==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 01-DEC-03 1VIC . COMPND 2 MOLECULE: 3-DEOXY-MANNO-OCTULOSONATE CYTIDYLYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; . AUTHOR STRUCTURAL GENOMIX . 503 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22305.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 341 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 10.7 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 . 25 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 129 25.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 3 2 2 0 0 4 0 4 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 3 2 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 . 4 2 0 4 0 0 2 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 . 2 0 0 0 0 0 0 0 2 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 2 A S 0 0 112 0, 0.0 91,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 170.5 77.8 -0.9 -11.8 2 3 A F - 0 0 5 38,-0.3 40,-2.3 89,-0.1 41,-0.9 -0.979 360.0-123.6-156.1 164.6 75.2 -2.0 -14.4 3 4 A T E -ab 43 93A 4 89,-3.1 91,-2.9 -2,-0.3 2,-0.4 -0.910 15.7-150.6-116.3 141.7 73.9 -1.4 -17.9 4 5 A V E -ab 44 94A 0 39,-2.8 41,-3.1 -2,-0.4 2,-0.5 -0.925 6.4-165.3-111.8 134.9 70.3 -0.5 -18.9 5 6 A I E -ab 45 95A 0 89,-2.5 91,-1.8 -2,-0.4 41,-0.2 -0.989 5.9-161.1-119.7 126.6 68.9 -1.5 -22.3 6 7 A I E -a 46 0A 0 39,-3.4 41,-2.3 -2,-0.5 2,-0.3 -0.907 11.1-144.1-113.5 107.2 65.6 0.2 -23.3 7 8 A P E -a 47 0A 25 0, 0.0 91,-1.7 0, 0.0 41,-0.2 -0.560 15.0-141.0 -68.6 126.3 63.6 -1.5 -26.1 8 9 A A - 0 0 3 39,-2.9 40,-0.1 -2,-0.3 38,-0.0 0.904 14.2-155.0 -54.4 -49.9 62.1 1.4 -28.1 9 10 A R + 0 0 91 38,-0.2 9,-0.2 9,-0.1 39,-0.1 0.931 30.2 160.1 71.0 47.8 58.7 -0.2 -28.7 10 11 A F + 0 0 66 8,-0.1 7,-1.9 7,-0.1 8,-0.5 0.901 50.8 83.5 -66.8 -41.6 57.9 1.8 -31.8 11 12 A A + 0 0 86 5,-0.2 2,-0.3 6,-0.1 0, 0.0 -0.448 55.4 148.1 -67.7 130.2 55.3 -0.8 -32.9 12 13 A S - 0 0 24 -2,-0.2 226,-0.0 1,-0.1 5,-0.0 -0.918 39.4-151.3-164.4 136.0 51.9 -0.3 -31.3 13 14 A S S S+ 0 0 111 -2,-0.3 -1,-0.1 2,-0.2 226,-0.0 0.976 99.8 26.3 -74.7 -59.0 48.3 -0.9 -32.4 14 15 A R S S+ 0 0 177 1,-0.2 226,-0.3 224,-0.2 -1,-0.1 0.569 137.1 28.7 -84.2 -9.0 46.4 1.8 -30.5 15 16 A L S > S- 0 0 23 224,-0.1 3,-1.2 222,-0.1 -1,-0.2 -0.370 79.7-170.9-148.4 63.8 49.3 4.2 -30.1 16 17 A P T 3 S+ 0 0 97 0, 0.0 -5,-0.2 0, 0.0 -6,-0.1 -0.240 73.5 15.6 -59.3 140.5 51.7 3.8 -33.1 17 18 A G T > S+ 0 0 18 -7,-1.9 3,-1.7 1,-0.1 4,-0.2 0.711 79.0 152.0 68.2 21.7 55.0 5.6 -32.9 18 19 A K G X + 0 0 6 -3,-1.2 3,-1.8 -8,-0.5 10,-0.4 0.733 55.8 73.8 -56.5 -27.9 54.6 6.1 -29.2 19 20 A P G 3 S+ 0 0 0 0, 0.0 10,-2.4 0, 0.0 11,-0.3 0.822 104.1 41.6 -57.9 -27.1 58.3 6.3 -28.5 20 21 A L G < S+ 0 0 42 -3,-1.7 -2,-0.2 7,-0.2 2,-0.1 0.310 82.0 131.0-101.8 7.2 58.3 9.7 -30.0 21 22 A A < - 0 0 17 -3,-1.8 7,-2.2 -4,-0.2 2,-0.3 -0.404 64.5-115.0 -60.5 132.2 55.1 10.9 -28.5 22 23 A D E -J 27 0B 85 5,-0.2 2,-0.5 -2,-0.1 -1,-0.1 -0.565 33.5-177.7 -77.7 130.6 55.8 14.3 -27.0 23 24 A I E > S-J 26 0B 0 3,-2.8 3,-0.7 -2,-0.3 -1,-0.0 -0.874 74.3 -35.4-130.2 97.0 55.5 14.6 -23.2 24 25 A K T 3 S- 0 0 120 -2,-0.5 -1,-0.0 1,-0.2 -2,-0.0 0.875 126.9 -39.5 57.2 42.3 56.1 18.1 -22.0 25 26 A G T 3 S+ 0 0 59 1,-0.2 -1,-0.2 0, 0.0 -3,-0.1 0.482 125.3 82.1 92.2 1.5 58.7 18.9 -24.6 26 27 A K E < S-J 23 0B 75 -3,-0.7 -3,-2.8 -5,-0.1 -1,-0.2 -0.996 82.7-105.6-139.1 143.1 60.6 15.6 -24.7 27 28 A P E >> -J 22 0B 23 0, 0.0 3,-1.4 0, 0.0 4,-1.3 -0.384 35.2-114.5 -65.0 146.1 59.7 12.3 -26.5 28 29 A M H 3> S+ 0 0 0 -7,-2.2 4,-1.8 -10,-0.4 3,-0.5 0.867 117.2 58.9 -48.4 -41.1 58.5 9.5 -24.2 29 30 A I H 3> S+ 0 0 0 -10,-2.4 4,-2.3 1,-0.2 -1,-0.3 0.859 101.0 55.4 -59.9 -34.2 61.6 7.5 -24.9 30 31 A Q H <> S+ 0 0 30 -3,-1.4 4,-2.4 -11,-0.3 -1,-0.2 0.853 103.8 54.6 -67.1 -34.3 63.7 10.4 -23.6 31 32 A H H X S+ 0 0 25 -4,-1.3 4,-2.1 -3,-0.5 -2,-0.2 0.939 109.6 46.4 -63.5 -45.0 61.8 10.3 -20.3 32 33 A V H X S+ 0 0 0 -4,-1.8 4,-2.3 66,-0.2 -2,-0.2 0.920 111.4 52.8 -62.4 -43.6 62.6 6.6 -19.9 33 34 A F H X S+ 0 0 18 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.913 109.6 48.1 -57.7 -45.7 66.2 7.2 -20.8 34 35 A E H X S+ 0 0 49 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.869 109.2 52.4 -67.4 -34.0 66.5 10.0 -18.2 35 36 A K H X S+ 0 0 55 -4,-2.1 4,-0.6 1,-0.2 -1,-0.2 0.907 107.9 53.4 -66.2 -39.2 64.9 7.8 -15.5 36 37 A A H ><>S+ 0 0 0 -4,-2.3 3,-1.1 1,-0.2 5,-1.1 0.909 106.9 50.5 -60.6 -43.8 67.5 5.1 -16.4 37 38 A L H ><5S+ 0 0 90 -4,-2.0 3,-1.1 1,-0.2 -1,-0.2 0.876 107.2 55.7 -62.9 -35.2 70.3 7.6 -15.9 38 39 A Q H 3<5S+ 0 0 124 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.587 