==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-SEP-11 3TZT . COMPND 2 MOLECULE: GLYCOSYL TRANSFERASE FAMILY 8; . SOURCE 2 ORGANISM_SCIENTIFIC: ANAEROCOCCUS PREVOTII; . AUTHOR M.E.CUFF,C.TESAR,J.BEARDEN,A.JOACHIMIAK,MIDWEST CENTER FOR S . 465 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21411.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 336 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 6.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 38 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 143 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.1 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 5 1 1 9 1 0 1 0 2 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 0 0 2 4 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 . 1 1 2 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 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 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 0 A A 0 0 153 0, 0.0 3,-0.1 0, 0.0 87,-0.0 0.000 360.0 360.0 360.0 98.8 -8.0 8.1 18.0 2 1 A X + 0 0 174 1,-0.1 2,-0.4 2,-0.0 31,-0.4 0.381 360.0 55.3-105.0 -12.2 -7.2 10.5 15.1 3 2 A A S S- 0 0 15 29,-0.1 2,-0.2 31,-0.0 31,-0.2 -0.989 79.9-134.2-121.3 137.0 -8.8 13.4 16.8 4 3 A D E -a 34 0A 51 29,-1.5 31,-2.4 -2,-0.4 2,-0.4 -0.619 29.1-121.0 -79.8 151.9 -8.1 14.7 20.2 5 4 A A E -a 35 0A 7 85,-0.3 87,-2.0 -2,-0.2 2,-0.3 -0.825 23.5-168.6-103.4 139.6 -11.1 15.5 22.4 6 5 A L E -ab 36 92A 0 29,-2.6 31,-3.1 -2,-0.4 2,-0.4 -0.898 7.5-153.0-119.5 145.5 -12.1 18.8 24.0 7 6 A L E +ab 37 93A 0 85,-2.4 87,-2.3 -2,-0.3 2,-0.3 -0.990 13.6 175.9-121.9 132.3 -14.8 19.4 26.6 8 7 A L E -a 38 0A 0 29,-2.3 31,-2.6 -2,-0.4 2,-0.4 -0.962 11.7-164.7-128.9 146.7 -16.8 22.6 27.2 9 8 A T E +a 39 0A 5 -2,-0.3 2,-0.3 85,-0.3 31,-0.2 -0.914 42.6 109.5-131.7 101.3 -19.6 23.0 29.7 10 9 A L - 0 0 5 29,-1.4 2,-0.2 -2,-0.4 33,-0.2 -0.981 54.4-117.9-159.9 168.9 -21.6 26.2 29.0 11 10 A D > - 0 0 4 -2,-0.3 3,-2.5 29,-0.1 4,-0.3 -0.612 51.3 -78.4-117.5-177.1 -24.9 27.6 27.8 12 11 A E G > S+ 0 0 72 1,-0.3 3,-1.4 -2,-0.2 28,-0.0 0.684 116.9 70.6 -67.5 -17.8 -25.6 29.9 24.8 13 12 A N G 3 S+ 0 0 111 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.734 102.2 47.9 -64.1 -22.6 -24.4 33.2 26.3 14 13 A Y G <> S+ 0 0 71 -3,-2.5 4,-2.5 1,-0.2 -1,-0.3 0.378 81.4 97.9 -97.0 2.3 -20.8 31.9 26.0 15 14 A I H <> S+ 0 0 12 -3,-1.4 4,-2.3 -4,-0.3 5,-0.2 0.898 79.8 55.1 -57.1 -44.4 -21.0 30.6 22.5 16 15 A P H > S+ 0 0 71 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.930 112.0 44.5 -54.0 -43.8 -19.4 33.8 21.0 17 16 A Q H > S+ 0 0 17 -4,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.861 109.3 55.6 -69.5 -37.8 -16.4 33.3 23.4 18 17 A X H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.893 105.8 53.0 -59.1 -39.3 -16.3 29.5 22.6 19 18 A K H X S+ 0 0 44 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.856 