==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 24-APR-01 1IIR . COMPND 2 MOLECULE: GLYCOSYLTRANSFERASE GTFB; . SOURCE 2 ORGANISM_SCIENTIFIC: AMYCOLATOPSIS ORIENTALIS; . AUTHOR A.M.MULICHAK,H.C.LOSEY,C.T.WALSH,R.M.GARAVITO . 382 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16982.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 256 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 12.3 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 . 16 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 142 37.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.4 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 0 2 0 1 0 1 2 0 2 2 0 1 0 0 0 0 0 1 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 5 3 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 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 1 A M 0 0 94 0, 0.0 29,-3.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 126.9 36.7 46.7 41.5 2 2 A R E -a 30 0A 72 85,-0.4 87,-3.2 27,-0.2 88,-0.8 -0.941 360.0-154.7-118.0 135.2 37.9 49.9 39.8 3 3 A V E -ab 31 90A 0 27,-2.6 29,-1.7 -2,-0.4 2,-0.5 -0.886 8.9-145.3-108.1 135.7 36.8 53.5 40.6 4 4 A L E -ab 32 91A 0 86,-2.8 88,-2.4 -2,-0.4 2,-0.5 -0.857 8.4-162.3-101.6 132.4 37.0 56.3 38.0 5 5 A L E -ab 33 92A 1 27,-2.6 29,-2.6 -2,-0.5 2,-0.5 -0.969 9.5-162.9-114.1 124.9 37.8 59.8 39.2 6 6 A A E +ab 34 93A 2 86,-2.5 88,-0.7 -2,-0.5 2,-0.3 -0.934 12.7 170.9-114.6 129.6 36.9 62.5 36.7 7 7 A T - 0 0 13 27,-2.2 46,-0.1 -2,-0.5 88,-0.1 -0.997 37.0-139.9-142.0 144.6 38.3 66.1 36.8 8 8 A C - 0 0 62 -2,-0.3 -1,-0.1 86,-0.3 27,-0.1 0.701 60.1-102.3 -69.9 -24.4 38.2 69.2 34.7 9 9 A G S S+ 0 0 13 1,-0.4 5,-0.1 26,-0.1 -1,-0.0 0.047 72.5 132.8 130.7 -34.4 41.9 70.0 35.4 10 10 A S >> - 0 0 58 1,-0.1 4,-3.7 4,-0.1 3,-1.2 -0.208 60.1-127.6 -53.8 141.8 42.3 72.8 38.0 11 11 A R H 3> S+ 0 0 75 1,-0.3 4,-1.9 2,-0.2 -1,-0.1 0.830 111.4 62.3 -60.2 -30.5 44.8 72.0 40.7 12 12 A G H 34 S+ 0 0 50 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.794 116.1 29.6 -65.2 -28.0 42.0 72.9 43.2 13 13 A D H <> S+ 0 0 27 -3,-1.2 4,-1.3 2,-0.1 -2,-0.2 0.785 118.7 55.9 -98.5 -37.0 39.9 70.0 41.8 14 14 A T H X S+ 0 0 5 -4,-3.7 4,-2.0 1,-0.2 -3,-0.2 0.939 103.0 50.4 -64.6 -52.1 42.8 67.7 40.7 15 15 A E H X S+ 0 0 76 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.891 108.1 51.8 -58.5 -43.1 44.7 67.3 44.0 16 16 A P H > S+ 0 0 19 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.908 112.3 47.0 -61.8 -37.5 41.6 66.4 46.1 17 17 A L H X S+ 0 0 0 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.829 109.0 54.3 -72.3 -30.1 40.7 63.7 43.7 18 18 A V H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.916 107.6 51.4 -67.3 -39.6 44.3 62.4 43.6 19 19 A A H X S+ 0 0 1 -4,-2.5 4,-2.0 185,-0.3 -2,-0.2 0.929 111.3 46.6 -61.3 -45.1 44.0 62.2 47.4 20 20 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 5,-0.3 0.914 109.2 55.8 -63.0 -42.4 40.8 60.1 47.1 21 21 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.938 108.8 46.6 -55.4 -50.1 42.4 57.9 44.4 22 22 A V H X S+ 0 0 15 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.893 113.8 47.8 -60.7 -41.7 45.3 57.0 46.7 23 23 A R H X S+ 0 0 63 -4,-2.0 4,-0.6 2,-0.2 -1,-0.2 0.817 110.8 51.0 -70.8 -30.5 43.0 56.3 49.7 24 24 A V H ><>S+ 0 0 0 -4,-2.4 5,-1.5 1,-0.2 3,-0.7 0.892 111.6 48.2 -71.6 -38.9 40.7 54.2 47.6 25 25 A R H ><5S+ 0 0 91 -4,-2.3 3,-1.9 -5,-0.3 -2,-0.2 0.836 102.4 63.0 -68.9 -32.4 43.7 52.2 46.3 26 26 A D H 3<5S+ 0 0 94 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.768 99.6 56.5 -62.2 -24.2 44.9 51.9 49.9 27 27 A L T <<5S- 0 0 65 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.392 127.6 -96.8 -89.7 3.0 41.7 49.9 50.5 28 28 A G T < 5S+ 0 0 69 -3,-1.9 -3,-0.2 1,-0.3 2,-0.2 0.402 84.1 122.9 100.5 -2.8 42.5 47.4 47.8 29 29 A A < - 0 0 7 -5,-1.5 -1,-0.3 1,-0.1 2,-0.2 -0.499 60.6-115.3 -90.7 162.5 40.4 48.8 44.9 30 30 A D E -a 2 0A 82 -29,-3.1 -27,-2.6 -2,-0.2 2,-0.3 -0.645 30.8-159.5 -93.0 153.6 41.8 49.9 41.5 31 31 A V E +a 3 0A 8 -2,-0.2 2,-0.3 -29,-0.2 -27,-0.2 -0.957 15.7 179.7-136.6 154.7 41.7 53.5 40.4 32 32 A R E -a 4 0A 49 -29,-1.7 -27,-2.6 -2,-0.3 2,-0.5 -0.971 13.5-154.7-151.3 134.8 41.9 55.4 37.1 33 33 A M E -ac 5 50A 0 16,-3.1 18,-2.8 -2,-0.3 2,-0.6 -0.961 5.9-154.7-125.4 132.0 41.7 59.2 36.7 34 34 A C E +ac 6 51A 4 -29,-2.6 -27,-2.2 -2,-0.5 16,-0.1 -0.865 39.2 133.0 -98.6 121.8 40.6 61.2 33.7 35 35 A A E - c 0 52A 0 16,-1.3 18,-1.9 -2,-0.6 -27,-0.1 -0.972 58.4 -60.2-159.6 169.3 42.2 64.7 33.6 36 36 A P > - 0 0 4 0, 0.0 3,-2.3 0, 0.0 4,-0.2 -0.139 54.3-108.2 -53.9 151.9 44.0 67.2 31.4 37 37 A P G > S+ 0 0 75 0, 0.0 3,-1.7 0, 0.0 4,-0.2 0.788 116.1 68.4 -52.7 -30.5 47.3 66.0 29.8 38 38 A D G 3 S+ 0 0 116 1,-0.3 4,-0.3 2,-0.1 3,-0.3 0.539 87.5 65.8 -69.7 -6.8 49.2 68.3 32.1 39 39 A C G <> S+ 0 0 9 -3,-2.3 4,-2.6 1,-0.2 -1,-0.3 0.447 73.1 96.7 -92.7 -1.6 48.3 66.2 35.1 40 40 A A H <> S+ 0 0 46 -3,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.899 81.4 50.5 -52.6 -47.2 50.3 63.3 33.8 41 41 A E H > S+ 0 0 66 -3,-0.3 4,-1.8 -4,-0.2 -1,-0.2 0.948 112.1 44.4 -58.8 -54.5 53.3 64.2 35.9 42 42 A R H > S+ 0 0 60 -4,-0.3 4,-1.3 1,-0.2 -1,-0.2 0.908 114.5 49.7 -58.6 -44.0 51.4 64.5 39.2 43 43 A L H <>S+ 0 0 1 -4,-2.6 5,-2.8 1,-0.2 4,-0.3 0.807 107.6 54.7 -66.8 -28.5 49.5 61.3 38.5 44 44 A A H ><5S+ 0 0 72 -4,-1.8 3,-0.8 -5,-0.3 -1,-0.2 0.868 100.8 61.0 -70.7 -36.0 52.8 59.5 37.7 45 45 A E H 3<5S+ 0 0 129 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.901 