3 -46.1 38.3 55.0 50.3 338 359 A E H X S+ 0 0 131 -4,-2.3 4,-2.0 -5,-0.3 -1,-0.2 0.919 114.4 45.8 -60.7 -44.5 34.8 56.2 50.5 339 360 A T H X S+ 0 0 9 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.903 112.2 51.5 -64.7 -44.2 34.2 55.3 46.9 340 361 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 5,-0.3 0.937 110.3 47.6 -60.5 -49.7 35.8 51.9 47.3 341 362 A L H X S+ 0 0 64 -4,-2.9 4,-1.2 1,-0.2 -1,-0.2 0.908 112.6 50.2 -58.5 -41.1 33.7 51.0 50.4 342 363 A A H < S+ 0 0 60 -4,-2.0 4,-0.3 -5,-0.2 -1,-0.2 0.848 113.0 45.5 -67.9 -34.8 30.5 52.1 48.5 343 364 A L H >< S+ 0 0 19 -4,-2.1 3,-0.7 1,-0.2 -2,-0.2 0.891 113.0 45.8 -78.6 -40.6 31.2 50.1 45.4 344 365 A V H 3< S+ 0 0 28 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.748 114.7 49.2 -77.0 -19.0 32.3 46.8 47.0 345 366 A D T 3< S+ 0 0 103 -4,-1.2 -1,-0.2 -5,-0.3 -2,-0.2 0.470 86.1 101.1 -97.3 -2.8 29.3 46.8 49.4 346 367 A D <> - 0 0 60 -3,-0.7 4,-1.7 -4,-0.3 3,-0.4 -0.743 52.5-166.0 -93.4 108.9 26.6 47.6 46.8 347 368 A P H > S+ 0 0 97 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.717 89.5 57.3 -66.5 -19.6 24.7 44.4 45.8 348 369 A E H > S+ 0 0 71 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.845 102.2 53.2 -79.5 -34.8 23.2 46.2 42.8 349 370 A V H > S+ 0 0 5 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.935 111.2 48.1 -59.7 -44.7 26.7 47.0 41.4 350 371 A A H X S+ 0 0 37 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.922 110.7 50.6 -63.9 -44.3 27.4 43.3 41.7 351 372 A R H X S+ 0 0 144 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.903 110.5 49.1 -61.2 -41.9 24.2 42.4 40.0 352 373 A R H X S+ 0 0 88 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.897 109.8 51.4 -63.7 -42.9 24.8 44.7 37.1 353 374 A L H X S+ 0 0 1 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.916 108.1 52.6 -61.6 -41.0 28.3 43.4 36.7 354 375 A R H X S+ 0 0 135 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.905 109.9 49.2 -62.3 -37.9 26.9 39.9 36.6 355 376 A R H X S+ 0 0 110 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.935 113.1 45.0 -65.4 -46.9 24.5 40.9 33.8 356 377 A I H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.902 111.5 53.2 -64.9 -41.0 27.2 42.6 31.7 357 378 A Q H X S+ 0 0 70 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.916 110.4 48.2 -59.8 -42.3 29.5 39.6 32.2 358 379 A A H X S+ 0 0 59 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.876 110.0 51.6 -65.7 -39.6 26.7 37.4 31.0 359 380 A E H X S+ 0 0 81 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.898 108.8 51.4 -64.0 -40.6 26.1 39.6 28.0 360 381 A X H X S+ 0 0 6 -4,-2.6 4,-1.2 1,-0.2 -151,-0.3 0.897 106.9 53.3 -63.1 -39.8 29.8 39.5 27.1 361 382 A A H < S+ 0 0 71 -4,-2.0 3,-0.4 1,-0.2 -1,-0.2 0.905 107.3 52.6 -61.1 -40.0 29.8 35.7 27.2 362 383 A Q H < S+ 0 0 175 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.821 102.9 57.1 -66.4 -33.8 26.8 35.8 24.8 363 384 A E H < S- 0 0 27 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.831 102.1-150.7 -63.1 -31.9 28.8 38.0 22.4 364 385 A G < - 0 0 15 -4,-1.2 -155,-2.5 -3,-0.4 -1,-0.1 -0.097 9.7-145.1 78.0 173.6 31.4 35.3 22.3 365 386 A G > + 0 0 7 -157,-0.2 4,-2.9 -4,-0.1 5,-0.2 -0.024 65.8 2.4-138.6-115.1 35.1 36.0 21.7 366 387 A T H > S+ 0 0 21 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.883 129.4 44.8 -56.2 -52.5 37.8 34.1 20.0 367 388 A R H > S+ 0 0 190 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.916 116.7 46.0 -63.3 -43.5 35.7 31.1 18.8 368 389 A R H > S+ 0 0 104 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.921 111.2 52.3 -66.7 -42.8 32.9 33.2 17.5 369 390 A A H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.934 110.0 49.0 -58.4 -46.1 35.2 35.7 15.8 370 391 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.904 110.3 51.5 -60.3 -41.4 36.9 32.8 14.0 371 392 A D H X S+ 0 0 80 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.939 110.3 48.3 -56.7 -48.6 33.5 31.4 13.0 372 393 A L H < S+ 0 0 20 -4,-2.5 4,-0.4 1,-0.2 -2,-0.2 0.845 110.6 51.2 -67.5 -32.1 32.5 34.8 11.6 373 394 A I H >< S+ 0 0 0 -4,-2.1 3,-1.4 1,-0.2 4,-0.5 0.920 109.3 50.2 -69.7 -43.4 35.8 35.2 9.7 374 395 A E H >< S+ 0 0 56 -4,-2.5 3,-1.4 1,-0.3 -2,-0.2 0.874 103.0 61.6 -58.9 -36.8 35.3 31.7 8.2 375 396 A A T 3< S+ 0 0 72 -4,-2.0 -1,-0.3 1,-0.3 4,-0.2 0.646 100.7 54.5 -66.8 -13.4 31.8 32.7 7.1 376 397 A E T < S+ 0 0 61 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.512 75.4 114.0 -97.8 -9.9 33.3 35.5 5.0 377 398 A L S < S- 0 0 23 -3,-1.4 2,-2.4 -4,-0.5 -275,-0.1 -0.494 89.1-111.4 -57.9 122.0 35.5 33.1 3.0 378 399 A P 0 0 91 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.356 360.0 360.0 -64.7 87.3 34.0 33.4 -0.4 379 400 A A 0 0 126 -2,-2.4 -2,-0.1 -4,-0.2 0, 0.0 -0.841 360.0 360.0 176.1 360.0 32.9 29.9 0.2