108.3 49.3 -67.0 -35.8 -16.0 30.3 18.9 20 19 A V H X S+ 0 0 10 -4,-1.3 4,-2.3 2,-0.2 5,-0.2 0.937 111.4 49.9 -66.4 -46.3 -13.0 32.7 19.5 21 20 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 75,-0.3 79,-0.4 0.944 111.4 48.6 -55.1 -48.5 -11.4 30.0 21.6 22 21 A X H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.884 110.5 51.1 -60.8 -43.1 -11.9 27.5 18.7 23 22 A T H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.886 109.4 50.2 -60.7 -43.7 -10.5 29.9 16.2 24 23 A S H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.869 110.4 50.6 -64.3 -36.5 -7.4 30.4 18.3 25 24 A I H X S+ 0 0 0 -4,-2.2 4,-1.0 -5,-0.2 -2,-0.2 0.939 111.3 48.6 -64.5 -45.9 -7.0 26.7 18.6 26 25 A Y H >< S+ 0 0 83 -4,-2.6 3,-0.7 1,-0.2 -2,-0.2 0.946 113.0 45.5 -59.5 -46.2 -7.3 26.3 14.8 27 26 A I H 3< S+ 0 0 2 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.892 118.9 43.3 -68.6 -38.1 -4.8 29.1 14.0 28 27 A N H 3< S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.459 118.3 42.3 -90.6 -2.6 -2.3 27.8 16.6 29 28 A N S X< S- 0 0 8 -4,-1.0 3,-1.9 -3,-0.7 -1,-0.2 -0.431 80.1-169.5-134.5 60.6 -2.6 24.0 15.9 30 29 A P T 3 S+ 0 0 83 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.260 71.5 13.9 -61.7 137.2 -2.6 23.9 12.0 31 30 A G T 3 S+ 0 0 79 1,-0.3 2,-0.3 -5,-0.1 -5,-0.1 0.244 95.0 123.3 87.2 -13.5 -3.6 20.4 10.7 32 31 A R < - 0 0 60 -3,-1.9 2,-0.4 -6,-0.2 -1,-0.3 -0.665 50.0-146.8 -86.0 147.7 -4.9 19.0 14.0 33 32 A I - 0 0 58 -31,-0.4 -29,-1.5 -2,-0.3 2,-0.4 -0.853 13.7-166.0-112.2 135.5 -8.4 17.7 14.2 34 33 A F E -a 4 0A 0 -2,-0.4 27,-1.7 -31,-0.2 2,-0.5 -0.980 18.3-148.6-125.1 143.5 -10.5 18.0 17.3 35 34 A D E -ac 5 61A 33 -31,-2.4 -29,-2.6 -2,-0.4 2,-0.6 -0.905 23.9-154.6 -95.3 129.2 -13.8 16.4 18.5 36 35 A V E -ac 6 62A 0 25,-3.2 27,-3.3 -2,-0.5 2,-0.4 -0.930 6.7-163.8-120.3 109.3 -15.6 19.0 20.7 37 36 A Y E -ac 7 63A 23 -31,-3.1 -29,-2.3 -2,-0.6 2,-0.5 -0.768 6.8-166.6 -91.8 132.1 -18.0 17.6 23.3 38 37 A L E -ac 8 64A 0 25,-2.0 27,-3.1 -2,-0.4 2,-0.5 -0.957 6.4-163.2-128.1 109.6 -20.4 20.3 24.7 39 38 A I E +ac 9 65A 0 -31,-2.6 -29,-1.4 -2,-0.5 2,-0.3 -0.833 28.3 153.8 -93.9 124.6 -22.4 19.6 27.8 40 39 A H E - c 0 66A 3 25,-1.9 27,-2.8 -2,-0.5 -29,-0.1 -0.954 41.1-147.1-145.3 163.7 -25.2 22.1 28.1 41 40 A S S S+ 0 0 15 -2,-0.3 -1,-0.1 25,-0.2 28,-0.1 0.839 89.2 8.3-103.9 -34.1 -28.6 22.3 29.7 42 41 A R S S+ 0 0 166 2,-0.1 2,-0.3 24,-0.0 -31,-0.1 0.172 73.7 138.4-138.5 12.3 -30.8 24.5 27.4 43 42 A I - 0 0 4 -33,-0.2 -3,-0.1 1,-0.1 5,-0.0 -0.542 55.7-117.3 -68.5 126.1 -29.0 25.3 24.1 44 43 A S > - 0 0 35 -2,-0.3 4,-2.2 1,-0.1 3,-0.2 -0.215 14.2-118.3 -59.4 152.0 -31.6 25.1 21.2 45 44 A E H > S+ 0 0 137 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.847 114.4 54.7 -61.1 -36.7 -31.2 22.6 18.4 46 45 A D H > S+ 0 0 118 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.884 108.6 47.5 -62.9 -42.3 -31.0 25.4 15.9 