==== 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 11-OCT-05 2B98 . COMPND 2 MOLECULE: RIBOFLAVIN SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR A.RAMSPERGER,M.AUGUSTIN,A.K.SCHOTT,S.GERHARDT,T.KROJER,W.EIS . 726 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29231.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 556 76.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 95 13.1 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 . 56 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 310 42.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.7 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 4 0 0 0 0 10 0 0 0 0 0 0 1 0 4 0 0 0 3 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 5 5 0 5 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 5 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 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 3 A K 0 0 120 0, 0.0 30,-3.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 160.9 12.8 -0.3 -27.4 2 4 A K E -a 31 0A 49 28,-0.2 55,-3.2 53,-0.1 56,-1.2 -0.976 360.0-167.9-131.3 124.1 11.2 -3.2 -25.6 3 5 A V E -ab 32 58A 0 28,-2.6 30,-2.1 -2,-0.4 2,-0.4 -0.902 12.1-146.7-110.6 133.0 7.6 -3.8 -24.5 4 6 A G E -ab 33 59A 0 54,-2.5 56,-3.1 -2,-0.4 2,-0.5 -0.849 10.7-161.1 -94.0 134.1 6.5 -6.5 -22.0 5 7 A I E -ab 34 60A 0 28,-3.2 30,-2.0 -2,-0.4 2,-0.5 -0.955 8.8-176.1-120.1 113.9 3.0 -8.1 -22.7 6 8 A V E +ab 35 61A 0 54,-3.3 56,-3.4 -2,-0.5 30,-0.2 -0.933 12.2 157.3-116.0 120.4 1.4 -9.9 -19.8 7 9 A D E -a 36 0A 3 28,-1.6 30,-2.7 -2,-0.5 2,-0.3 -0.607 28.4-116.5-125.7-169.7 -1.9 -11.7 -20.1 8 10 A T E -a 37 0A 2 28,-0.2 274,-3.5 -2,-0.2 31,-0.2 -0.798 12.1-141.4-127.9 164.3 -3.9 -14.5 -18.4 9 11 A T S S+ 0 0 34 29,-1.1 30,-0.2 28,-1.1 -1,-0.1 0.794 104.8 62.4 -86.5 -36.8 -5.3 -18.0 -19.2 10 12 A F S S+ 0 0 128 28,-2.4 29,-0.1 27,-0.3 -1,-0.1 0.778 83.7 99.4 -57.4 -36.4 -8.5 -17.1 -17.2 11 13 A A - 0 0 6 27,-0.2 3,-0.0 51,-0.1 -4,-0.0 -0.118 68.4-143.2 -51.0 153.8 -9.3 -14.2 -19.6 12 14 A R S S+ 0 0 106 52,-0.1 2,-0.3 1,-0.1 271,-0.2 0.311 78.4 49.5-109.1 3.9 -12.0 -14.9 -22.3 13 15 A V S S- 0 0 6 270,-0.2 2,-0.9 100,-0.0 3,-0.2 -0.993 81.9-119.2-137.6 142.8 -10.4 -12.9 -25.3 14 16 A D + 0 0 27 -2,-0.3 4,-0.2 268,-0.2 268,-0.1 -0.766 43.6 158.6 -78.2 107.3 -6.9 -12.9 -26.7 15 17 A M > + 0 0 3 -2,-0.9 4,-1.9 2,-0.1 3,-0.5 0.737 63.5 67.5 -97.6 -33.3 -5.9 -9.3 -26.2 16 18 A A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.839 