==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 17-JUL-06 2IYF . COMPND 2 MOLECULE: OLEANDOMYCIN GLYCOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES ANTIBIOTICUS; . AUTHOR D.N.BOLAM,S.M.ROBERTS,M.R.PROCTOR,J.P.TURKENBURG,E.J.DODSON, . 777 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34012.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 552 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 108 13.9 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 . 51 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 102 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 258 33.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.8 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 3 5 2 0 0 3 6 2 2 2 0 0 2 2 0 0 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 8 10 2 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 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 2 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 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 7 A A 0 0 58 0, 0.0 29,-2.7 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 157.8 -27.9 -20.2 -44.8 2 8 A H E -a 30 0A 4 27,-0.2 97,-2.7 95,-0.1 98,-1.2 -0.906 360.0-173.6 -98.6 111.7 -29.3 -17.7 -42.2 3 9 A I E -ab 31 100A 0 27,-2.3 29,-2.3 -2,-0.7 2,-0.6 -0.930 8.1-158.0-107.8 124.9 -26.4 -16.5 -40.1 4 10 A A E -ab 32 101A 0 96,-2.6 98,-2.9 -2,-0.5 2,-0.3 -0.911 5.8-162.9-107.6 118.7 -27.3 -14.3 -37.1 5 11 A M E -ab 33 102A 0 27,-3.4 29,-3.0 -2,-0.6 2,-0.4 -0.771 5.6-164.3 -97.5 146.4 -24.5 -12.1 -35.7 6 12 A F E +ab 34 103A 0 96,-1.4 98,-2.4 -2,-0.3 2,-0.3 -0.997 20.9 137.7-132.1 129.6 -24.8 -10.5 -32.2 7 13 A S - 0 0 0 27,-2.2 2,-0.2 -2,-0.4 7,-0.1 -0.883 41.4-107.1-149.7-169.2 -22.9 -7.7 -30.6 8 14 A I - 0 0 2 -2,-0.3 2,-1.9 2,-0.2 5,-0.1 -0.704 45.1 -91.3-115.1 167.8 -23.1 -4.6 -28.4 9 15 A A S S+ 0 0 8 -2,-0.2 2,-0.4 49,-0.1 3,-0.1 -0.532 83.7 115.8 -84.8 70.8 -22.8 -0.9 -29.4 10 16 A A >> - 0 0 11 -2,-1.9 3,-1.9 1,-0.1 4,-0.5 -0.986 64.5-137.4-138.5 129.9 -19.1 -0.6 -28.9 11 17 A H H >> S+ 0 0 67 -2,-0.4 4,-2.4 49,-0.3 3,-1.8 0.906 104.1 54.6 -50.9 -45.0 -16.6 0.2 -31.6 12 18 A G H 34 S+ 0 0 47 1,-0.3 -1,-0.3 2,-0.2 -3,-0.1 0.543 111.5 45.7 -72.5 -7.7 -14.1 -2.3 -30.4 13 19 A H H <4 S+ 0 0 40 -3,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.293 123.9 30.7-111.4 4.6 -16.7 -5.1 -30.5 14 20 A V H XX S+ 0 0 0 -3,-1.8 3,-1.2 -4,-0.5 4,-1.0 0.641 108.8 59.5-126.0 -50.4 -18.2 -4.3 -33.9 15 21 A N G >< S+ 0 0 70 -4,-2.4 3,-0.8 1,-0.2 4,-0.5 0.872 96.5 64.3 -51.4 -43.1 -15.5 -2.8 -36.1 16 22 A P G 34 S+ 0 0 37 0, 0.0 192,-0.6 