47 46 A K H > S+ 0 0 77 -3,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.868 112.7 49.3 -66.0 -36.6 -28.1 27.1 17.7 48 47 A L H X S+ 0 0 7 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.880 109.2 52.2 -69.8 -37.9 -26.3 23.7 18.1 49 48 A K H X S+ 0 0 155 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.945 111.8 47.3 -60.1 -46.6 -26.8 23.1 14.3 50 49 A D H X S+ 0 0 70 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.884 113.4 46.8 -56.4 -50.2 -25.2 26.5 13.6 51 50 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.921 112.1 50.9 -64.6 -43.6 -22.3 26.0 15.9 52 51 A G H X S+ 0 0 18 -4,-2.8 4,-1.7 2,-0.2 -2,-0.2 0.904 110.0 49.7 -56.7 -46.4 -21.7 22.5 14.4 53 52 A E H X S+ 0 0 93 -4,-2.6 4,-0.8 2,-0.2 -2,-0.2 0.905 112.0 49.7 -62.2 -40.8 -21.7 23.9 10.9 54 53 A D H >< S+ 0 0 7 -4,-2.3 3,-1.2 1,-0.2 4,-0.4 0.945 110.1 48.2 -63.5 -49.1 -19.2 26.5 12.0 55 54 A L H ><>S+ 0 0 0 -4,-2.6 5,-2.2 1,-0.2 3,-1.9 0.838 100.7 66.6 -60.4 -32.3 -16.8 24.1 13.7 56 55 A K H ><5S+ 0 0 120 -4,-1.7 3,-2.0 1,-0.3 -1,-0.2 0.778 86.3 70.5 -62.2 -25.9 -16.9 21.9 10.6 57 56 A K T <<5S+ 0 0 80 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.754 104.4 41.3 -59.8 -27.0 -15.1 24.7 8.7 58 57 A F T < 5S- 0 0 7 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.2 0.279 123.3-109.2 -96.1 5.7 -12.1 23.8 10.8 59 58 A S T < 5S+ 0 0 70 -3,-2.0 2,-0.3 1,-0.3 -3,-0.2 0.704 76.5 137.7 62.8 27.5 -12.8 20.1 10.4 60 59 A Y < - 0 0 0 -5,-2.2 2,-0.5 -27,-0.1 -1,-0.3 -0.736 47.2-139.1 -93.2 151.1 -13.8 19.9 14.0 61 60 A T E -c 35 0A 31 -27,-1.7 -25,-3.2 -2,-0.3 2,-0.4 -0.948 6.7-141.8-116.8 127.2 -16.9 17.9 15.0 62 61 A L E -c 36 0A 19 -2,-0.5 -25,-0.2 -27,-0.2 -10,-0.0 -0.684 14.0-173.8 -85.4 130.5 -19.4 19.1 17.6 63 62 A Y E -c 37 0A 98 -27,-3.3 -25,-2.0 -2,-0.4 2,-0.2 -0.825 12.2-164.4-123.8 87.2 -20.8 16.5 20.0 64 63 A P E -c 38 0A 57 0, 0.0 2,-0.4 0, 0.0 -25,-0.2 -0.521 5.7-170.2 -73.3 142.1 -23.5 18.2 22.0 65 64 A I E -c 39 0A 38 -27,-3.1 -25,-1.9 -2,-0.2 2,-0.5 -0.954 12.6-147.0-135.6 111.7 -24.7 16.4 25.1 66 65 A R E -c 40 0A 164 -2,-0.4 -25,-0.2 -27,-0.2 -27,-0.1 -0.686 10.8-149.5 -84.1 121.5 -27.8 17.8 26.9 67 66 A A - 0 0 7 -27,-2.8 2,-0.4 -2,-0.5 -1,-0.0 -0.328 16.6-135.8 -75.7 167.2 -27.7 17.3 30.7 68 67 A T 0 0 122 1,-0.1 -27,-0.1 -2,-0.1 -2,-0.0 -0.845 360.0 360.0-141.9 112.3 -31.1 16.9 32.4 69 68 A D 0 0 135 -2,-0.4 -1,-0.1 -28,-0.1 -28,-0.0 0.918 360.0 360.0 65.7 360.0 -32.7 18.4 35.6 70 ! 