97.8 51.0 -53.6 -45.2 -2.1 -10.0 -26.4 17 19 A S H > S+ 0 0 56 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.801 111.4 49.0 -65.9 -30.9 -2.1 -10.9 -30.1 18 20 A I H > S+ 0 0 35 -3,-0.5 4,-1.7 2,-0.2 -2,-0.2 0.820 111.3 48.1 -79.7 -35.6 -4.0 -7.8 -30.9 19 21 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.909 112.0 49.9 -69.2 -43.2 -1.7 -5.5 -28.9 20 22 A I H X S+ 0 0 25 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.906 109.3 51.7 -61.9 -46.2 1.4 -7.1 -30.5 21 23 A K H X S+ 0 0 148 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.940 112.8 43.9 -56.3 -53.5 0.0 -6.7 -34.1 22 24 A K H X S+ 0 0 33 -4,-1.7 4,-2.3 1,-0.2 5,-0.2 0.911 114.2 52.1 -57.8 -44.8 -0.7 -3.0 -33.7 23 25 A L H X S+ 0 0 4 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.917 110.7 44.1 -60.6 -50.8 2.7 -2.5 -32.0 24 26 A K H < S+ 0 0 113 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.750 111.5 58.8 -69.2 -23.9 4.8 -4.1 -34.7 25 27 A E H < S+ 0 0 109 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.953 112.8 35.7 -59.7 -56.1 2.6 -2.2 -37.2 26 28 A L H < S+ 0 0 56 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.772 136.9 19.5 -76.0 -29.0 3.6 1.2 -35.7 27 29 A S >< - 0 0 19 -4,-2.2 3,-1.7 -5,-0.2 -1,-0.3 -0.790 65.5-169.6-146.2 95.2 7.2 0.2 -34.9 28 30 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.788 86.5 48.5 -59.4 -32.1 8.5 -2.8 -36.8 29 31 A N T 3 S+ 0 0 132 2,-0.1 2,-0.3 -5,-0.0 -5,-0.1 0.084 75.7 124.8-103.5 21.6 11.7 -3.1 -34.7 30 32 A I < - 0 0 11 -3,-1.7 2,-0.3 -7,-0.2 -28,-0.2 -0.649 62.3-127.6 -70.2 134.4 10.1 -2.9 -31.2 31 33 A K E -a 2 0A 123 -30,-3.0 -28,-2.6 -2,-0.3 2,-0.4 -0.710 25.1-156.8 -86.2 138.6 11.2 -5.9 -29.2 32 34 A I E -a 3 0A 37 -2,-0.3 2,-0.4 -30,-0.2 -28,-0.2 -0.962 13.4-176.0-121.3 134.7 8.3 -7.9 -27.7 33 35 A I E -a 4 0A 60 -30,-2.1 -28,-3.2 -2,-0.4 2,-0.3 -0.998 10.8-160.7-128.7 131.1 8.3 -10.2 -24.7 34 36 A R E +a 5 0A 79 -2,-0.4 2,-0.3 -30,-0.2 -28,-0.2 -0.803 12.4 177.0-109.9 148.1 5.3 -12.2 -23.5 35 37 A K E -a 6 0A 40 -30,-2.0 -28,-1.6 -2,-0.3 2,-0.5 -0.946 13.1-156.1-146.7 129.5 4.4 -13.9 -20.2 36 38 A T E -a 7 0A 2 238,-0.3 -28,-0.2 -2,-0.3 242,-0.2 -0.898 10.8-173.8-106.9 131.9 1.1 -15.6 -19.5 37 39 A V E -a 8 0A 0 -30,-2.7 -28,-1.1 -2,-0.5 -27,-0.3 -0.844 32.2-118.1-117.2 157.2 -0.1 -16.0 -15.9 38 40 A P S S+ 0 0 7 0, 0.0 -28,-2.4 0, 0.0 -29,-1.1 0.972 86.0 8.7 -55.7 -57.1 -3.1 -18.0 -14.7 39 41 A G S > S- 0 0 15 -31,-0.2 3,-1.9 -30,-0.2 4,-0.2 -0.742 75.4 -99.5-133.4 167.9 -5.1 -15.1 -13.2 40 42 A I G > S+ 0 0 24 1,-0.3 3,-1.4 -2,-0.2 -1,-0.0 0.791 116.3 60.7 -54.4 -36.9 -5.4 -11.3 -12.7 41 43 A K G 3 S+ 0 0 31 1,-0.2 -1,-0.3 2,-0.1 4,-0.3 0.642 101.0 56.5 -65.7 -15.6 -3.8 -11.5 -9.2 42 44 A D G <> S+ 0 0 10 -3,-1.9 4,-1.0 1,-0.1 -1,-0.2 0.426 86.5 85.4 -97.2 0.6 -0.7 -12.9 -10.8 43 45 A L H <> S+ 0 0 0 -3,-1.4 4,-2.9 -4,-0.2 5,-0.2 0.942 77.9 57.0 -70.3 -50.7 -0.2 -9.9 -13.1 44 46 A P H > S+ 0 0 0 0, 0.0 4,-3.0 0, 0.0 -1,-0.2 0.848 108.6 44.2 -55.3 -44.0 1.7 -7.4 -11.0 45 47 A V H > S+ 0 0 0 -4,-0.3 4,-3.2 2,-0.2 5,-0.2 0.913 114.1 51.3 -70.0 -38.8 4.8 -9.5 -10.1 46 48 A A H X S+ 0 0 0 -4,-1.0 4,-2.0 2,-0.2 -1,-0.2 0.941 111.9 47.4 -59.8 -47.7 5.0 -10.8 -13.7 47 49 A C H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.941 114.0 47.0 -56.8 -49.8 4.9 -7.2 -14.9 48 50 A K H X S+ 0 0 14 -4,-3.0 4,-2.4 1,-0.2 5,-0.3 0.885 110.4 52.1 -61.1 -42.0 7.5 -6.2 -12.3 49 51 A K H X>S+ 0 0 38 -4,-3.2 4,-2.7 2,-0.2 5,-0.7 0.873 111.1 48.2 -60.8 -37.8 9.8 -9.1 -13.2 50 52 A L H X5S+ 0 0 8 -4,-2.0 6,-1.8 -5,-0.2 4,-0.9 0.926 112.8 47.9 -69.8 -44.4 9.6 -8.1 -16.9 51 53 A L H <5S+ 0 0 1 -4,-2.4 -2,-0.2 4,-0.2 4,-0.2 0.918 126.2 26.3 -59.1 -45.2 10.4 -4.5 -16.2 52 54 A E H <5S+ 0 0 95 -4,-2.4 -2,-0.2 -5,-0.1 -3,-0.2 0.745 131.4 30.5 -97.5 -28.9 13.4 -5.3 -13.9 53 55 A E H <5S+ 0 0 99 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.1 0.652 124.3 41.3-107.9 -19.7 14.8 -8.7 -15.0 54 56 A E S < S- 0 0 48 1,-0.1 4,-1.5 3,-0.1 5,-0.1 -0.098 81.2-118.7 -59.5 155.0 -19.3 -10.6 -9.6 69 71 A E H > S+ 0 0 121 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.834 119.2 56.2 -58.8 -33.7 -18.6 -8.2 -6.6 70 72 A K H > S+ 0 0 81 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.856 104.9 50.6 -66.0 -37.9 -15.8 -10.7 -5.8 71 73 A D H > S+ 0 0 41 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.823 110.0 50.8 -68.8 -32.9 -14.3 -10.3 -9.3 72 74 A K H X S+ 0 0 88 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.872 108.8 49.4 -74.0 -41.6 -14.3 -6.5 -8.8 73 75 A V H X S+ 0 0 58 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.925 113.2 48.9 -61.1 -44.5 -12.6 -6.6 -5.5 74 76 A C H X S+ 0 0 20 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.893 110.2 49.8 -59.2 -47.5 -10.0 -8.9 -7.1 75 77 A A H X S+ 0 0 3 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.820 109.3 52.8 -59.1 -38.0 -9.5 -6.5 -10.1 76 78 A H H X S+ 0 0 32 