114.6 32.8 -55.9 -44.9 54.1 60.6 41.1 46 46 A V T 3<5S- 0 0 24 -4,-1.3 -1,-0.3 2,-0.1 -2,-0.2 0.353 111.0-120.1 -95.1 4.6 51.4 58.6 42.8 47 47 A G T < 5 + 0 0 50 -3,-0.8 -3,-0.2 -4,-0.3 -4,-0.1 0.867 57.0 155.4 60.3 39.0 51.2 55.9 40.2 48 48 A V < - 0 0 6 -5,-2.8 -1,-0.2 -6,-0.1 -16,-0.1 -0.876 50.6-109.7-101.7 122.3 47.6 56.5 39.3 49 49 A P - 0 0 69 0, 0.0 -16,-3.1 0, 0.0 2,-0.5 -0.215 37.6-149.9 -49.3 130.7 46.5 55.5 35.8 50 50 A H E -c 33 0A 45 -18,-0.2 -16,-0.2 -16,-0.1 -10,-0.0 -0.923 18.6-168.2-115.7 128.2 45.8 58.6 33.8 51 51 A V E -c 34 0A 39 -18,-2.8 -16,-1.3 -2,-0.5 2,-0.3 -0.913 27.2-136.8-110.9 100.1 43.3 59.0 30.9 52 52 A P E +c 35 0A 75 0, 0.0 2,-0.3 0, 0.0 -18,-0.1 -0.418 38.1 160.9 -61.0 120.0 44.2 62.3 29.2 53 53 A V + 0 0 14 -18,-1.9 24,-0.1 -2,-0.3 -46,-0.0 -0.994 35.1 3.0-144.6 149.3 41.0 64.2 28.5 54 54 A G 0 0 24 -2,-0.3 -1,-0.1 1,-0.2 -19,-0.1 0.268 360.0 360.0 63.0 165.6 39.8 67.7 27.8 55 55 A P 0 0 150 0, 0.0 -1,-0.2 0, 0.0 -17,-0.1 0.426 360.0 360.0 -51.7 360.0 42.1 70.8 27.4 56 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 57 63 A R 0 0 145 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-104.4 43.6 84.8 24.7 58 64 A A + 0 0 101 2,-0.1 0, 0.0 0, 0.0 0, 0.0 0.405 360.0 49.8-101.1 -1.4 44.6 87.7 22.5 59 65 A K S S- 0 0 176 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.940 93.2 -91.0-136.2 157.8 41.1 89.0 22.2 60 66 A P - 0 0 115 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.158 43.8-110.2 -62.3 161.8 38.2 89.8 24.6 61 67 A L - 0 0 116 -4,-0.1 2,-0.3 4,-0.0 3,-0.0 -0.710 33.9-170.0 -93.0 146.3 35.6 87.1 25.5 62 68 A T > - 0 0 77 -2,-0.3 4,-2.1 1,-0.0 3,-0.4 -0.790 42.1 -97.5-127.6 172.0 32.1 87.4 24.2 63 69 A A H > S+ 0 0 59 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.852 124.4 59.7 -58.6 -32.8 28.9 85.5 25.0 64 70 A E H > S+ 0 0 117 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.906 105.2 47.8 -61.5 -42.8 29.6 83.4 21.9 65 71 A D H > S+ 0 0 42 -3,-0.4 4,-2.2 2,-0.2 5,-0.2 0.927 110.8 50.9 -63.5 -47.3 32.9 82.3 23.4 66 72 A V H X S+ 0 0 57 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.908 109.1 50.5 -59.1 -43.6 31.3 81.5 26.8 67 73 A R H X S+ 0 0 132 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.865 109.4 52.6 -64.1 -33.6 28.6 79.4 25.1 68 74 A R H X S+ 0 0 108 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.907 106.7 50.5 -69.2 -41.4 31.3 77.5 23.2 69 75 A F H X S+ 0 0 97 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.880 114.0 47.8 -62.8 -35.7 33.3 76.7 26.3 70 76 A T H X S+ 0 0 16 -4,-1.9 4,-2.0 -5,-0.2 5,-0.2 0.950 111.3 47.8 -69.2 -50.1 30.0 75.4 27.8 71 77 A T H X S+ 0 0 57 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.908 116.4 44.1 -57.7 -44.7 29.0 73.3 24.8 