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 71 81 A P >> 0 0 114 0, 0.0 3,-1.9 0, 0.0 4,-0.9 0.000 360.0 360.0 360.0 43.4 -23.7 25.9 40.0 72 82 A K H >> + 0 0 104 1,-0.3 4,-1.1 2,-0.2 3,-0.5 0.736 360.0 47.1 -39.4 -49.4 -24.9 23.9 37.0 73 83 A E H 3> S+ 0 0 51 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.775 100.5 67.3 -71.0 -30.8 -21.7 23.9 35.0 74 84 A X H <> S+ 0 0 85 -3,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.885 102.9 46.4 -49.9 -49.5 -19.5 23.0 38.0 75 85 A Y H < S+ 0 0 36 -4,-1.6 3,-1.3 1,-0.2 4,-0.2 0.936 115.3 43.3 -59.5 -53.2 -17.0 19.2 34.5 78 88 A L H 3< S+ 0 0 18 -4,-1.4 3,-0.3 1,-0.3 -1,-0.2 0.835 119.2 43.4 -63.7 -38.6 -16.4 17.0 37.6 79 89 A L T >X S+ 0 0 16 -4,-2.5 3,-2.7 1,-0.2 4,-0.7 0.097 74.9 124.9 -97.6 19.5 -18.9 14.3 36.4 80 90 A A H X> + 0 0 2 -3,-1.3 4,-2.1 1,-0.3 3,-1.5 0.857 65.5 65.1 -45.5 -45.2 -17.7 14.4 32.7 81 91 A G H 34 S+ 0 0 8 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.664 98.8 53.6 -54.0 -20.4 -17.1 10.6 32.9 82 92 A E H <4 S+ 0 0 106 -3,-2.7 -1,-0.3 -6,-0.2 -2,-0.2 0.686 114.6 38.9 -86.5 -23.3 -20.9 10.1 33.3 83 93 A F H << S+ 0 0 67 -3,-1.5 -2,-0.2 -4,-0.7 -3,-0.1 0.711 102.5 76.8 -96.9 -29.6 -21.8 12.1 30.2 84 94 A L S < S- 0 0 8 -4,-2.1 4,-0.0 1,-0.1 -19,-0.0 -0.463 95.3 -82.1 -87.5 157.4 -19.1 11.2 27.7 85 95 A P > - 0 0 47 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.241 36.7-125.8 -59.5 148.5 -18.8 7.9 25.8 86 96 A E T 3 S+ 0 0 149 1,-0.3 52,-0.1 -4,-0.1 -2,-0.1 0.683 105.2 59.2 -71.4 -23.3 -17.3 5.0 27.7 87 97 A N T 3 S+ 0 0 146 2,-0.0 2,-0.5 48,-0.0 -1,-0.3 0.348 79.4 103.1 -88.2 4.5 -14.7 4.3 25.2 88 98 A L < - 0 0 29 -3,-1.5 3,-0.1 1,-0.1 -4,-0.1 -0.793 49.6-172.0 -88.1 129.5 -13.1 7.8 25.3 89 99 A G + 0 0 25 -2,-0.5 45,-1.3 1,-0.2 46,-1.2 0.801 61.8 11.6 -90.6 -29.8 -9.9 7.7 27.4 90 100 A E E - D 0 133A 70 43,-0.2 2,-0.3 44,-0.2 -85,-0.3 -0.987 56.5-178.3-151.9 150.0 -8.9 11.3 27.8 91 101 A I E - D 0 132A 2 41,-1.7 41,-3.1 -2,-0.3 2,-0.7 -0.989 24.1-131.5-154.8 147.6 -10.4 14.8 27.2 92 102 A L E -bD 6 131A 0 -87,-2.0 -85,-2.4 -2,-0.3 2,-0.3 -0.925 21.8-155.4-105.7 108.3 -9.2 18.4 27.6 93 103 A Y E -bD 7 130A 2 37,-3.1 37,-1.7 -2,-0.7 2,-0.4 -0.682 16.3-177.6 -81.5 132.2 -11.7 20.6 29.5 94 104 A L E - D 0 129A 0 -87,-2.3 -85,-0.3 -2,-0.3 35,-0.2 -1.000 26.9-128.1-133.9 135.6 -11.4 24.3 28.7 95 105 A D - 0 0 24 33,-2.1 3,-0.3 -2,-0.4 -85,-0.1 -0.518 27.2-126.6 -64.8 146.4 -13.3 27.4 30.0 96 106 A P S S+ 0 0 9 0, 0.0 2,-0.9 0, 0.0 -75,-0.3 0.702 99.2 74.8 -74.4 -18.0 -14.7 29.5 27.1 97 107 A D S S+ 0 0 12 -77,-0.1 109,-2.4 -76,-0.0 2,-0.3 -0.225 83.7 95.2 -88.8 47.0 -13.1 32.7 28.3 98 108 A X E -G 205 0B 0 -2,-0.9 2,-0.4 -3,-0.3 107,-0.2 -0.803 59.5-146.8-132.2 167.2 -9.6 31.6 27.2 99 109 A L E -G 204 0B 0 105,-2.0 105,-2.8 -2,-0.3 2,-0.5 -0.990 11.3-144.2-141.0 130.7 -7.3 32.0 24.2 100 110 A V E +G 203 0B 0 -2,-0.4 103,-0.2 -79,-0.4 -72,-0.2 -0.869 23.5 170.6 -94.6 125.5 -4.9 29.4 22.9 101 111 A I + 0 0 0 101,-2.5 102,-0.1 -2,-0.5 -1,-0.1 0.226 59.2 31.2-124.4 11.2 -1.8 31.1 21.6 102 112 A N S S- 0 0 9 100,-0.6 -74,-0.1 98,-0.1 98,-0.1 -0.936 99.0 -63.5-161.7 164.5 0.6 28.1 21.0 103 113 A P - 0 0 54 0, 0.0 3,-0.3 0, 0.0 4,-0.3 -0.270 29.9-149.2 -63.5 146.0 0.4 24.5 20.0 104 114 A L S > S+ 0 0 0 1,-0.2 4,-2.5 -79,-0.1 5,-0.2 