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.883 109.4 47.7 -68.3 -41.5 -9.1 -3.6 -7.6 77 79 A E H X S+ 0 0 4 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.868 111.4 52.7 -62.9 -40.7 -6.3 -5.5 -5.7 78 80 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.924 108.3 49.3 -60.1 -46.9 -4.8 -6.3 -9.1 79 81 A S H X S+ 0 0 3 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.789 109.6 51.1 -66.4 -33.1 -4.8 -2.6 -10.1 80 82 A L H X S+ 0 0 17 -4,-1.6 4,-3.0 2,-0.2 -1,-0.2 0.884 109.1 51.7 -70.6 -40.5 -3.2 -1.5 -6.9 81 83 A G H X S+ 0 0 3 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.939 110.7 48.0 -56.5 -50.8 -0.5 -4.1 -7.4 82 84 A L H X S+ 0 0 1 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.878 112.0 50.1 -57.7 -42.2 0.2 -2.8 -10.9 83 85 A M H X S+ 0 0 3 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.928 113.1 44.7 -64.3 -44.1 0.3 0.8 -9.5 84 86 A L H X S+ 0 0 29 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.899 109.6 57.5 -65.9 -37.0 2.8 -0.2 -6.7 85 87 A A H X S+ 0 0 0 -4,-2.9 4,-0.8 1,-0.2 -1,-0.2 0.852 106.8 49.0 -60.6 -37.5 4.8 -2.2 -9.3 86 88 A Q H <>S+ 0 0 5 -4,-1.6 5,-0.8 2,-0.2 -1,-0.2 0.795 109.8 50.7 -69.5 -36.0 5.2 1.0 -11.4 87 89 A L H <5S+ 0 0 0 -4,-1.3 -2,-0.2 1,-0.2 3,-0.2 0.808 108.5 51.0 -73.7 -31.3 6.3 3.1 -8.5 88 90 A M H <5S+ 0 0 63 -4,-1.8 2,-0.4 1,-0.3 -1,-0.2 0.717 120.8 36.3 -79.2 -21.5 9.0 0.7 -7.4 89 91 A T T <5S- 0 0 10 -4,-0.8 2,-5.6 2,-0.2 -1,-0.3 -0.960 93.6-128.5-129.7 112.9 10.4 0.6 -10.9 90 92 A N T 5S+ 0 0 36 -2,-0.4 2,-0.3 -3,-0.2 -3,-0.1 -0.075 74.4 111.3 -63.6 53.8 10.1 4.0 -12.5 91 93 A K < - 0 0 61 -2,-5.6 -2,-0.2 -5,-0.8 -33,-0.1 -0.967 68.1-113.9-132.2 141.9 8.4 2.4 -15.5 92 94 A H - 0 0 14 -35,-0.4 -33,-1.4 -2,-0.3 2,-0.4 -0.425 18.9-166.6 -70.0 144.9 4.8 2.6 -16.9 93 95 A I E -c 59 0A 2 -35,-0.2 2,-0.7 -2,-0.1 -33,-0.2 -0.984 16.5-144.4-125.6 123.5 2.5 -0.4 -16.9 94 96 A I E -c 60 0A 0 -35,-3.2 -33,-2.1 -2,-0.4 2,-0.5 -0.807 13.5-143.8 -93.5 115.6 -0.5 0.1 -19.2 95 97 A E E -c 61 0A 31 -2,-0.7 2,-0.5 -35,-0.2 -33,-0.2 -0.683 18.4-177.2 -83.4 121.8 -3.5 -1.6 -17.7 96 98 A V E +c 62 0A 0 -35,-3.5 -33,-2.3 -2,-0.5 2,-0.5 -0.805 18.3 161.7-116.4 83.7 -5.9 -3.1 -20.2 97 99 A F E -c 63 0A 7 -2,-0.5 2,-0.6 -35,-0.2 -33,-0.2 -0.930 16.7-172.9-103.2 124.9 -8.7 -4.4 -18.0 98 100 A V - 0 0 1 -35,-2.1 2,-0.2 -2,-0.5 15,-0.1 -0.920 11.7-153.8-120.5 101.2 -12.0 -5.2 -19.7 99 101 A H > - 0 0 28 -2,-0.6 3,-2.4 -35,-0.2 4,-0.3 -0.540 23.2-128.5 -72.1 138.9 -14.8 -6.1 -17.3 100 102 A E G > S+ 0 0 25 -35,-2.0 3,-1.0 1,-0.3 -1,-0.1 0.746 108.1 75.6 -54.0 -24.3 -17.6 -8.2 -18.6 101 103 A D G 3 S+ 0 0 89 -35,-0.4 -1,-0.3 1,-0.2 -34,-0.1 0.695 82.9 64.8 -51.6 -30.5 -19.6 -5.4 -17.1 102 104 A E G < S+ 0 0 53 -3,-2.4 2,-0.3 7,-0.0 -1,-0.2 0.588 102.0 43.5 -85.1 -14.6 -18.7 -3.1 -19.9 103 105 A A S < S- 0 0 15 -3,-1.0 2,-0.3 -4,-0.3 3,-0.0 -0.856 72.2-129.2-123.2 159.6 -20.5 -4.9 -22.8 104 106 A K S > S- 0 0 146 -2,-0.3 4,-0.5 2,-0.0 5,-0.4 -0.800 81.7 -0.8 -95.8 153.3 -23.8 -6.6 -23.3 105 107 A D H > S- 0 0 103 -2,-0.3 4,-1.5 3,-0.2 5,-0.0 0.493 86.9 -91.0 43.3 163.9 -23.3 -10.1 -24.8 106 108 A D H > S+ 0 0 104 2,-0.2 4,-3.5 3,-0.2 5,-0.2 0.787 120.1 67.8 -70.1 -33.2 -20.0 -11.8 -25.6 107 109 A K H > S+ 0 0 171 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.972 109.3 34.4 -51.7 -59.4 -20.2 -10.5 -29.2 108 110 A E H X S+ 0 0 77 -4,-0.5 4,-3.0 1,-0.2 5,-0.2 0.855 116.1 58.3 -64.5 -37.4 -19.7 -6.9 -28.0 109 111 A L H X S+ 0 0 7 -4,-1.5 4,-2.1 -5,-0.4 -2,-0.2 0.929 106.8 47.0 -56.5 -50.4 -17.4 -8.1 -25.2 110 112 A D H X S+ 0 0 62 -4,-3.5 4,-1.9 1,-0.2 -2,-0.2 0.919 115.3 45.9 -56.7 -48.5 -15.0 -9.7 -27.8 111 113 A W H X S+ 0 0 153 -4,-1.9 4,-2.5 -5,-0.2 -2,-0.2 0.894 112.1 49.7 -64.9 -45.2 -15.0 -6.6 -30.0 112 114 A L H X S+ 0 0 33 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.838 110.1 50.5 -64.7 -37.6 -14.5 -4.1 -27.1 113 115 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.936 112.6 48.0 -63.6 -46.7 -11.5 -6.1 -25.6 114 116 A K H X S+ 0 0 75 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.898 112.8 46.7 -57.7 -49.2 -10.0 -6.2 -29.1 115 117 A R H X S+ 0 0 95 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.904 112.5 50.2 -64.8 -42.8 -10.4 -2.4 -29.7 116 118 A R H X S+ 0 0 61 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.905 107.3 52.9 -62.0 -45.8 -9.1 -1.5 -26.2 117 119 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.886 113.7 46.7 -54.0 -40.1 -5.9 -3.7 -26.7 118 120 A E H X S+ 0 0 47 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.945 112.3 44.9 -69.1 -53.3 -5.4 -1.8 -29.9 119 121 A E H X S+ 0 0 97 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.863 116.5 47.9 -64.5 -34.2 -6.0 1.8 -28.7 120 122 A H H X S+ 0 0 41 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.870 107.0 55.5 -72.0 -39.6 -3.8 1.1 -25.6 121 123 A A H X S+ 0 0 0 -4,-1.8 4,-2.1 -5,-0.3 -2,-0.2 0.868 107.8 51.2 -57.8 -38.1 -1.1 -0.4 -27.8 122 124 A E H X S+ 0 0 45 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.896 107.3 52.1 -61.5 -45.7 -1.1 2.9 -29.7 123 125 A N H X S+ 0 0 28 -4,-1.6 4,-3.0 2,-0.2 -2,-0.2 0.892 108.4 51.7 -59.2 -40.9 -0.8 4.8 -26.4 124 126 A V H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.928 108.9 50.2 -61.3 -46.5 2.2 2.6 -25.6 125 127 A Y H X S+ 0 0 54 -4,-2.1 4,-2.0 2,-0.2 5,-0.5 0.923 112.5 48.2 -56.0 -44.5 3.7 3.5 -28.9 126 128 A Y H X S+ 0 0 33 -4,-2.6 4,-1.1 2,-0.2 -2,-0.2 0.933 108.3 51.7 -64.3 -49.8 3.1 7.2 -28.3 127 129 A L H < S+ 0 0 31 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.908 116.4 43.7 -50.9 -42.3 4.6 7.1 -24.8 128 130 A L H < S+ 0 0 34 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.800 136.4 3.5 -73.7 -33.9 7.7 5.5 -26.3 129 131 A F H < S+ 0 0 81 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.717 132.5 32.7-128.7 -38.2 8.1 7.6 -29.5 130 132 A K >X + 0 0 100 -4,-1.1 3,-2.5 -5,-0.5 4,-0.8 -0.378 56.6 154.1-126.5 55.5 5.7 10.5 -29.8 131 133 A P H 3> S+ 0 0 59 0, 0.0 4,-1.0 0, 0.0 484,-0.3 0.703 72.4 65.0 -61.3 -18.2 4.9 11.7 -26.2 132 134 A E H 3> S+ 0 0 92 1,-0.2 4,-1.2 2,-0.2 -5,-0.1 0.551 91.0 62.6 -81.5 -13.0 4.1 15.2 -27.7 133 135 A Y H <> S+ 0 0 83 -3,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.818 101.1 53.0 -74.5 -35.6 1.1 13.8 -29.5 134 136 A L H < S+ 0 0 1 -4,-0.8 -2,-0.2 2,-0.2 3,-0.2 0.910 106.6 52.3 -65.2 -38.7 -0.4 12.9 -26.2 135 137 A T H >< S+ 0 0 45 -4,-1.0 3,-1.1 1,-0.2 -1,-0.2 0.867 105.8 54.0 -62.4 -39.2 0.2 16.6 -25.1 136 138 A R H 3< S+ 0 0 190 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.834 112.8 44.9 -59.1 -34.4 -1.7 17.8 -28.2 137 139 A M T >< S+ 0 0 48 -4,-1.4 3,-1.3 4,-0.2 -1,-0.2 0.272 83.0 131.2 -96.8 8.2 -4.5 15.5 -27.1 138 140 A A T < S+ 0 0 5 -3,-1.1 450,-0.3 1,-0.3 455,-0.1 -0.464 78.7 15.7 -65.4 129.0 -4.4 16.5 -23.4 139 141 A G T 3 S- 0 0 10 448,-2.1 2,-1.3 -2,-0.2 -1,-0.3 0.755 131.4 -76.8 74.7 28.5 -7.9 17.4 -22.1 140 142 A K < 0 0 114 -3,-1.3 -1,-0.2 448,-0.5 451,-0.1 -0.671 360.0 360.0 82.0 -78.5 -9.3 15.6 -25.2 141 143 A G 0 0 93 -2,-1.3 -4,-0.2 450,-0.1 -3,-0.1 -0.220 360.0 360.0-105.4 360.0 -8.7 18.2 -27.9 142 !