93.7 68.8 -73.8 -10.4 68.8 8.5 -12.5 39 40 A S T <<5S- 0 0 5 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.2 0.588 119.5-103.0 -83.2 -11.0 68.9 4.8 -11.3 40 41 A G T < 5 + 0 0 38 -3,-1.1 -38,-0.3 -4,-0.3 -3,-0.1 0.630 62.5 164.8 98.4 15.9 72.7 5.0 -11.2 41 42 A A < - 0 0 15 -5,-1.1 -1,-0.2 1,-0.1 -38,-0.2 -0.409 34.5-151.0 -67.8 139.6 73.4 3.0 -14.4 42 43 A S S S+ 0 0 87 -40,-2.3 2,-0.3 1,-0.2 -39,-0.2 0.574 84.7 20.8 -86.1 -10.2 76.9 3.3 -15.8 43 44 A R E -a 3 0A 79 -41,-0.9 -39,-2.8 -7,-0.1 2,-0.4 -0.958 63.0-166.2-158.3 136.1 75.5 2.8 -19.4 44 45 A V E -a 4 0A 8 -2,-0.3 19,-0.9 -41,-0.2 2,-0.4 -0.972 10.5-172.6-131.1 119.8 72.1 3.3 -21.0 45 46 A I E -ac 5 63A 0 -41,-3.1 -39,-3.4 -2,-0.4 2,-0.6 -0.923 14.5-151.2-115.6 133.1 71.4 1.9 -24.4 46 47 A I E -ac 6 64A 0 17,-2.6 19,-2.5 -2,-0.4 2,-0.5 -0.898 17.3-159.4-100.5 124.3 68.3 2.4 -26.5 47 48 A A E +ac 7 65A 7 -41,-2.3 -39,-2.9 -2,-0.6 2,-0.3 -0.916 24.4 146.5-107.5 130.1 67.6 -0.5 -28.8 48 49 A T E - c 0 66A 3 17,-1.7 19,-2.2 -2,-0.5 -2,-0.0 -0.993 48.0-148.7-157.8 160.1 65.4 -0.1 -31.9 49 50 A D S S+ 0 0 77 -2,-0.3 2,-0.6 17,-0.2 20,-0.1 0.241 77.6 96.5-111.4 8.1 64.8 -1.3 -35.4 50 51 A N > - 0 0 32 1,-0.1 4,-2.2 2,-0.0 5,-0.2 -0.891 60.2-157.4-107.9 119.1 63.5 2.1 -36.4 51 52 A E H > S+ 0 0 115 -2,-0.6 4,-2.3 1,-0.2 5,-0.2 0.860 93.8 54.3 -59.3 -40.3 65.8 4.7 -38.0 52 53 A N H > S+ 0 0 90 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.909 110.4 46.6 -63.2 -41.6 63.6 7.7 -37.0 53 54 A V H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.912 110.5 53.3 -65.9 -42.3 63.8 6.7 -33.4 54 55 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.916 108.9 49.7 -57.8 -45.5 67.5 6.0 -33.6 55 56 A D H X S+ 0 0 93 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.915 112.3 46.8 -61.0 -45.6 68.0 9.6 -34.9 56 57 A V H X S+ 0 0 32 -4,-2.0 4,-0.9 2,-0.2 -2,-0.2 0.914 111.9 50.8 -64.9 -42.4 66.0 11.2 -32.2 57 58 A A H ><>S+ 0 0 0 -4,-2.7 5,-2.4 1,-0.2 3,-1.1 0.926 108.9 50.3 -61.8 -45.6 67.7 9.2 -29.4 58 59 A K H ><5S+ 0 0 119 -4,-2.5 3,-1.6 1,-0.3 -1,-0.2 0.845 103.1 63.4 -61.3 -31.0 71.2 10.1 -30.7 59 60 A S H 3<5S+ 0 0 97 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.757 104.3 44.9 -67.1 -26.0 70.0 13.8 -30.7 60 61 A F T <<5S- 0 0 38 