0.438 70.7 103.4 -90.6 -0.8 -1.3 22.1 22.4 105 115 A D H > S+ 0 0 65 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.890 78.8 49.3 -52.0 -51.9 0.9 19.1 21.4 106 116 A D H 4 S+ 0 0 105 -3,-0.3 3,-0.3 1,-0.2 4,-0.2 0.944 114.1 46.3 -55.7 -44.7 3.1 19.1 24.6 107 117 A L H >4 S+ 0 0 0 -4,-0.3 3,-2.1 1,-0.2 -2,-0.2 0.948 110.4 51.8 -63.7 -47.2 0.0 19.2 26.8 108 118 A L H 3< S+ 0 0 23 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.742 107.9 53.1 -67.3 -21.2 -1.8 16.5 25.0 109 119 A R T 3< S+ 0 0 152 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.375 78.0 128.3 -91.2 5.9 1.2 14.2 25.3 110 120 A T < - 0 0 24 -3,-2.1 2,-1.1 -4,-0.2 -3,-0.0 -0.410 65.5-124.2 -63.6 133.1 1.5 14.6 29.1 111 121 A D + 0 0 115 1,-0.2 3,-0.2 -2,-0.1 -1,-0.1 -0.669 48.9 153.5 -83.4 103.1 1.6 11.2 30.7 112 122 A I > + 0 0 3 -2,-1.1 3,-2.2 1,-0.1 -1,-0.2 0.068 27.5 123.2-113.1 23.9 -1.3 11.3 33.1 113 123 A S T 3 S+ 0 0 68 1,-0.3 -1,-0.1 22,-0.0 -2,-0.0 0.819 78.5 45.7 -58.5 -27.3 -1.8 7.5 33.1 114 124 A D T 3 S+ 0 0 109 -3,-0.2 -1,-0.3 22,-0.0 2,-0.3 0.324 108.9 63.9 -99.0 11.8 -1.4 7.4 36.9 115 125 A Y S < S- 0 0 78 -3,-2.2 21,-0.2 1,-0.1 51,-0.2 -0.824 75.6-126.9-128.2 164.1 -3.6 10.5 37.8 116 126 A I S S- 0 0 1 49,-2.2 17,-3.0 1,-0.3 21,-0.3 0.895 87.8 -29.9 -74.2 -43.7 -7.3 11.5 37.6 117 127 A L E -Ef 132 166A 9 48,-1.1 50,-2.7 15,-0.3 2,-0.4 -0.978 54.5-114.2-160.1 170.6 -6.3 14.7 35.8 118 128 A A E +Ef 131 167A 0 13,-2.4 13,-2.4 -2,-0.3 2,-0.3 -0.949 37.5 167.4-112.7 139.5 -3.8 17.5 35.2 119 129 A A E -Ef 130 168A 0 48,-1.8 50,-3.0 -2,-0.4 2,-0.3 -0.983 34.4-108.9-148.4 155.4 -4.5 21.0 36.3 120 130 A A E - f 0 169A 0 9,-0.6 6,-3.1 6,-0.4 2,-0.4 -0.637 25.5-137.1 -86.3 138.7 -2.6 24.3 36.7 121 131 A S E Ef 125 170A 45 48,-1.5 50,-0.7 -2,-0.3 4,-0.2 -0.830 360.0 360.0 -90.3 136.8 -2.0 25.7 40.2 122 132 A H 0 0 69 2,-1.4 48,-0.1 -2,-0.4 3,-0.0 -0.629 360.0 360.0 -92.8 360.0 -2.5 29.5 40.6 123 ! 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 0.0 124 153 A Y 0 0 177 0, 0.0 -2,-1.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 154.6 -4.6 24.9 45.0 125 154 A Y E - E 0 121A 43 -4,-0.2 2,-0.3 30,-0.2 -4,-0.3 -0.684 360.0-132.8 -89.6 137.5 -5.5 23.9 41.4 126 155 A N E - 0 0 32 -6,-3.1 -6,-0.4 -2,-0.3 3,-0.4 -0.735 8.3-149.1 -85.3 145.1 -7.6 26.2 39.0 127 156 A S E S+ 0 0 22 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.259 73.4 97.5-100.4 9.8 -10.4 24.3 37.3 128 157 A G E S+ 0 0 0 1,-0.2 -33,-2.1 -8,-0.1 2,-0.4 0.643 93.6 28.0 -71.3 -19.8 -10.4 26.4 34.1 129 158 A L E S+D 94 0A 0 -3,-0.4 -9,-0.6 -35,-0.2 2,-0.4 -0.950 71.2 170.5-144.4 126.3 -8.2 23.8 32.2 130 159 A L E -DE 93 119A 3 -37,-1.7 -37,-3.1 -2,-0.4 2,-0.8 -0.971 24.1-156.1-139.3 121.4 -8.2 20.1 33.1 131 160 A L E -DE 92 118A 1 -13,-2.4 -13,-2.4 -2,-0.4 2,-0.4 -0.892 32.0-155.6 -95.9 109.7 -6.6 17.3 31.1 132 161 A I E -DE 91 117A 8 -41,-3.1 -41,-1.7 -2,-0.8 2,-1.1 -0.770 22.7-150.6-102.0 126.8 -8.8 14.5 32.3 133 162 A N E >> -D 90 0A 13 -17,-3.0 4,-2.7 -2,-0.4 3,-0.5 -0.815 18.5-173.2 -88.1 95.5 -7.9 10.8 32.4 134 163 A L H 3> S+ 0 0 0 -45,-1.3 4,-2.7 -2,-1.1 -44,-0.2 0.798 77.6 63.9 -65.9 -33.3 -11.5 9.5 31.9 135 164 A K H 34 S+ 0 0 144 -46,-1.2 4,-0.4 1,-0.2 -1,-0.2 0.899 114.5 34.0 -54.2 -43.4 -10.4 5.9 32.5 136 165 A R H X> S+ 0 0 94 -3,-0.5 4,-2.5 -47,-0.3 3,-0.7 0.863 113.7 57.6 -82.4 -37.3 -9.5 6.9 36.1 137 166 A A H 3X S+ 0 0 6 -4,-2.7 4,-2.6 -21,-0.3 -2,-0.2 0.935 104.0 54.9 -57.7 -44.2 -12.2 9.5 36.6 138 167 A R H 3< S+ 0 0 43 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.782 117.7 34.7 -60.1 -28.1 -14.9 6.9 35.9 139 168 A E H <4 S+ 0 0 149 -3,-0.7 -1,-0.2 -4,-0.4 -2,-0.2 0.741 126.7 35.9 -96.9 -29.0 -13.5 4.6 38.6 140 169 A E H < S+ 0 0 60 -4,-2.5 2,-0.8 1,-0.1 -3,-0.2 0.787 103.3 69.3 -98.4 -29.1 -12.4 7.1 41.2 141 170 A I < - 0 0 11 -4,-2.6 -1,-0.1 -5,-0.3 -60,-0.0 -0.828 63.1-171.1 -99.8 109.4 -15.0 10.0 41.0 142 171 A D > - 0 0 66 -2,-0.8 4,-1.5 1,-0.1 3,-0.2 -0.889 19.8-139.5-103.4 126.7 -18.4 8.9 42.3 143 172 A P H >> S+ 0 0 37 0, 0.0 4,-2.0 0, 0.0 3,-0.8 0.910 99.7 45.8 -48.8 -59.6 -21.4 11.2 41.8 144 173 A D H 3> S+ 0 0 114 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.881 108.0 60.5 -61.3 -31.9 -23.1 10.8 45.2 145 174 A E H 3> S+ 0 0 90 1,-0.2 4,-1.6 -3,-0.2 -1,-0.3 0.912 107.0 46.1 -53.4 -44.1 -19.7 11.2 46.9 146 175 A I H X S+ 0 0 57 -4,-1.6 4,-2.4 -5,-0.2 3,-1.0 0.944 113.0 45.8 -61.8 -52.5 -19.5 17.1 49.8 150 179 A V H 3< S+ 0 0 45 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.828 107.0 60.3 -60.6 -34.1 -21.3 20.0 48.2 151 180 A E H 3< S+ 0 0 158 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.724 115.1 33.5 -67.0 -22.2 -24.3 19.5 50.6 152 181 A D H << 0 0 130 -3,-1.0 -2,-0.2 -4,-0.8 -1,-0.2 0.831 360.0 360.0-101.3 -43.5 -22.2 20.1 53.7 153 182 A N < 0 0 135 -4,-2.4 -3,-0.0 -5,-0.2 -4,-0.0 0.272 360.0 360.0 -18.5 360.0 -19.6 22.7 52.5 154 ! 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 0.0 155 191 A Q > 0 0 36 0, 0.0 4,-1.7 0, 0.0 -30,-0.2 0.000 360.0 360.0 360.0 153.5 -12.7 24.3 42.5 156 192 A D H > + 0 0 115 2,-0.2 4,-3.2 3,-0.2 5,-0.4 0.873 360.0 54.7 -71.5 -37.6 -12.8 23.6 46.3 157 193 A I H >>S+ 0 0 5 2,-0.2 4,-2.9 1,-0.2 5,-0.7 0.967 107.2 49.7 -56.0 -52.9 -14.3 20.1 45.4 158 194 A L H >5S+ 0 0 3 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.915 119.4 36.0 -53.5 -51.4 -11.3 19.4 43.0 159 195 A N H X5S+ 0 0 38 -4,-1.7 4,-1.2 -34,-0.2 -1,-0.2 0.924 120.7 45.2 -70.5 -46.1 -8.7 20.3 45.6 160 196 A A H <5S+ 0 0 69 -4,-3.2 -2,-0.2 -5,-0.2 -3,-0.2 0.852 126.6 26.7 -72.4 -37.8 -10.4 19.0 48.8 161 197 A X H <5S+ 0 0 43 -4,-2.9 -3,-0.2 -5,-0.4 -2,-0.2 0.887 137.8 19.6 -91.8 -41.2 -11.5 15.7 47.4 162 198 A Y H ><< S+ 0 0 20 -4,-1.2 3,-1.0 1,-0.3 -1,-0.1 0.824 77.9 54.3 -59.0 -35.2 -5.9 