* 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 0.0 143 2 B T 0 0 146 0, 0.0 2,-0.3 0, 0.0 30,-0.1 0.000 360.0 360.0 360.0 174.3 16.3 -27.5 -9.1 144 3 B K - 0 0 70 28,-0.3 30,-3.2 55,-0.0 2,-0.4 -0.840 360.0-161.2-112.9 146.1 13.0 -25.9 -8.0 145 4 B K E -d 174 0B 51 -2,-0.3 55,-2.2 28,-0.2 56,-1.3 -0.992 2.8-168.7-127.3 126.3 11.6 -25.2 -4.5 146 5 B V E -de 175 201B 0 28,-3.0 30,-2.0 -2,-0.4 2,-0.4 -0.942 9.9-152.3-111.5 132.1 7.9 -24.6 -3.7 147 6 B G E -de 176 202B 0 54,-2.1 56,-2.5 -2,-0.4 2,-0.5 -0.826 7.9-156.3-101.0 142.6 6.8 -23.3 -0.3 148 7 B I E -de 177 203B 0 28,-2.7 30,-2.7 -2,-0.4 2,-0.5 -0.950 10.0-175.9-128.7 111.6 3.3 -24.2 1.0 149 8 B V E +de 178 204B 0 54,-2.9 56,-3.0 -2,-0.5 30,-0.2 -0.930 15.7 153.2-114.0 120.3 1.6 -22.0 3.5 150 9 B D E -d 179 0B 7 28,-1.8 30,-2.8 -2,-0.5 2,-0.3 -0.595 29.1-113.0-130.7-169.2 -1.8 -23.0 5.0 151 10 B T E -d 180 0B 5 28,-0.2 425,-0.8 -2,-0.2 31,-0.2 -0.839 13.6-138.6-132.9 164.1 -3.9 -22.5 8.1 152 11 B T S S+ 0 0 34 28,-1.3 425,-1.5 29,-0.7 30,-0.1 0.717 103.1 62.8 -86.3 -26.6 -5.4 -24.2 11.2 153 12 B F S S+ 0 0 126 28,-1.5 29,-0.1 27,-0.3 -1,-0.1 0.831 82.2 92.2 -69.7 -39.2 -8.6 -22.3 10.7 154 13 B A - 0 0 5 51,-0.1 -4,-0.0 1,-0.1 51,-0.0 -0.170 68.8-143.6 -58.2 153.7 -9.6 -23.7 7.3 155 14 B R S S+ 0 0 79 421,-0.1 2,-0.4 52,-0.1 -1,-0.1 0.492 80.1 59.6-102.6 -8.9 -11.8 -26.8 7.3 156 15 B V S S- 0 0 12 421,-0.1 2,-0.9 96,-0.0 3,-0.2 -0.961 79.8-129.8-117.1 139.5 -10.2 -28.6 4.3 157 16 B D + 0 0 55 -2,-0.4 4,-0.4 1,-0.2 419,-0.1 -0.823 36.9 163.7 -83.6 106.0 -6.6 -29.7 4.1 158 17 B M > + 0 0 4 -2,-0.9 4,-2.0 2,-0.1 -1,-0.2 0.674 63.2 72.1 -95.0 -24.4 -5.6 -28.3 0.7 159 18 B A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.860 97.9 48.6 -60.0 -39.5 -1.8 -28.6 1.3 160 19 B S H > S+ 0 0 58 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.875 109.7 52.8 -67.8 -40.3 -1.9 -32.4 1.0 161 20 B I H > S+ 0 0 31 -4,-0.4 4,-1.5 1,-0.2 -2,-0.2 0.878 115.0 40.8 -60.6 -42.5 -3.9 -32.1 -2.2 162 21 B A H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.893 111.4 53.2 -80.0 -43.1 -1.3 -29.7 -3.8 163 22 B I H X S+ 0 0 26 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.948 111.6 47.8 -53.4 -53.9 1.9 -31.4 -2.5 164 23 B K H X S+ 0 0 150 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.916 112.7 48.0 -54.8 -50.2 0.7 -34.7 -4.0 165 24 B K H >X S+ 0 0 31 -4,-1.5 4,-1.7 1,-0.2 3,-0.6 0.935 112.1 51.0 -54.9 -47.3 -0.2 -33.1 -7.3 166 25 B L H 3X S+ 0 0 2 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.826 108.8 50.0 -61.7 -36.7 3.2 -31.3 -7.4 167 26 B K H 3< S+ 0 0 112 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.682 108.2 52.9 -80.7 -20.6 5.2 -34.5 -6.8 168 27 B E H << S+ 0 0 124 -4,-1.3 -2,-0.2 -3,-0.6 -1,-0.2 