0, 0.0 -1,-0.2 0.776 114.0 29.3 -56.1 -31.1 -13.2 -5.9 -35.9 17 23 A S G X> S+ 0 0 4 -3,-1.2 4,-2.0 1,-0.1 3,-0.6 0.430 86.9 102.6-112.0 3.5 -15.6 -8.2 -37.7 18 24 A L H S+ 0 0 67 189,-0.5 4,-2.5 -4,-0.5 -1,-0.2 0.854 107.7 53.1 -65.7 -31.7 -15.6 -7.0 -43.1 20 26 A V H <> S+ 0 0 0 -3,-0.6 4,-2.1 188,-0.2 -1,-0.2 0.898 109.7 48.5 -67.2 -40.4 -16.3 -10.7 -42.2 21 27 A I H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.966 111.0 51.2 -64.5 -48.4 -20.0 -9.9 -42.1 22 28 A R H X S+ 0 0 90 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.907 110.4 49.2 -50.2 -49.7 -19.7 -8.1 -45.5 23 29 A E H X S+ 0 0 49 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.852 107.5 53.1 -62.9 -39.5 -17.9 -11.1 -47.0 24 30 A L H <>S+ 0 0 0 -4,-2.1 5,-2.0 2,-0.2 -1,-0.2 0.883 112.4 46.1 -63.1 -37.7 -20.6 -13.6 -45.8 25 31 A V H ><5S+ 0 0 39 -4,-2.1 3,-2.5 1,-0.2 -2,-0.2 0.949 109.0 54.4 -66.1 -50.3 -23.2 -11.4 -47.4 26 32 A A H 3<5S+ 0 0 76 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.803 103.6 58.5 -50.2 -32.5 -21.2 -11.1 -50.6 27 33 A R T 3<5S- 0 0 75 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.469 125.3-100.7 -82.6 -2.2 -21.1 -14.9 -50.7 28 34 A G T < 5S+ 0 0 63 -3,-2.5 -3,-0.2 1,-0.3 2,-0.2 0.549 73.7 139.6 98.6 9.8 -24.9 -15.1 -50.7 29 35 A H < - 0 0 30 -5,-2.0 2,-0.8 1,-0.0 -1,-0.3 -0.531 57.2-119.0 -82.2 153.4 -25.8 -15.9 -47.1 30 36 A R E -a 2 0A 123 -29,-2.7 -27,-2.3 -2,-0.2 2,-0.5 -0.851 39.8-169.8 -89.8 109.3 -28.7 -14.3 -45.4 31 37 A V E -a 3 0A 7 -2,-0.8 18,-2.5 16,-0.2 2,-0.3 -0.881 13.9-175.9-112.3 126.2 -27.2 -12.4 -42.5 32 38 A T E -ac 4 49A 1 -29,-2.3 -27,-3.4 -2,-0.5 2,-0.4 -0.853 11.5-153.2-112.9 155.9 -29.0 -10.7 -39.6 33 39 A Y E -ac 5 50A 0 16,-2.5 18,-2.4 -2,-0.3 2,-0.5 -0.894 7.0-147.7-139.2 101.7 -27.2 -8.6 -37.0 34 40 A A E +ac 6 51A 0 -29,-3.0 -27,-2.2 -2,-0.4 18,-0.2 -0.578 43.0 145.5 -67.4 118.4 -28.5 -8.2 -33.4 35 41 A I E - c 0 52A 0 16,-2.1 18,-1.1 -2,-0.5 -27,-0.1 -0.994 53.6 -97.1-157.9 145.5 -27.4 -4.7 -32.5 36 42 A P > - 0 0 6 0, 0.0 3,-1.8 0, 0.0 4,-0.2 -0.396 46.5-107.2 -66.5 152.2 -28.5 -1.7 -30.4 37 43 A P G > S+ 0 0 74 0, 0.0 3,-2.0 0, 0.0 4,-0.4 0.801 113.5 68.0 -57.4 -32.9 -30.1 1.1 -32.5 38 44 A V G 3 S+ 0 0 97 1,-0.3 4,-0.3 2,-0.1 3,-0.2 0.830 108.5 40.0 -54.8 -29.9 -27.2 3.5 -32.3 39 45 A F G <> S+ 0 0 10 -3,-1.8 4,-2.3 1,-0.2 -1,-0.3 0.266 82.5 106.6-103.6 10.4 -25.2 1.1 -34.5 40 46 A A H <> S+ 0 0 15 -3,-2.0 4,-2.5 -4,-0.2 5,-0.2 0.941 84.6 43.6 -51.1 -53.3 -28.0 0.0 -36.9 41 47 A D H > S+ 0 0 142 -4,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.915 111.4 54.2 -61.5 -46.9 -26.5 2.1 -39.8 