72 78 A E H X S+ 0 0 97 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.766 107.3 59.5 -74.7 -23.9 32.4 71.7 24.5 73 79 A A H X S+ 0 0 21 -4,-1.4 4,-0.8 -5,-0.2 -1,-0.2 0.907 112.7 39.3 -69.0 -41.5 32.6 71.1 28.3 74 80 A I H >X S+ 0 0 0 -4,-2.0 4,-1.5 2,-0.2 3,-0.7 0.930 114.8 52.3 -73.0 -45.8 29.5 69.0 28.1 75 81 A A H 3X S+ 0 0 19 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.878 101.3 62.1 -58.5 -39.5 30.4 67.3 24.8 76 82 A T H 3X S+ 0 0 25 -4,-2.0 4,-2.1 1,-0.2 5,-0.4 0.866 102.7 50.5 -55.4 -38.7 33.9 66.3 26.2 77 83 A Q H 4 S+ 0 0 79 1,-0.2 3,-1.2 -4,-0.2 -2,-0.2 0.888 115.7 52.0 -69.9 -38.6 36.0 54.8 27.2 84 90 A A H 3< S+ 0 0 3 -4,-1.5 -1,-0.2 1,-0.2 -3,-0.1 0.805 107.9 52.8 -67.3 -29.0 37.6 56.0 30.5 85 91 A A T >< S+ 0 0 4 -4,-2.6 3,-2.1 -5,-0.1 -1,-0.2 0.400 78.0 128.4 -88.1 2.2 34.8 54.3 32.5 86 92 A E T < S+ 0 0 54 -3,-1.2 3,-0.1 1,-0.3 -3,-0.1 -0.411 82.1 8.0 -62.3 125.4 35.4 50.9 30.8 87 93 A G T 3 S+ 0 0 62 1,-0.3 -85,-0.4 -2,-0.2 2,-0.3 0.630 101.9 129.7 78.3 14.1 35.8 48.3 33.5 88 94 A C < - 0 0 13 -3,-2.1 -1,-0.3 -87,-0.1 -85,-0.2 -0.799 47.7-160.6-105.5 146.3 34.8 50.7 36.3 89 95 A A S S+ 0 0 30 -87,-3.2 2,-0.3 -2,-0.3 -86,-0.2 0.477 75.7 5.7 -99.5 -6.6 32.2 50.1 39.0 90 96 A A E -b 3 0A 0 -88,-0.8 -86,-2.8 22,-0.2 2,-0.4 -0.982 58.3-143.0-167.7 163.7 31.8 53.8 40.0 91 97 A V E -bd 4 114A 2 22,-2.0 24,-2.2 -2,-0.3 2,-0.4 -0.999 11.4-169.6-140.8 134.8 32.7 57.3 39.1 92 98 A V E +bd 5 115A 0 -88,-2.4 -86,-2.5 -2,-0.4 2,-0.3 -0.970 14.2 165.1-124.3 139.1 33.4 60.3 41.4 93 99 A T E -bd 6 116A 4 22,-2.2 24,-1.7 -2,-0.4 2,-0.3 -0.913 14.6-170.0-146.2 172.5 33.7 63.9 40.4 94 100 A T E + d 0 117A 5 -88,-0.7 -86,-0.3 -2,-0.3 24,-0.1 -0.874 47.4 34.0-149.5 178.4 33.8 67.5 41.7 95 101 A G S S+ 0 0 16 22,-0.6 5,-0.1 -2,-0.3 -2,-0.0 -0.359 84.2 49.9 79.9-149.6 33.7 71.0 40.2 96 102 A L > - 0 0 93 1,-0.1 4,-2.5 -2,-0.1 3,-0.3 0.033 58.1-148.5 -38.6 120.8 32.0 72.5 37.2 97 103 A L H > S+ 0 0 17 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.890 95.7 60.6 -60.7 -42.0 28.4 71.6 36.9 98 104 A A H > S+ 0 0 1 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.883 112.3 38.6 -55.2 -40.4 28.4 71.6 33.1 99 105 A A H >> S+ 0 0 10 -3,-0.3 4,-2.3 2,-0.2 3,-0.8 0.917 111.8 57.7 -77.0 -43.7 31.0 68.8 33.2 100 106 A A H 3X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.3 5,-0.2 0.870 102.3 53.9 -55.5 -42.0 29.5 66.9 36.1 101 107 A I H 3X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 -1,-0.3 0.822 109.4 49.5 -65.6 -28.0 26.1 66.5 34.4 102 108 A G H S+ 0 0 2 -4,-2.1 5,-2.2 1,-0.2 4,-0.8 0.926 109.5 51.5 -62.0 -43.2 27.6 56.7 34.4 108 114 A E H ><5S+ 0 0 71 -4,-2.9 3,-0.7 1,-0.2 -1,-0.2 0.889 107.3 51.8 -60.3 -41.7 23.8 56.3 34.1 109 115 A K H 3<5S+ 