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.161 128.1 -98.0-103.8 22.6 69.5 13.7 -26.9 61 62 A G T < 5S+ 0 0 64 -3,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.606 71.7 148.6 79.0 17.1 72.8 12.0 -26.4 62 63 A A < - 0 0 6 -5,-2.4 2,-0.3 -6,-0.1 -1,-0.2 -0.599 49.7-121.9 -88.3 143.0 71.8 8.3 -26.1 63 64 A E E -c 45 0A 74 -19,-0.9 -17,-2.6 -2,-0.3 2,-0.4 -0.637 36.4-159.1 -75.7 135.9 73.8 5.4 -27.2 64 65 A V E -c 46 0A 26 -2,-0.3 2,-0.5 -19,-0.2 -17,-0.2 -0.957 17.1-166.9-124.4 139.5 71.7 3.4 -29.7 65 66 A C E -c 47 0A 6 -19,-2.5 -17,-1.7 -2,-0.4 2,-0.3 -0.983 20.6-137.7-124.5 119.2 71.9 -0.2 -30.9 66 67 A M E -c 48 0A 44 -2,-0.5 2,-0.3 -19,-0.2 -17,-0.2 -0.588 19.1-153.9 -76.5 132.4 69.9 -1.1 -34.0 67 68 A T - 0 0 10 -19,-2.2 10,-0.1 -2,-0.3 11,-0.0 -0.817 24.0 -98.1-107.5 149.1 68.2 -4.4 -33.7 68 69 A S - 0 0 49 -2,-0.3 2,-1.3 1,-0.1 -1,-0.1 -0.273 26.0-123.0 -65.7 149.6 67.2 -6.7 -36.6 69 70 A V + 0 0 110 -20,-0.1 -1,-0.1 2,-0.0 2,-0.1 -0.444 67.3 127.4 -90.4 59.7 63.7 -6.6 -37.9 70 71 A N S S- 0 0 94 -2,-1.3 -3,-0.0 3,-0.1 0, 0.0 -0.068 73.1-104.7 -98.8-159.2 63.0 -10.3 -37.4 71 72 A H S S+ 0 0 190 -2,-0.1 -1,-0.0 2,-0.0 -2,-0.0 0.666 75.8 121.9-101.5 -25.8 60.3 -12.3 -35.7 72 73 A N - 0 0 51 1,-0.1 -2,-0.1 4,-0.1 5,-0.0 0.230 64.3 -96.4 -38.4 158.7 62.4 -13.2 -32.6 73 74 A S > - 0 0 53 1,-0.1 4,-1.6 126,-0.1 5,-0.1 -0.036 32.0-100.1 -75.0 175.9 61.3 -12.3 -29.0 74 75 A G H > S+ 0 0 27 2,-0.2 4,-2.0 1,-0.2 3,-0.4 0.932 126.4 51.5 -62.8 -46.5 62.3 -9.4 -26.8 75 76 A T H > S+ 0 0 8 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.842 107.9 55.2 -58.8 -31.8 64.8 -11.5 -24.9 76 77 A E H > S+ 0 0 40 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.852 106.9 49.0 -68.6 -36.2 66.1 -12.4 -28.4 77 78 A R H X S+ 0 0 95 -4,-1.6 4,-1.3 -3,-0.4 -2,-0.2 0.800 107.1 55.5 -74.5 -28.6 66.6 -8.7 -29.1 78 79 A L H X S+ 0 0 4 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.906 105.9 52.4 -68.5 -40.7 68.4 -8.2 -25.8 79 80 A A H X S+ 0 0 15 -4,-1.8 4,-2.8 1,-0.2 -2,-0.2 0.919 105.6 54.0 -60.8 -44.0 70.9 -10.9 -26.8 80 81 A E H X S+ 0 0 45 -4,-1.6 4,-2.8 1,-0.2 -1,-0.2 0.851 107.9 50.2 -60.3 -35.1 71.6 -9.2 -30.1 81 82 A V H X S+ 0 0 0 -4,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.932 110.6 49.3 -67.5 -45.6 72.4 -6.0 -28.3 82 83 A V H <>S+ 0 0 0 -4,-2.1 5,-2.6 1,-0.2 4,-0.3 0.920 115.5 44.6 -58.3 -44.8 74.8 -7.8 -26.0 83 84 A E H ><5S+ 0 0 125 -4,-2.8 3,-0.8 3,-0.2 -2,-0.2 0.920 113.3 48.6 -67.8 -45.7 76.4 -9.5 -29.0 84 85 A K H 3<5S+ 0 0 115 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.831 117.1 41.0 -66.1 -33.5 76.7 -6.4 -31.1 85 86 A L T 3<5S- 0 0 46 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.374 107.1-126.0 -95.1 4.2 78.2 -4.3 -28.3 86 87 A A T < 5 - 0 0 82 -3,-0.8 -3,-0.2 -4,-0.3 -4,-0.1 0.925 36.5-170.1 51.7 50.5 80.4 -7.1 -27.2 87 88 A I < - 0 0 4 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.0 -0.607 25.9-110.5 -76.0 124.2 79.1 -6.8 -23.6 88 89 A P > - 0 0 85 0, 0.0 3,-1.9 0, 0.0 104,-0.3 -0.194 26.0-113.3 -54.8 142.6 81.2 -9.0 -21.3 89 90 A D T 3 S+ 0 0 101 1,-0.3 104,-2.8 103,-0.2 105,-0.4 0.759 111.9 49.9 -48.8 -37.1 79.5 -12.0 -19.8 90 91 A N T 3 S+ 0 0 113 102,-0.2 -1,-0.3 101,-0.2 2,-0.0 0.525 79.7 121.0 -86.6 -3.1 79.4 -10.8 -16.2 91 92 A E < - 0 0 41 -3,-1.9 101,-2.9 100,-0.1 2,-0.5 -0.334 66.2-123.5 -61.7 135.2 78.0 -7.4 -16.9 92 93 A I E - D 0 191A 18 -91,-0.4 -89,-3.1 99,-0.2 2,-0.5 -0.701 29.5-166.1 -83.0 126.2 74.7 -6.7 -15.1 93 94 A I E -bD 3 190A 0 97,-3.2 97,-2.5 -2,-0.5 2,-0.5 -0.958 8.4-164.7-118.3 130.2 71.9 -5.8 -17.6 94 95 A V E -bD 4 189A 0 -91,-2.9 -89,-2.5 -2,-0.5 2,-0.6 -0.957 10.7-149.6-114.0 128.6 68.6 -4.3 -16.6 95 96 A N E +bD 5 188A 15 93,-2.4 93,-1.1 -2,-0.5 2,-0.4 -0.878 20.1 175.1-102.0 115.4 65.8 -4.4 -19.2 96 97 A I - 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0 0 70 1,-0.1 -1,-0.1 -2,-0.1 -2,-0.1 -0.212 42.5 -90.4 -63.1 152.8 64.8 -24.9 -26.6 203 204 A P - 0 0 93 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.360 47.5-136.9 -62.3 145.1 61.2 -23.6 -26.5 204 205 A T > - 0 0 9 1,-0.1 4,-1.8 -3,-0.1 5,-0.2 -0.800 16.1-132.5-111.1 151.4 59.2 -25.4 -23.8 205 206 A Q H > S+ 0 0 105 -2,-0.3 4,-1.6 1,-0.2 5,-0.2 0.849 110.0 59.0 -63.3 -32.7 55.7 -26.8 -23.7 206 207 A L H > S+ 0 0 15 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.932 106.0 42.9 -63.2 -50.2 55.3 -24.9 -20.5 207 208 A E H >>S+ 0 0 19 1,-0.2 4,-1.7 2,-0.2 5,-1.0 0.843 112.2 55.4 -67.5 -32.8 56.0 -21.4 -21.9 208 209 A N H <5S+ 0 0 85 -4,-1.8 -1,-0.2 3,-0.2 -2,-0.2 0.829 110.9 44.8 -69.1 -32.6 53.9 -22.1 -24.9 209 210 A L H <5S+ 