42 48 A K H 4 S+ 0 0 72 -4,-0.3 -1,-0.2 1,-0.2 3,-0.2 0.916 115.6 39.9 -48.8 -50.6 -22.9 0.9 -39.1 43 49 A V H >< S+ 0 0 0 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.875 109.1 59.1 -72.0 -38.7 -24.1 -2.7 -39.3 44 50 A A H >< S+ 0 0 41 -4,-2.5 3,-2.3 1,-0.3 -1,-0.2 0.792 88.9 74.7 -63.6 -28.0 -26.5 -2.3 -42.3 45 51 A A T 3< S+ 0 0 70 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.659 89.4 60.4 -61.7 -17.5 -23.6 -1.0 -44.5 46 52 A T T < S- 0 0 6 -3,-1.6 -1,-0.3 -4,-0.2 -21,-0.2 0.564 120.2-106.0 -84.5 -13.4 -22.4 -4.6 -44.7 47 53 A G S < S+ 0 0 54 -3,-2.3 -16,-0.2 1,-0.4 -3,-0.1 0.232 82.4 126.8 98.0 -11.6 -25.6 -5.9 -46.3 48 54 A P - 0 0 4 0, 0.0 -1,-0.4 0, 0.0 -16,-0.2 -0.486 64.5-118.3 -70.1 149.8 -26.7 -7.6 -43.0 49 55 A R E -c 32 0A 130 -18,-2.5 -16,-2.5 -2,-0.1 2,-0.2 -0.838 27.4-125.7 -92.9 122.0 -30.2 -6.7 -41.7 50 56 A P E -c 33 0A 35 0, 0.0 2,-0.6 0, 0.0 -16,-0.2 -0.471 16.6-161.5 -70.6 130.8 -30.1 -5.0 -38.3 51 57 A V E -c 34 0A 15 -18,-2.4 -16,-2.1 -2,-0.2 2,-0.2 -0.954 24.4-140.0-112.9 103.7 -32.2 -6.7 -35.6 52 58 A L E +c 35 0A 92 -2,-0.6 2,-0.3 -18,-0.2 -18,-0.1 -0.458 28.6 166.5 -81.0 138.2 -32.7 -4.0 -33.0 53 59 A Y - 0 0 6 -18,-1.1 2,-0.4 -2,-0.2 32,-0.1 -0.992 37.6-107.8-143.0 152.2 -32.6 -4.5 -29.2 54 60 A H - 0 0 65 -2,-0.3 2,-0.3 -18,-0.2 34,-0.1 -0.661 34.1-157.9 -81.9 130.7 -32.3 -2.1 -26.2 55 61 A S - 0 0 25 -2,-0.4 26,-0.0 2,-0.1 27,-0.0 -0.845 19.9-161.4-109.0 146.1 -28.9 -2.1 -24.4 56 62 A T + 0 0 74 -2,-0.3 3,-0.1 21,-0.1 -1,-0.1 0.393 63.6 103.7-100.7 1.3 -28.1 -1.0 -20.8 57 63 A L S S- 0 0 18 1,-0.2 -2,-0.1 21,-0.1 10,-0.1 -0.344 87.4 -79.5 -78.8 162.9 -24.4 -0.7 -21.5 58 64 A P - 0 0 33 0, 0.0 -1,-0.2 0, 0.0 -49,-0.1 -0.235 57.3 -99.2 -57.2 151.8 -22.7 2.7 -21.9 59 65 A G > - 0 0 39 1,-0.1 3,-1.4 -3,-0.1 7,-0.1 -0.204 34.7-101.3 -66.7 165.3 -23.1 4.2 -25.4 60 66 A P T 3 S+ 0 0 29 0, 0.0 -49,-0.3 0, 0.0 -1,-0.1 0.687 122.5 49.1 -61.8 -21.3 -20.3 3.9 -28.1 61 67 A D T 3 S+ 0 0 149 -51,-0.1 -51,-0.1 -50,-0.0 -2,-0.0 0.382 84.7 119.7-100.1 -0.3 -19.1 7.5 -27.4 62 68 A A S < S- 0 0 43 -3,-1.4 5,-0.0 1,-0.1 0, 0.0 -0.283 74.3 -95.5 -63.0 151.2 -19.0 7.2 -23.5 63 69 A D > - 0 0 114 1,-0.1 3,-1.9 2,-0.0 4,-0.3 -0.293 35.5-110.7 -59.5 150.8 -15.7 7.7 -21.7 64 70 A P G > S+ 0 0 104 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.808 117.4 65.4 -53.7 -30.0 -13.7 4.5 -20.9 65 71 A E G > S+ 0 0 128 1,-0.3 3,-1.9 2,-0.2 -2,-0.0 0.700 81.4 75.7 -68.3 -20.5 -14.5 5.1 -17.2 66 72 A A G < S+ 0 0 57 -3,-1.9 -1,-0.3 1,-0.3 3,-0.1 0.708 90.2 60.7 -61.3 -18.7 -18.2 4.5 -17.9 67 73 A W G < S- 0 0 58 