0 0 114 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.854 113.6 45.0 -64.6 -34.0 24.2 54.8 30.6 110 116 A L H 3<5S- 0 0 83 -4,-1.7 -1,-0.2 2,-0.1 -2,-0.2 0.505 110.9-122.3 -87.7 -6.9 26.7 52.3 31.9 111 117 A G T <<5 + 0 0 60 -4,-0.8 -3,-0.2 -3,-0.7 -4,-0.1 0.849 66.7 130.4 69.8 33.9 24.6 51.5 35.0 112 118 A I < - 0 0 27 -5,-2.2 -1,-0.2 -6,-0.1 -22,-0.2 -0.937 62.6 -98.0-120.8 145.5 27.3 52.5 37.5 113 119 A P - 0 0 21 0, 0.0 -22,-2.0 0, 0.0 2,-0.4 -0.287 32.7-151.7 -63.2 142.2 26.9 54.8 40.6 114 120 A Y E -d 91 0A 15 -24,-0.2 2,-0.4 -22,-0.0 -22,-0.2 -0.930 9.9-169.3-116.8 138.2 27.9 58.4 40.4 115 121 A F E -d 92 0A 15 -24,-2.2 -22,-2.2 -2,-0.4 2,-0.4 -0.973 3.4-161.6-130.0 143.1 29.1 60.5 43.3 116 122 A Y E -d 93 0A 14 -2,-0.4 65,-2.5 60,-0.4 2,-0.4 -0.956 4.0-162.5-125.1 143.6 29.7 64.3 43.6 117 123 A A E -de 94 181A 0 -24,-1.7 -22,-0.6 -2,-0.4 2,-0.3 -0.986 6.2-150.5-130.7 138.5 31.7 66.3 46.1 118 124 A F E - e 0 182A 7 63,-2.6 65,-2.7 -2,-0.4 6,-0.0 -0.680 8.2-154.3 -97.6 154.5 31.7 69.9 47.1 119 125 A H S S+ 0 0 32 -2,-0.3 -1,-0.1 1,-0.2 63,-0.1 0.451 87.2 40.2-104.6 -7.0 34.8 71.8 48.4 120 126 A C S > S- 0 0 2 64,-0.1 3,-1.2 1,-0.1 -1,-0.2 -0.983 70.5-146.0-143.8 127.7 32.6 74.3 50.2 121 127 A P G > S+ 0 0 4 0, 0.0 3,-1.7 0, 0.0 71,-0.2 0.740 92.0 73.7 -67.2 -22.1 29.4 73.6 52.1 122 128 A S G 3 S+ 0 0 25 1,-0.3 4,-0.1 194,-0.1 7,-0.0 0.692 90.6 60.1 -66.2 -16.6 27.8 77.0 51.2 123 129 A Y G < S+ 0 0 68 -3,-1.2 -1,-0.3 8,-0.1 3,-0.0 0.533 78.0 105.7 -87.0 -7.7 27.2 75.6 47.7 124 130 A V S < S- 0 0 0 -3,-1.7 68,-0.1 -4,-0.2 72,-0.0 -0.621 82.4-112.3 -75.2 121.8 25.1 72.7 48.9 125 131 A P + 0 0 19 0, 0.0 71,-0.4 0, 0.0 70,-0.2 -0.223 50.0 161.3 -54.3 143.0 21.4 73.5 48.0 126 132 A S - 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0 0 25 -62,-0.6 21,-0.5 -2,-0.3 22,-0.2 0.561 64.0-108.1 -83.3 -9.8 42.9 84.7 48.2 293 309 A G + 0 0 0 1,-0.2 27,-0.3 19,-0.1 28,-0.1 0.755 51.6 169.1 93.6 24.3 41.0 82.2 50.3 294 310 A G > - 0 0 20 1,-0.1 4,-2.4 26,-0.1 5,-0.3 -0.338 45.8-113.0 -66.6 154.0 40.7 79.1 48.1 295 311 A A H > S+ 0 0 16 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.903 112.4 48.9 -55.0 -46.9 39.5 76.0 50.0 296 312 A G H > S+ 0 0 47 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.962 113.2 43.3 -60.1 -56.4 42.8 74.1 49.6 297 313 A T H > S+ 0 0 58 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.903 113.3 52.6 -59.1 -42.1 45.1 76.9 50.8 298 314 A T H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.908 111.9 46.6 -62.3 -39.9 42.8 77.8 53.7 299 315 A H H X S+ 0 0 9 -4,-2.1 4,-2.5 -5,-0.3 5,-0.2 0.921 113.1 47.8 -67.1 -44.1 42.7 74.2 54.9 300 316 A V H X S+ 0 0 25 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.925 114.7 45.8 -63.9 -43.6 46.5 73.7 54.6 301 317 A A H X>S+ 0 0 0 -4,-2.8 5,-2.3 -5,-0.2 4,-0.6 0.866 112.2 52.4 -66.6 -37.3 47.2 76.9 56.5 302 318 A A H ><5S+ 0 0 8 -4,-2.0 3,-0.9 -5,-0.3 -2,-0.2 0.935 110.7 45.4 -65.2 -46.1 44.6 76.0 59.1 303 319 A R H 3<5S+ 0 0 114 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.837 111.2 54.6 -66.3 -30.8 46.1 72.6 59.8 304 320 A A H 3<5S- 0 0 30 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.609 112.7-121.5 -77.9 -11.9 49.6 74.1 59.9 305 321 A G T <<5 + 0 0 7 -3,-0.9 -3,-0.2 -4,-0.6 55,-0.1 0.753 57.3 152.9 79.0 25.6 48.4 76.6 62.5 306 322 A A < - 0 0 3 -5,-2.3 -1,-0.2 53,-0.1 -18,-0.1 -0.754 48.6-118.9 -94.9 130.1 49.3 79.7 60.5 307 323 A P - 0 0 2 0, 0.0 -18,-2.3 0, 0.0 2,-0.3 -0.367 39.9-146.9 -59.7 143.8 47.4 83.0 61.1 308 324 A Q E -jk 289 330B 0 21,-2.0 23,-2.8 -20,-0.2 2,-0.5 -0.903 25.6-167.9-125.0 148.7 45.6 83.9 57.9 309 325 A I E -jk 290 331B 0 -20,-2.4 -18,-2.2 -2,-0.3 2,-0.5 -0.985 20.6-163.8-128.5 116.1 44.7 87.1 56.0 310 326 A L E -jk 291 332B 0 21,-2.5 23,-2.1 -2,-0.5 -18,-0.2 -0.898 18.0-172.0-110.0 131.4 42.3 86.4 53.1 311 327 A L - 0 0 0 -20,-2.4 23,-0.1 -2,-0.5 24,-0.1 -0.806 27.7-149.5-116.3 83.4 41.5 88.7 50.2 312 328 A P + 0 0 22 0, 0.0 -19,-0.1 0, 0.0 3,-0.1 -0.242 27.5 167.9 -59.8 138.6 38.6 86.9 48.5 313 329 A Q - 0 0 83 -21,-0.5 2,-0.3 1,-0.4 -20,-0.1 0.704 56.4 -14.3-117.0 -43.8 38.1 87.2 44.7 314 330 A M S > S+ 0 0 130 -22,-0.2 3,-2.4 0, 0.0 -1,-0.4 -0.940 97.1 4.4-156.2 175.8 35.6 84.6 43.6 315 331 A A T 3 S- 0 0 56 -2,-0.3 4,-0.3 1,-0.3 -21,-0.0 -0.124 122.6 -7.5 46.9-120.7 33.6 81.5 44.2 316 332 A D T 3> S+ 0 0 28 1,-0.2 4,-2.0 2,-0.1 -1,-0.3 0.399 108.8 96.2 -88.4 3.3 34.0 80.0 47.7 317 333 A Q H <> S+ 0 0 28 -3,-2.4 4,-2.5 1,-0.2 5,-0.2 0.918 80.6 53.3 -61.7 -43.3 36.7 82.4 48.7 318 334 A P H > S+ 0 0 71 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.901 107.7 54.2 -59.2 -35.9 34.4 84.9 50.5 319 335 A Y H > S+ 0 0 50 -4,-0.3 4,-2.0 1,-0.2 -2,-0.2 0.956 110.3 43.6 -60.5 -51.6 33.1 81.9 52.5 320 336 A Y H X S+ 0 0 0 -4,-2.0 4,-2.4 -27,-0.3 -1,-0.2 0.851 109.9 56.7 -65.4 -32.2 36.5 80.9 53.7 321 337 A A H X S+ 0 0 3 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.932 109.0 47.7 -62.9 -43.1 37.4 84.5 54.5 322 338 A G H X S+ 0 0 30 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.890 110.5 51.2 -64.7 -38.8 34.4 84.7 56.7 323 339 A R H X S+ 0 0 38 -4,-2.0 4,-2.4 2,-0.2 6,-0.3 0.884 106.1 54.3 -66.9 -38.8 35.2 81.4 58.4 324 340 A V H X>S+ 0 0 0 -4,-2.4 5,-1.5 2,-0.2 6,-1.0 0.913 112.3 44.4 -61.8 -40.6 38.8 82.5 59.2 325 341 A A H ><5S+ 0 0 49 -4,-1.7 3,-0.8 1,-0.2 -2,-0.2 0.934 112.8 50.9 -69.2 -45.0 37.4 85.6 60.9 326 342 A E H 3<5S+ 0 0 137 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.870 