17.1 45.3 164 200 A D G 3 S+ 0 0 134 1,-0.2 -1,-0.3 -5,-0.2 -2,-0.1 0.350 105.3 56.0 -80.5 6.2 -3.7 14.1 45.8 165 201 A R G < S+ 0 0 57 -3,-2.3 -49,-2.2 -50,-0.1 -48,-1.1 0.167 85.7 104.3-120.9 22.1 -4.7 12.7 42.4 166 202 A I E < -f 117 0A 8 -3,-1.0 -48,-0.2 -51,-0.2 -3,-0.0 -0.839 62.9-140.1-113.8 132.4 -3.7 15.7 40.2 167 203 A Y E -f 118 0A 86 -50,-2.7 -48,-1.8 -2,-0.4 2,-0.2 -0.836 34.2-125.5 -85.5 116.1 -0.8 16.1 38.0 168 204 A P E -f 119 0A 69 0, 0.0 2,-0.3 0, 0.0 -48,-0.2 -0.438 25.5-167.1 -72.6 127.1 0.4 19.8 38.5 169 205 A L E -f 120 0A 13 -50,-3.0 -48,-1.5 -2,-0.2 2,-0.5 -0.805 29.5-106.1-103.1 157.4 0.7 22.0 35.4 170 206 A D E >> -f 121 0A 79 -2,-0.3 4,-3.1 -50,-0.2 3,-1.1 -0.719 20.0-152.1 -82.4 123.6 2.5 25.4 35.4 171 207 A D H 3> S+ 0 0 6 -50,-0.7 4,-1.9 -2,-0.5 -1,-0.2 0.820 93.1 69.0 -66.1 -26.5 -0.1 28.2 35.2 172 208 A L H 34 S+ 0 0 15 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.809 116.7 24.4 -59.1 -31.2 2.4 30.5 33.5 173 209 A I H <4 S+ 0 0 28 -3,-1.1 29,-2.8 28,-0.2 30,-2.1 0.816 135.5 27.7 -97.7 -45.5 2.0 28.1 30.5 174 210 A Y H < S+ 0 0 27 -4,-3.1 -3,-0.2 28,-0.2 -2,-0.2 0.467 132.0 18.6-109.6 -0.6 -1.4 26.5 30.8 175 211 A N S < S- 0 0 0 -4,-1.9 2,-0.6 -5,-0.3 -1,-0.2 -0.273 71.9-179.7-165.1 60.5 -3.7 28.9 32.7 176 212 A Y E -h 204 0B 0 27,-2.5 29,-3.5 -3,-0.2 2,-0.9 -0.631 26.4-135.3 -79.1 116.5 -2.1 32.3 32.6 177 213 A D E > -h 205 0B 7 -2,-0.6 3,-2.4 27,-0.2 29,-0.2 -0.596 12.6-156.2 -75.7 103.2 -4.3 34.8 34.4 178 214 A A T 3 S+ 0 0 2 27,-2.6 3,-0.5 -2,-0.9 43,-0.2 0.609 86.6 65.9 -64.8 -10.9 -4.3 37.7 32.0 179 215 A R T 3 S+ 0 0 133 26,-0.4 -1,-0.3 1,-0.2 3,-0.2 0.669 96.6 58.5 -73.6 -20.5 -5.1 40.2 34.8 180 216 A N <> + 0 0 60 -3,-2.4 4,-1.9 1,-0.2 3,-0.4 -0.144 51.2 139.0-117.4 36.1 -1.7 39.6 36.4 181 217 A Y H > S+ 0 0 35 -3,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.889 79.0 50.5 -41.4 -48.2 1.1 40.4 33.9 182 218 A S H > S+ 0 0 80 -3,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.864 106.6 51.4 -64.5 -42.4 3.2 42.1 36.7 183 219 A S H > S+ 0 0 72 -3,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.906 114.1 44.4 -64.3 -45.5 3.0 39.3 39.3 184 220 A Y H X S+ 0 0 11 -4,-1.9 4,-2.1 2,-0.2 8,-0.3 0.897 112.8 52.0 -62.7 -43.4 4.2 36.7 36.8 185 221 A L H <>S+ 0 0 31 -4,-2.2 5,-2.7 -5,-0.3 7,-0.4 0.975 115.2 41.4 -57.3 -53.4 6.9 39.1 35.6 186 222 A I H ><5S+ 0 0 106 -4,-3.0 3,-2.0 1,-0.2 -2,-0.2 0.943 115.1 49.9 -58.7 -52.4 8.2 39.7 39.1 187 223 A R H 3<5S+ 0 0 129 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.820 108.3 53.9 -60.3 -30.9 7.9 36.0 40.2 188 224 A S T ><5S- 0 0 26 -4,-2.1 3,-1.3 -5,-0.2 -1,-0.3 0.308 118.9-110.7 -82.6 9.1 9.7 34.9 37.0 189 225 A K T < 5S- 0 0 193 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.937 74.2 -57.1 55.1 45.3 12.7 37.2 37.9 190 226 A K T 3 S- 0 0 21 -2,-1.9 4,-2.8 -3,-0.3 5,-0.2 -0.351 71.9 -86.0 -91.0 178.5 