0 0 19 -4,-1.6 210,-2.3 -3,-0.2 211,-0.4 0.969 123.6 32.1 -75.1 -55.5 50.9 -23.0 -22.8 210 211 A E H <5S- 0 0 0 -4,-2.1 -2,-0.2 208,-0.2 -3,-0.2 0.682 100.3-132.1 -75.1 -18.1 51.1 -20.1 -20.3 211 212 A K T <5 + 0 0 87 -4,-1.7 2,-0.4 -5,-0.3 -3,-0.2 0.932 64.1 133.4 61.9 44.9 52.5 -17.8 -22.9 212 213 A L > < - 0 0 7 -5,-1.0 3,-2.0 -6,-0.2 4,-0.3 -0.909 44.5-163.9-130.8 101.3 55.2 -16.8 -20.4 213 214 A E T > S+ 0 0 64 -2,-0.4 3,-1.8 1,-0.3 4,-0.4 0.793 85.6 66.9 -53.9 -34.0 58.7 -16.8 -21.8 214 215 A Q T >> S+ 0 0 9 1,-0.3 4,-1.2 2,-0.2 3,-0.8 0.649 82.1 74.7 -67.3 -13.9 60.3 -16.8 -18.3 215 216 A L H <> S+ 0 0 0 -3,-2.0 4,-2.6 1,-0.2 -1,-0.3 0.719 82.8 69.8 -71.3 -15.9 59.0 -20.3 -17.6 216 217 A R H <> S+ 0 0 41 -3,-1.8 4,-1.5 -4,-0.3 -1,-0.2 0.866 98.5 49.9 -65.5 -35.0 61.7 -21.5 -19.9 217 218 A V H <4>S+ 0 0 0 -3,-0.8 5,-2.4 -4,-0.4 -2,-0.2 0.925 112.1 45.1 -69.8 -46.5 64.2 -20.5 -17.2 218 219 A L H ><5S+ 0 0 10 -4,-1.2 3,-1.9 1,-0.2 -2,-0.2 0.907 110.6 55.3 -64.4 -40.5 62.4 -22.3 -14.4 219 220 A Y H 3<5S+ 0 0 87 -4,-2.6 184,-3.2 1,-0.3 185,-0.2 0.876 106.9 50.4 -60.2 -36.8 61.9 -25.3 -16.7 220 221 A N T 3<5S- 0 0 27 -4,-1.5 -1,-0.3 182,-0.2 -2,-0.2 0.216 120.2-111.9 -86.1 15.4 65.7 -25.4 -17.2 221 222 A G T < 5 + 0 0 47 -3,-1.9 2,-0.5 1,-0.2 -3,-0.2 0.714 63.0 152.1 64.6 26.1 66.2 -25.3 -13.4 222 223 A E < - 0 0 47 -5,-2.4 -1,-0.2 -6,-0.1 2,-0.2 -0.764 46.5-119.2 -91.8 129.0 67.8 -21.8 -13.3 223 224 A R - 0 0 135 -2,-0.5 -102,-0.6 -73,-0.1 -101,-0.5 -0.430 28.9-168.8 -68.9 133.4 67.2 -19.9 -10.0 224 225 A I E -f 122 0A 2 -73,-0.2 -73,-2.8 -2,-0.2 2,-0.5 -0.986 9.6-147.3-123.6 133.0 65.3 -16.6 -10.3 225 226 A H E -fI 123 150A 3 -103,-2.0 -101,-2.9 -2,-0.4 2,-0.4 -0.884 16.8-179.4-105.0 131.3 65.1 -14.1 -7.5 226 227 A V E +f 124 0A 5 -77,-3.0 2,-0.3 -2,-0.5 -101,-0.2 -0.989 1.9 178.6-129.0 136.7 62.0 -11.9 -7.1 227 228 A E E -f 125 0A 61 -103,-1.3 -101,-1.8 -2,-0.4 2,-0.2 -0.954 40.5 -89.6-136.7 154.3 61.4 -9.3 -4.5 228 229 A L E -f 126 0A 81 -2,-0.3 -101,-0.2 -103,-0.2 -46,-0.0 -0.460 53.5-112.0 -63.1 125.5 58.6 -6.9 -3.6 229 230 A A - 0 0 11 -103,-3.1 -101,-0.1 -2,-0.2 -1,-0.1 -0.331 12.8-132.6 -61.7 139.7 59.3 -3.7 -5.5 230 231 A K S S+ 0 0 138 1,-0.2 2,-0.3 -124,-0.1 -1,-0.1 0.777 94.2 18.9 -63.4 -27.0 60.2 -0.7 -3.3 231 232 A E S S- 0 0 