111.3 47.9 -61.0 -37.6 34.7 83.7 62.8 327 343 A L H 3<5S- 0 0 16 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.629 108.0-126.8 -78.5 -13.8 37.2 81.2 64.1 328 344 A G T <<5S+ 0 0 33 -3,-0.8 31,-0.2 -4,-0.7 30,-0.2 0.686 79.5 115.3 76.5 17.1 39.6 84.0 65.2 329 345 A V S - 0 0 76 -2,-0.2 4,-2.4 -98,-0.1 5,-0.4 -0.812 40.0-103.1-123.3 164.8 46.0 99.1 50.1 340 356 A F H > S+ 0 0 86 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.939 121.9 45.4 -57.0 -47.1 48.8 99.9 52.6 341 357 A D H > S+ 0 0 125 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.904 113.1 48.2 -64.4 -43.2 46.3 100.8 55.3 342 358 A S H > S+ 0 0 36 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.908 117.1 40.7 -67.2 -41.8 43.9 97.9 54.8 343 359 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.864 113.2 54.1 -75.5 -34.0 46.6 95.3 54.8 344 360 A S H X S+ 0 0 27 -4,-2.3 4,-2.0 -5,-0.4 -2,-0.2 0.913 109.0 49.9 -64.1 -37.6 48.5 96.9 57.6 345 361 A A H X S+ 0 0 60 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.915 111.1 48.8 -64.6 -42.8 45.3 96.8 59.6 346 362 A A H X S+ 0 0 4 -4,-1.8 4,-3.0 1,-0.2 3,-0.3 0.915 110.8 50.3 -63.3 -44.3 44.9 93.1 58.8 347 363 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.860 102.3 60.6 -63.3 -37.0 48.5 92.4 59.8 348 364 A A H < S+ 0 0 53 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.887 114.8 36.0 -58.0 -38.3 48.1 94.2 63.1 349 365 A T H >< S+ 0 0 76 -4,-1.2 3,-1.2 -3,-0.3 6,-0.3 0.924 117.6 50.2 -79.9 -48.0 45.4 91.7 64.0 350 366 A A H 3< S+ 0 0 0 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.784 108.0 53.3 -63.3 -30.5 46.8 88.6 62.4 351 367 A L T 3< S+ 0 0 37 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.1 0.428 81.2 115.3 -89.1 2.7 50.3 89.0 64.0 352 368 A T S <> S- 0 0 40 -3,-1.2 4,-2.1 -4,-0.2 5,-0.2 -0.312 75.4-121.0 -70.9 154.2 49.1 89.2 67.6 353 369 A P H > S+ 0 0 104 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.845 114.2 57.9 -63.0 -30.7 50.1 86.5 70.1 354 370 A E H > S+ 0 0 138 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.930 106.0 46.0 -64.2 -47.7 46.4 85.9 70.6 355 371 A T H > S+ 0 0 16 -6,-0.3 4,-2.8 1,-0.2 5,-0.2 0.898 113.3 50.9 -63.5 -39.8 45.7 85.2 67.0 356 372 A H H X S+ 0 0 96 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.914 109.7 49.2 -64.6 -41.8 48.7 82.9 66.9 357 373 A A H X S+ 0 0 59 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.918 113.4 47.7 -62.7 -42.5 47.6 81.0 70.0 358 374 A R H X S+ 0 0 119 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.932 111.7 48.5 -64.0 -47.8 44.1 80.6 68.5 359 375 A A H X S+ 0 0 4 -4,-2.8 4,-1.8 -31,-0.2 -1,-0.2 0.866 112.3 50.7 -61.4 -35.8 45.4 79.4 65.1 360 376 A T H X S+ 0 0 73 -4,-2.2 4,-1.0 -5,-0.2 -1,-0.2 0.913 112.2 