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.383 116.6-103.3 -92.4 3.5 -17.3 0.8 -18.1 68 74 A G < - 0 0 23 -3,-1.9 -1,-0.2 1,-0.1 -2,-0.1 0.016 12.1-126.6 92.4 160.7 -16.0 0.6 -14.5 69 75 A S S S+ 0 0 99 -3,-0.1 2,-0.3 -4,-0.0 -1,-0.1 0.154 82.7 64.8-134.8 15.3 -12.6 0.5 -12.9 70 76 A T S > S- 0 0 70 1,-0.1 4,-2.3 0, 0.0 5,-0.2 -0.930 89.5-105.4-131.9 163.4 -12.9 -2.6 -10.7 71 77 A L H > S+ 0 0 41 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.933 120.7 40.3 -51.9 -54.0 -13.3 -6.3 -11.5 72 78 A L H > S+ 0 0 13 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.881 113.2 53.3 -68.6 -38.8 -16.9 -6.4 -10.5 73 79 A D H 4 S+ 0 0 66 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.833 112.1 48.7 -61.7 -30.6 -17.8 -3.0 -12.0 74 80 A N H < S+ 0 0 68 -4,-2.3 4,-0.3 -3,-0.2 -2,-0.2 0.910 121.5 30.5 -70.8 -49.3 -16.3 -4.3 -15.3 75 81 A V H >X S+ 0 0 32 -4,-2.3 3,-1.1 -5,-0.2 4,-1.1 0.851 105.1 69.1 -86.9 -36.9 -18.1 -7.7 -15.4 76 82 A E H >X S+ 0 0 26 -4,-2.6 4,-2.6 1,-0.2 3,-0.6 0.878 92.3 60.2 -51.4 -43.0 -21.4 -7.1 -13.7 77 83 A P H 3> S+ 0 0 39 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.827 100.1 56.0 -56.9 -32.3 -22.8 -4.8 -16.5 78 84 A F H <> S+ 0 0 39 -3,-1.1 4,-1.6 -4,-0.3 30,-0.3 0.858 110.3 44.7 -71.0 -33.8 -22.5 -7.6 -19.1 79 85 A L H S+ 0 0 63 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.884 110.5 53.4 -61.3 -35.5 -36.0 -11.9 -23.9 88 94 A Q H X S+ 0 0 41 -4,-0.6 4,-2.1 1,-0.2 -2,-0.2 0.929 114.7 41.3 -61.6 -46.1 -36.0 -9.1 -26.6 89 95 A L H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.853 110.5 54.8 -71.9 -35.6 -33.8 -11.3 -28.8 90 96 A A H X S+ 0 0 16 -4,-2.7 4,-0.7 -5,-0.2 -2,-0.2 0.949 113.0 45.8 -58.8 -45.9 -35.6 -14.5 -28.1 91 97 A D H >< S+ 0 0 128 -4,-2.3 3,-0.6 -5,-0.2 4,-0.3 0.898 110.3 53.1 -62.5 -43.2 -38.8 -12.7 -29.3 92 98 A A H 3< S+ 0 0 56 -4,-2.1 3,-0.3 1,-0.2 -1,-0.2 0.866 118.1 34.7 -63.2 -37.4 -37.2 -11.1 -32.3 93 99 A Y H >< S+ 0 0 5 -4,-2.0 3,-2.3 1,-0.2 -1,-0.2 0.414 85.1 107.7 -97.3 -2.4 -35.9 -14.5 -33.7 94 100 A A T << S+ 0 0 53 -4,-0.7 3,-0.3 -3,-0.6 -1,-0.2 0.798 89.2 32.8 -52.2 -38.1 -38.8 -16.7 -32.6 95 101 A D T 3 S+ 0 0 168 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.210 125.9 42.8-103.6 12.0 -40.3 -17.1 -36.1 96 102 A D S < S- 0 0 52 -3,-2.3 -1,-0.2 2,-0.0 -2,-0.1 -0.329 73.2-174.5-156.9 62.7 -36.9 -17.1 -37.9 97 103 A I - 0 0 79 -3,-0.3 -95,-0.1 1,-0.1 -3,-0.1 -0.436 26.6-122.1 -68.5 125.9 -34.4 -19.2 -36.0 98 104 A P - 0 0 2 0, 0.0 -95,-0.2 0, 0.0 3,-0.1 -0.181 2.1-132.8 -64.9 160.9 -30.9 -18.9 -37.6 99 105 A D S S+ 0 0 69 -97,-2.7 2,-0.3 1,-0.3 -96,-0.2 0.678 92.4 13.9 -81.7 -26.6 -28.8 -21.8 -38.9 100 106 A L E -b 3 0A 0 -98,-1.2 -96,-2.6 19,-0.2 2,-0.5 -0.984 69.4-140.2-151.8 142.3 -25.7 -20.5 -37.1 101 107 A V E -bd 4 121A 0 19,-2.7 21,-2.3 -2,-0.3 2,-0.4 -0.932 15.7-173.8-105.9 129.4 -25.1 -17.9 -34.4 102 108 A L E +bd 5 122A 0 -98,-2.9 -96,-1.4 -2,-0.5 2,-0.3 -0.953 16.7 169.6-113.9 142.1 -22.0 -15.6 -34.6 103 109 A H E -bd 6 123A 5 19,-2.2 21,-2.9 -2,-0.4 -96,-0.2 -0.991 36.6-117.5-156.5 146.8 -21.2 -13.4 -31.7 104 110 A D E > - d 0 124A 4 -98,-2.4 3,-1.8 -2,-0.3 21,-0.2 -0.441 46.6-103.7 -68.8 154.3 -18.7 -11.0 -30.2 105 111 A I T 3 S+ 0 0 43 19,-1.1 -1,-0.1 1,-0.3 20,-0.1 0.713 115.7 63.8 -50.1 -27.4 -17.4 -12.2 -26.8 106 112 A T T 3 S+ 0 0 15 1,-0.1 2,-1.2 -93,-0.1 -1,-0.3 0.607 79.0 92.4 -80.7 -11.9 -19.6 -9.6 -24.9 107 113 A S <> + 0 0 3 -3,-1.8 4,-1.0 -101,-0.2 3,-0.1 -0.662 39.6 169.2 -92.5 92.1 -23.0 -11.1 -25.9 108 114 A Y H > S+ 0 0 22 -2,-1.2 4,-2.1 -30,-0.3 3,-0.4 0.886 78.5 62.5 -62.4 -41.0 -24.2 -13.6 -23.3 109 115 A P H > S+ 0 0 6 0, 0.0 4,-3.3 0, 0.0 5,-0.3 0.902 98.2 56.5 -52.9 -40.1 -27.6 -13.7 -25.0 110 116 A A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.899 108.0 48.0 -55.5 -42.2 -26.0 -15.1 -28.2 111 117 A R H X S+ 0 0 14 -4,-1.0 4,-1.8 -3,-0.4 -1,-0.2 0.938 114.1 45.7 -63.1 -47.3 -24.6 -18.0 -26.2 112 118 A V H X S+ 0 0 2 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.934 114.9 47.2 -63.6 -47.5 -27.9 -18.8 -24.5 113 119 A L H X S+ 0 0 0 -4,-3.3 4,-3.3 2,-0.2 5,-0.3 0.919 108.3 53.5 -66.0 -42.2 -29.9 -18.5 -27.7 114 120 A A H X>S+ 0 0 2 -4,-2.5 5,-2.4 -5,-0.3 4,-1.0 0.936 114.2 43.7 -56.2 -45.1 -27.5 -20.7 -29.8 115 121 A R H ><5S+ 0 0 84 -4,-1.8 3,-0.5 -5,-0.2 -2,-0.2 0.940 113.8 49.7 -64.9 -48.0 -27.9 -23.4 -27.1 116 122 A R H 3<5S+ 0 0 92 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.901 115.8 43.6 -54.7 -46.3 -31.7 -22.9 -26.8 117 123 A W H 3<5S- 0 0 41 -4,-3.3 -1,-0.2 -5,-0.2 -2,-0.2 0.624 107.8-127.4 -77.2 -15.5 -32.0 -23.2 -30.6 118 124 A G T <<5 + 0 0 56 -4,-1.0 -3,-0.2 -3,-0.5 -4,-0.1 0.871 63.9 131.0 68.6 39.8 -29.6 -26.2 -30.8 119 125 A V < - 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0 0 1 -5,-2.8 -1,-0.2 -6,-0.1 -18,-0.1 -0.902 44.0-124.2-107.3 121.2 -36.4 -40.1 -11.7 704 320 B P - 0 0 14 0, 0.0 -18,-2.1 0, 0.0 2,-0.4 -0.291 36.0-146.2 -57.7 147.5 -33.9 -38.8 -14.3 705 321 B M E -uv 686 727D 0 21,-1.8 23,-2.0 -20,-0.2 2,-0.6 -0.917 27.5-158.5-128.7 143.6 -35.8 -37.1 -17.2 706 322 B I E -uv 687 728D 0 -20,-2.2 -18,-2.6 -2,-0.4 2,-0.6 -0.996 30.5-152.6-106.9 115.6 -35.6 -36.6 -20.9 707 323 B A E +uv 688 729D 0 21,-2.3 23,-2.7 -2,-0.6 -18,-0.2 -0.839 20.9 