105 -127,-0.1 -1,-0.2 -104,-0.0 -124,-0.0 -0.995 86.7-112.2-145.3 141.2 57.7 1.4 -5.3 232 233 A V - 0 0 107 -2,-0.3 2,-0.1 -3,-0.1 -105,-0.0 -0.638 36.0-139.3 -76.5 115.9 54.8 0.4 -7.5 233 234 A P - 0 0 9 0, 0.0 -130,-0.1 0, 0.0 3,-0.1 -0.467 19.1-109.7 -76.6 147.7 55.6 1.4 -11.1 234 235 A A - 0 0 44 -132,-0.3 -132,-0.1 -2,-0.1 3,-0.1 -0.357 40.1 -94.9 -72.1 154.6 52.9 2.9 -13.3 235 236 A V - 0 0 108 1,-0.1 -1,-0.1 -2,-0.1 -133,-0.1 -0.402 51.0 -97.6 -67.6 148.0 51.5 0.8 -16.2 236 237 A G - 0 0 18 1,-0.1 2,-0.4 -136,-0.1 -136,-0.2 -0.302 39.1-102.6 -67.9 153.5 53.2 1.5 -19.5 237 238 A V + 0 0 1 -138,-3.0 -1,-0.1 1,-0.1 3,-0.1 -0.635 59.1 139.4 -80.1 124.8 51.7 3.9 -22.0 238 239 A D + 0 0 51 -2,-0.4 2,-0.3 1,-0.2 -224,-0.2 0.345 58.9 54.2-144.2 0.5 49.9 2.3 -24.9 239 240 A T S > S- 0 0 34 1,-0.1 4,-2.0 -224,-0.1 -1,-0.2 -0.909 82.7-113.8-134.3 162.2 46.8 4.4 -25.5 240 241 A A H > S+ 0 0 60 -226,-0.3 4,-2.4 -2,-0.3 5,-0.2 0.866 118.5 56.0 -63.4 -34.9 46.0 8.0 -26.1 241 242 A E H > S+ 0 0 132 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.933 106.8 47.7 -61.9 -48.1 44.3 8.1 -22.7 242 243 A D H > S+ 0 0 43 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.884 110.9 52.4 -60.2 -40.1 47.4 6.8 -20.9 243 244 A L H X S+ 0 0 12 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.922 108.0 50.6 -63.0 -43.7 49.5 9.4 -22.7 244 245 A E H X S+ 0 0 131 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.902 109.2 52.8 -60.7 -40.6 47.1 12.1 -21.5 245 246 A K H X S+ 0 0 97 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.947 109.6 46.5 -60.8 -50.7 47.5 10.9 -18.0 246 247 A V H X S+ 0 0 5 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.916 110.9 53.5 -59.5 -42.7 51.3 11.0 -18.0 247 248 A R H X S+ 0 0 108 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.897 109.4 48.6 -58.6 -41.0 51.2 14.4 -19.5 248 249 A A H X S+ 0 0 58 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.885 110.9 50.7 -67.5 -38.2 48.9 15.7 -16.7 249 250 A I H X S+ 0 0 66 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.917 112.3 44.8 -66.7 -44.0 51.2 14.1 -14.1 250 251 A L H < S+ 0 0 27 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.789 111.7 54.8 -71.2 -25.2 54.4 15.7 -15.4 251 252 A A H >< S+ 0 0 54 -4,-1.6 3,-1.1 -5,-0.3 -2,-0.2 0.901 109.1 47.1 -72.1 -40.8 52.5 19.0 -15.8 252 253 A A H 3< S+ 0 0 73 -4,-2.1 3,-0.5 1,-0.2 -2,-0.2 0.843 103.1 63.6 -68.6 -35.1 51.5 18.9 -12.1 253 254 A N T 3< S+ 0 0 129 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.340 102.1 53.2 -73.9 8.9 55.0 18.0 -11.0 254 255 A G < 0 0 49 -3,-1.1 -1,-0.2 0, 0.0 -2,-0.1 -0.340 360.0 360.0-144.4 64.0 56.4 21.3 -12.3 255 256 A S 0 0 143 -3,-0.5 -4,-0.0 0, 0.0 0, 0.0 -0.950 360.0 360.0-160.2 360.0 54.6 24.5 -11.0 256 !* 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 0.0 257 2 B S 0 0 108 0, 0.0 91,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 168.7 67.0 -51.1 1.1 258 3 B F - 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0 0 18 -3,-2.0 7,-1.8 -4,-0.3 2,-0.4 -0.263 62.3-108.4 -51.4 134.4 37.3 -53.6 7.0 278 23 B D E +T 283 0D 87 5,-0.2 2,-0.5 6,-0.1 -1,-0.1 -0.539 39.9 175.7 -75.2 123.4 36.9 -57.1 5.7 279 24 B I E > S-T 282 0D 0 3,-2.6 3,-1.2 -2,-0.4 -1,-0.0 -0.864 75.1 -40.1-129.0 95.3 38.3 -57.8 2.2 280 25 B K T 3 S- 0 0 125 -2,-0.5 -2,-0.0 1,-0.2 -1,-0.0 0.840 122.9 -39.8 55.5 41.3 38.0 -61.5 1.3 281 26 B G T 3 S+ 0 0 63 1,-0.2 -1,-0.2 0, 0.0 -3,-0.1 0.334 125.5 83.8 96.5 -9.3 38.9 -62.8 4.7 282 27 B K E < S-T 279 0D 78 -3,-1.2 -3,-2.6 -5,-0.0 -1,-0.2 -0.969 82.5-107.8-127.9 144.6 41.7 -60.3 5.6 283 28 B P E >> -T 278 0D 23 0, 0.0 4,-1.3 0, 0.0 3,-1.1 -0.328 34.4-112.0 -66.3 153.1 41.4 -56.8 7.0 284 29 B M H >> S+ 0 0 0 -7,-1.8 4,-1.8 -10,-0.3 3,-0.5 0.892 116.8 57.8 -53.4 -42.4 42.2 -54.0 4.6 285 30 B I H 3> S+ 0 0 0 -10,-2.8 4,-2.2 1,-0.3 -1,-0.3 0.804 101.3 56.5 -61.4 -28.4 45.4 -53.1 6.5 286 31 B Q H <> S+ 0 0 32 -3,-1.1 4,-2.6 -11,-0.3 -1,-0.3 0.878 104.1 52.8 -71.0 -35.4 46.7 -56.6 5.9 287 32 B H H <>S+ 0 0 0 -4,-2.2 5,-1.0 1,-0.2 3,-0.6 0.862 107.8 50.6 -61.4 -36.6 54.5 -53.3 1.0 293 38 B L H ><5S+ 0 0 89 -4,-1.7 3,-1.2 1,-0.2 -1,-0.2 0.881 106.6 56.1 -68.6 -34.1 56.3 -56.6 1.5 294 39 B Q H 3<5S+ 0 0 122 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.627 93.4 69.0 -71.4 -14.3 55.9 -57.2 -2.3 295 40 B S T <<5S- 0 0 8 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.695 117.5-108.1 -76.8 -18.9 57.7 -53.9 -3.0 296 41 B G T < 5 + 0 0 41 -3,-1.2 -38,-0.2 -4,-0.4 -3,-0.1 0.468 60.9 162.7 103.0 5.8 60.9 -55.3 -1.7 297 42 B A < - 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