7.8 39.4 29.5 194 230 A L H > S+ 0 0 12 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.841 128.0 54.1 -59.0 -40.8 5.6 39.5 26.4 195 231 A A H > S+ 0 0 34 2,-0.2 4,-1.1 255,-0.2 -1,-0.2 0.951 113.9 42.3 -59.4 -47.9 8.3 38.2 24.1 196 232 A W H > S+ 0 0 49 -5,-0.2 4,-1.7 2,-0.2 3,-0.4 0.937 113.7 52.5 -62.7 -44.9 8.8 35.2 26.4 197 233 A L H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 3,-0.3 0.922 106.2 53.1 -59.0 -45.6 5.1 34.7 26.9 198 234 A X H < S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.790 113.9 43.9 -65.8 -23.8 4.3 34.7 23.2 199 235 A D H < S+ 0 0 71 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.765 131.1 17.6 -82.7 -27.7 6.9 31.9 22.7 200 236 A H H < S+ 0 0 86 -4,-1.7 -3,-0.2 -3,-0.3 -2,-0.2 0.754 93.6 93.7-121.2 -35.8 6.0 29.8 25.7 201 237 A T < - 0 0 0 -4,-2.1 -28,-0.2 -5,-0.3 -27,-0.1 -0.398 41.0-179.6 -70.3 137.1 2.5 30.4 27.1 202 238 A V + 0 0 9 -29,-2.8 -101,-2.5 1,-0.3 -100,-0.6 0.807 65.0 36.7-103.9 -39.3 -0.2 28.2 25.6 203 239 A V E -G 100 0B 0 -30,-2.1 -27,-2.5 -103,-0.2 2,-0.5 -0.969 58.4-164.9-126.4 120.6 -3.4 29.3 27.3 204 240 A L E -Gh 99 176B 0 -105,-2.8 -105,-2.0 -2,-0.5 2,-0.6 -0.872 13.2-157.4 -94.1 128.5 -4.4 32.8 28.4 205 241 A H E -Gh 98 177B 7 -29,-3.5 -27,-2.6 -2,-0.5 2,-1.5 -0.948 10.3-154.0-113.9 117.2 -7.3 32.9 30.8 206 242 A F - 0 0 4 -109,-2.4 -29,-0.1 -2,-0.6 2,-0.1 -0.586 32.2-176.7 -86.6 70.7 -9.4 36.1 31.0 207 243 A C + 0 0 15 -2,-1.5 3,-0.3 4,-0.1 -2,-0.0 -0.277 35.1 12.6 -65.5 149.9 -10.5 35.5 34.6 208 244 A G S S- 0 0 23 1,-0.2 -2,-0.0 -2,-0.1 0, 0.0 -0.176 106.5 -44.5 81.4-168.7 -12.9 37.7 36.6 209 245 A R S S+ 0 0 216 1,-0.2 2,-1.7 2,-0.1 -1,-0.2 0.749 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82.4 -71.2-155.2-167.8 -4.2 45.7 29.3 220 256 A K T 3 S+ 0 0 69 -2,-0.3 238,-0.5 1,-0.2 4,-0.3 0.746 127.2 47.6 -60.8 -25.5 -1.3 44.2 27.3 221 257 A F T 3> S+ 0 0 1 -43,-0.2 4,-2.3 1,-0.1 -1,-0.2 0.488 82.5 92.3 -98.1 -4.4 -3.5 41.5 25.9 222 258 A T H <> S+ 0 0 1 -3,-1.2 4,-2.9 1,-0.2 5,-0.3 0.918 86.3 49.8 -60.3 -49.4 -6.5 43.4 24.7 223 259 A S H > S+ 0 0 0 232,-0.5 4,-2.3 -4,-0.4 -1,-0.2 0.928 111.6 50.8 -57.6 -40.7 -5.3 44.0 21.1 224 260 A L H > S+ 0 0 0 -4,-0.3 4,-1.9 231,-0.2 -1,-0.2 0.904 112.5 44.4 -62.6 -46.1 -4.5 40.3 20.8 225 261 A Y H X S+ 0 0 1 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.932 113.2 50.2 -67.2 -45.1 -7.9 39.2 22.0 226 262 A K H X S+ 0 0 12 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.861 107.7 55.6 -62.9 -33.3 -9.8 41.7 19.9 227 263 A H H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.3 -1,-0.2 0.935 107.6 48.5 -64.2 -42.7 -7.8 40.6 16.9 228 264 A Y H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.851 106.3 57.4 -66.4 -30.6 -9.0 37.0 17.5 229 265 A X H X S+ 0 0 43 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.916 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