176.7 -98.3 123.7 -37.7 -33.5 -21.4 708 324 B V - 0 0 0 -20,-3.4 23,-0.1 -2,-0.6 7,-0.1 -0.743 19.7-157.4-126.1 74.6 -39.3 -33.2 -24.8 709 325 B P - 0 0 4 0, 0.0 23,-0.4 0, 0.0 -19,-0.1 -0.296 13.8-176.0 -65.1 141.8 -41.4 -30.0 -24.5 710 326 B Q - 0 0 33 -21,-0.5 2,-0.3 1,-0.3 -20,-0.1 0.783 53.6 -32.0-106.1 -39.4 -44.3 -29.8 -26.9 711 327 B A S > S+ 0 0 22 -22,-0.2 3,-1.9 -85,-0.0 4,-0.4 -0.928 96.4 17.1-165.5 180.0 -46.0 -26.4 -26.4 712 328 B V T > S- 0 0 92 -2,-0.3 3,-0.5 1,-0.2 4,-0.3 -0.003 120.6 -7.8 44.8-124.5 -46.9 -23.6 -24.0 713 329 B D T 3> S+ 0 0 85 1,-0.2 4,-1.8 2,-0.1 3,-0.3 0.473 109.8 92.7 -85.4 -2.3 -45.0 -23.5 -20.6 714 330 B Q H <> S+ 0 0 6 -3,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.820 77.6 60.6 -65.9 -32.7 -43.3 -26.8 -21.1 715 331 B F H <> S+ 0 0 100 -3,-0.5 4,-2.2 -4,-0.4 -1,-0.2 0.931 107.3 46.1 -59.4 -44.8 -40.1 -25.3 -22.7 716 332 B G H > S+ 0 0 39 -3,-0.3 4,-2.2 -4,-0.3 -2,-0.2 0.882 113.3 49.0 -64.0 -41.8 -39.5 -23.3 -19.4 717 333 B N H X S+ 0 0 33 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.917 109.6 51.9 -60.9 -44.6 -40.1 -26.3 -17.3 718 334 B A H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.897 108.6 51.7 -60.8 -42.7 -37.8 -28.4 -19.4 719 335 B D H X S+ 0 0 26 -4,-2.2 4,-3.0 2,-0.2 -552,-0.2 0.919 108.7 50.3 -60.7 -45.4 -35.1 -25.6 -19.0 720 336 B M H X S+ 0 0 22 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.926 111.8 48.8 -57.3 -45.1 -35.5 -25.7 -15.1 721 337 B L H <>S+ 0 0 0 -4,-2.4 5,-1.5 1,-0.2 6,-0.5 0.933 114.1 44.0 -62.8 -45.5 -35.1 -29.5 -15.1 722 338 B Q H ><5S+ 0 0 44 -4,-2.4 3,-1.6 1,-0.2 5,-0.3 0.910 111.3 55.1 -69.9 -37.7 -32.0 -29.5 -17.3 723 339 B G H 3<5S+ 0 0 2 -4,-3.0 -1,-0.2 -559,-0.4 -2,-0.2 0.762 100.7 59.9 -63.7 -28.2 -30.6 -26.6 -15.2 724 340 B L T 3<5S- 0 0 16 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.594 114.3-120.4 -71.2 -15.3 -31.0 -28.6 -12.1 725 341 B G T < 5S+ 0 0 17 -3,-1.6 -3,-0.2 -4,-0.3 31,-0.2 0.736 89.9 99.7 81.2 27.6 -28.7 -31.2 -13.7 726 342 B V S > - 0 0 19 -2,-0.4 4,-1.1 -23,-0.1 3,-0.8 -0.602 29.2-121.9 -70.4 140.7 -36.5 -31.0 -29.4 732 348 B T G >4 S+ 0 0 28 -23,-0.4 3,-1.2 -2,-0.3 -1,-0.1 0.932 115.0 54.2 -48.1 -49.6 -39.1 -33.5 -30.7 733 349 B E G 34 S+ 0 0 169 1,-0.3 -1,-0.3 2,-0.0 3,-0.0 0.805 111.2 44.6 -56.9 -33.4 -37.5 -33.2 -34.1 734 350 B E G <4 S+ 0 0 77 -3,-0.8 2,-2.2 1,-0.1 -1,-0.3 0.559 83.9 102.9 -90.6 -7.4 -34.0 -34.0 -32.7 735 351 B A << + 0 0 2 -3,-1.2 -1,-0.1 -4,-1.1 -100,-0.1 -0.375 50.3 165.0 -80.3 65.9 -35.2 -36.9 -30.6 736 352 B T > - 0 0 65 -2,-2.2 4,-3.0 1,-0.1 5,-0.2 -0.325 52.5-105.2 -73.2 162.8 -33.9 -39.8 -32.9 737 353 B A H > S+ 0 0 12 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.879 121.3 51.0 -57.9 -41.7 -33.6 -43.4 -31.6 738 354 B D H > S+ 0 0 134 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.922 114.3 41.9 -61.2 -47.5 -29.9 -43.1 -31.4 739 355 B L H > S+ 0 0 41 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.869 113.7 52.4 -72.4 -36.1 -29.9 -39.8 -29.4 740 356 B L H X S+ 0 0 0 -4,-3.0 4,-2.8 2,-0.2 -2,-0.2 0.945 114.0 43.6 -60.6 -48.2 -32.8 -41.0 -27.2 741 357 B R H X S+ 0 0 47 -4,-2.5 4,-2.9 -5,-0.2 5,-0.2 0.931 115.2 48.4 -63.9 -49.0 -30.8 -44.2 -26.4 742 358 B E H X S+ 0 0 127 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.926 114.5 45.4 -53.8 -52.8 -27.5 -42.4 -25.9 743 359 B T H X S+ 0 0 13 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.918 114.1 50.2 -60.8 -46.3 -29.2 -39.8 -23.6 744 360 B A H X S+ 0 0 0 -4,-2.8 4,-2.2 -5,-0.2 -2,-0.2 0.909 108.6 50.7 -55.5 -50.3 -31.0 -42.5 -21.7 745 361 B L H X S+ 0 0 79 -4,-2.9 4,-0.7 1,-0.2 -1,-0.2 0.883 112.9 47.7 -59.3 -40.2 -27.8 -44.6 -21.1 746 362 B A H X S+ 0 0 62 -4,-1.9 4,-0.5 -5,-0.2 3,-0.5 0.931 112.8 46.3 -64.5 -50.7 -26.0 -41.5 -19.8 747 363 B L H >< S+ 0 0 18 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.899 105.7 56.9 -66.0 -41.8 -28.7 -40.3 -17.4 748 364 B V H 3< S+ 0 0 24 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.749 115.0 36.0 -70.0 -21.2 -29.5 -43.6 -15.7 749 365 B D H 3< S+ 0 0 123 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.2 0.366 83.3 116.3-112.8 11.7 -26.0 -44.3 -14.5 750 366 B D S+ 0 0 103 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.825 90.3 53.4 -70.0 -26.6 -24.1 -40.7 -9.9 752 368 B E H > S+ 0 0 89 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.885 106.8 51.6 -73.7 -39.5 -24.4 -36.9 -9.7 753 369 B V H > S+ 0 0 8 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.944 112.8 47.1 -54.5 -48.4 -27.8 -36.9 -11.4 754 370 B A H X S+ 0 0 34 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.924 110.8 50.4 -63.3 -45.2 -28.9 -39.5 -8.8 755 371 B R H X S+ 0 0 159 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.948 112.9 46.8 -58.8 -49.3 -27.5 -37.5 -5.9 756 372 B R H X S+ 0 0 78 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.887 112.2 50.0 -58.5 -44.5 -29.2 -34.3 -7.0 757 373 B L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.891 109.6 50.6 -64.4 -40.1 -32.6 -36.2 -7.6 758 374 B R H X S+ 0 0 131 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.917 110.4 51.1 -65.8 -36.1 -32.4 -37.8 -4.1 759 375 B R H X S+ 0 0 111 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.953 