45.5 -68.9 -42.4 47.6 76.9 66.9 361 377 A A H >X S+ 0 0 62 -4,-2.3 3,-0.7 1,-0.2 4,-0.5 0.947 113.1 48.8 -65.9 -49.8 44.8 75.5 69.0 362 378 A V H >X S+ 0 0 9 -4,-2.8 3,-1.8 1,-0.2 4,-0.6 0.880 101.7 65.9 -57.7 -39.2 42.4 75.3 66.1 363 379 A A H >< S+ 0 0 8 -4,-1.8 3,-1.1 1,-0.3 -1,-0.2 0.851 94.1 58.1 -52.3 -40.6 45.0 73.5 64.0 364 380 A G H << S+ 0 0 59 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.735 105.3 51.0 -65.0 -21.3 45.0 70.5 66.2 365 381 A T H << S+ 0 0 80 -3,-1.8 2,-0.5 -4,-0.5 -1,-0.2 0.512 81.7 103.4 -94.6 -7.8 41.3 70.0 65.6 366 382 A I S << S- 0 0 6 -3,-1.1 2,-0.1 -4,-0.6 -181,-0.0 -0.648 71.7-133.3 -74.7 124.5 41.4 70.0 61.8 367 383 A R - 0 0 95 -2,-0.5 -164,-0.3 1,-0.1 3,-0.1 -0.472 20.3-169.3 -81.2 153.6 41.1 66.4 60.6 368 384 A T S S+ 0 0 84 -2,-0.1 3,-0.3 1,-0.1 -163,-0.3 0.335 71.5 77.3-121.6 4.7 43.5 65.0 58.0 369 385 A D > + 0 0 70 1,-0.2 4,-2.4 2,-0.1 3,-0.3 0.177 54.5 116.5-102.6 18.1 41.8 61.7 57.2 370 386 A G H > S+ 0 0 0 -167,-0.5 4,-2.4 1,-0.2 -166,-0.2 0.839 74.6 51.5 -54.9 -40.6 39.0 63.1 55.0 371 387 A A H > S+ 0 0 2 -168,-0.6 4,-2.5 -3,-0.3 -1,-0.2 0.892 111.7 48.0 -65.7 -37.7 40.1 61.3 51.8 372 388 A A H > S+ 0 0 41 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.887 109.9 52.9 -68.4 -39.3 40.2 58.0 53.7 373 389 A V H X S+ 0 0 37 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.930 112.8 44.3 -60.5 -45.3 36.8 58.7 55.2 374 390 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.901 109.0 56.7 -66.8 -41.1 35.4 59.3 51.7 375 391 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.901 109.0 46.9 -57.6 -42.3 37.2 56.2 50.3 376 392 A R H X S+ 0 0 116 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.915 111.6 49.4 -66.9 -44.0 35.5 54.0 52.9 377 393 A L H X S+ 0 0 61 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.866 111.7 51.7 -62.9 -35.3 32.1 55.5 52.2 378 394 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.956 110.4 45.2 -66.4 -52.7 32.6 55.0 48.5 379 395 A L H X S+ 0 0 19 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.879 112.6 51.6 -60.9 -38.8 33.6 51.3 48.7 380 396 A D H X S+ 0 0 61 -4,-2.3 4,-0.5 2,-0.2 -1,-0.2 0.906 111.2 48.5 -64.6 -39.5 30.7 50.6 51.1 381 397 A A H >< S+ 0 0 9 -4,-1.8 3,-1.1 1,-0.2 4,-0.3 0.913 110.8 49.6 -65.3 -43.1 28.3 52.2 48.6 382 398 A V H >< S+ 0 0 16 -4,-2.6 3,-1.2 1,-0.3 -1,-0.2 0.824 104.9 59.2 -65.7 -30.8 29.7 50.3 45.7 383 399 A S H 3< S+ 0 0 99 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.655 97.2 62.1 -72.0 -15.0 29.3 47.1 47.7 384 400 A R T << 0 0 184 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.2 0.558 360.0 360.0 -86.6 -8.9 25.6 47.8 47.9 385 401 A E < 0 0 152 -3,-1.2 -273,-0.0 -4,-0.3 -3,-0.0 -0.129 360.0 360.0 -69.8 360.0 25.2 47.6 44.1