113.1 43.4 -62.3 -52.1 -31.8 -34.4 -2.6 760 376 B I H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.919 111.4 55.6 -58.8 -43.1 -34.8 -32.8 -4.4 761 377 B Q H X S+ 0 0 75 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.911 109.8 46.6 -56.1 -41.5 -37.0 -35.8 -3.6 762 378 B A H X S+ 0 0 56 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.876 111.2 51.0 -68.5 -42.8 -36.1 -35.3 0.1 763 379 B E H >X S+ 0 0 66 -4,-2.2 4,-1.2 2,-0.2 3,-0.6 0.934 109.6 50.9 -56.1 -49.5 -36.9 -31.6 -0.1 764 380 B M H 3X S+ 0 0 21 -4,-2.9 4,-1.3 1,-0.2 3,-0.3 0.864 103.5 58.3 -61.7 -37.2 -40.2 -32.2 -1.7 765 381 B A H 3< S+ 0 0 76 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.854 108.8 46.5 -61.0 -33.3 -41.2 -34.7 1.0 766 382 B Q H << S+ 0 0 154 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.744 97.7 70.9 -79.6 -24.0 -40.7 -31.9 3.6 767 383 B E H < S- 0 0 15 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.914 87.4-159.0 -62.9 -42.8 -42.7 -29.4 1.5 768 384 B G >X - 0 0 32 -4,-1.3 4,-1.3 4,-0.1 3,-0.5 0.271 3.4-147.5 93.8 -8.9 -45.8 -31.4 2.4 769 385 B G H 3> + 0 0 12 -174,-2.2 4,-2.9 1,-0.2 5,-0.2 -0.042 67.6 1.5 53.7-139.7 -48.4 -30.6 -0.2 770 386 B T H 3> S+ 0 0 19 -173,-0.3 4,-2.7 -171,-0.3 -1,-0.2 0.860 132.7 45.4 -54.1 -53.3 -52.1 -30.5 0.6 771 387 B R H <> S+ 0 0 171 -3,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.908 116.4 46.0 -64.6 -39.0 -52.0 -31.3 4.3 772 388 B R H X S+ 0 0 88 -4,-1.3 4,-2.6 2,-0.2 5,-0.2 0.910 110.7 53.1 -70.7 -39.5 -49.2 -28.9 5.0 773 389 B A H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.950 110.9 47.6 -59.4 -44.4 -50.8 -26.1 2.9 774 390 B A H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.924 111.0 51.1 -61.3 -43.2 -54.0 -26.6 5.0 775 391 B D H X S+ 0 0 84 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.900 110.9 48.5 -55.9 -43.3 -52.0 -26.5 8.3 776 392 B L H < S+ 0 0 31 -4,-2.6 4,-0.5 2,-0.2 -1,-0.2 0.861 109.8 51.7 -72.9 -32.8 -50.2 -23.2 7.2 777 393 B I H >< S+ 0 0 0 -4,-2.2 3,-1.4 -5,-0.2 4,-0.5 0.936 109.2 50.6 -66.1 -44.2 -53.6 -21.7 6.2 778 394 B E H >< S+ 0 0 60 -4,-2.4 3,-1.6 1,-0.3 -2,-0.2 0.889 102.1 61.3 -60.8 -35.3 -54.9 -22.6 9.7 779 395 B A T 3< S+ 0 0 76 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.670 100.8 56.3 -64.9 -16.6 -51.8 -21.0 11.3 780 396 B E T < S+ 0 0 64 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.556 84.4 109.7 -93.4 -9.8 -52.9 -17.7 9.7 781 397 B L < 0 0 41 -3,-1.6 -291,-0.1 -4,-0.5 -388,-0.0 -0.385 360.0 360.0 -66.0 138.7 -56.4 -17.7 11.3 782 398 B P 0 0 127 0, 0.0 -1,-0.2 0, 0.0 -292,-0.1 0.915 360.0 360.0 -70.7 360.0 -57.3 -15.2 14.0