0.864 112.1 42.9 -80.4 -40.5 3.4 -36.4 -9.6 169 28 B L H < S+ 0 0 53 -4,-1.7 -2,-0.2 1,-0.3 -3,-0.1 0.852 138.2 10.2 -72.5 -37.4 4.1 -33.8 -12.3 170 29 B S >< - 0 0 16 -4,-1.6 3,-1.8 -5,-0.2 -1,-0.3 -0.725 66.1-172.0-146.2 89.7 7.7 -33.3 -11.2 171 30 B P T 3 S+ 0 0 98 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.616 83.1 60.8 -62.9 -13.7 9.0 -35.7 -8.6 172 31 B N T 3 S+ 0 0 111 2,-0.1 -28,-0.3 0, 0.0 2,-0.2 0.209 74.1 120.2 -99.8 16.6 12.2 -33.8 -8.1 173 32 B I < - 0 0 13 -3,-1.8 2,-0.3 -7,-0.2 -28,-0.2 -0.584 62.6-127.5 -74.8 138.8 10.6 -30.5 -6.8 174 33 B K E -d 145 0B 120 -30,-3.2 -28,-3.0 -2,-0.2 2,-0.4 -0.714 24.2-159.1 -88.0 141.9 11.6 -29.5 -3.3 175 34 B I E +d 146 0B 43 -2,-0.3 2,-0.4 -30,-0.2 -28,-0.2 -0.979 15.6 178.5-129.1 123.4 8.8 -28.8 -0.8 176 35 B I E -d 147 0B 67 -30,-2.0 -28,-2.7 -2,-0.4 2,-0.3 -0.996 15.8-158.9-122.2 129.9 8.8 -26.7 2.4 177 36 B R E +d 148 0B 80 -2,-0.4 2,-0.3 -30,-0.2 -28,-0.2 -0.758 12.3 178.4-107.1 147.5 5.6 -26.4 4.4 178 37 B K E -d 149 0B 38 -30,-2.7 -28,-1.8 -2,-0.3 2,-0.4 -0.964 10.6-158.3-149.2 132.5 4.5 -23.8 7.0 179 38 B T E -d 150 0B 4 389,-0.4 -28,-0.2 -2,-0.3 393,-0.2 -0.943 8.3-172.3-116.0 135.2 1.2 -23.5 8.8 180 39 B V E -d 151 0B 0 -30,-2.8 -28,-1.3 -2,-0.4 -27,-0.3 -0.844 33.7-114.2-122.7 155.6 -0.2 -20.3 10.4 181 40 B P S S+ 0 0 9 0, 0.0 -28,-1.5 0, 0.0 -29,-0.7 0.942 89.3 1.8 -55.7 -50.7 -3.3 -19.8 12.7 182 41 B G S > S- 0 0 17 -31,-0.2 3,-1.9 -30,-0.1 4,-0.3 -0.818 78.1 -92.4-140.3 173.1 -5.2 -17.7 10.2 183 42 B I G > S+ 0 0 25 1,-0.3 3,-1.0 -2,-0.3 -1,-0.0 0.737 116.1 60.9 -58.7 -30.2 -5.4 -16.1 6.8 184 43 B K G 3 S+ 0 0 36 1,-0.2 -1,-0.3 2,-0.2 4,-0.3 0.555 98.8 57.9 -77.7 -7.8 -3.9 -12.8 8.0 185 44 B D G <> S+ 0 0 11 -3,-1.9 4,-1.2 1,-0.1 -1,-0.2 0.487 86.0 84.1 -98.0 -5.4 -0.7 -14.5 9.0 186 45 B L H <> S+ 0 0 0 -3,-1.0 4,-2.5 -4,-0.3 5,-0.2 0.888 77.6 62.9 -63.0 -47.3 -0.2 -15.9 5.5 187 46 B P H > S+ 0 0 1 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.909 108.1 38.1 -51.1 -55.0 1.6 -12.8 4.0 188 47 B V H > S+ 0 0 0 -4,-0.3 4,-3.3 2,-0.2 5,-0.2 0.904 115.3 54.3 -62.8 -41.9 4.8 -12.8 6.2 189 48 B A H X S+ 0 0 0 -4,-1.2 4,-2.1 1,-0.2 -1,-0.2 0.907 110.1 46.8 -61.7 -43.0 5.1 -16.6 6.3 190 49 B C H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.933 113.4 48.0 -60.3 -48.9 5.0 -16.6 2.5 191 50 B K H X S+ 0 0 14 -4,-2.2 4,-3.1 -5,-0.2 5,-0.3 0.911 111.0 51.7 -59.1 -44.4 7.6 -13.8 2.3 192 51 B K H X>S+ 0 0 48 -4,-3.3 4,-2.9 2,-0.2 5,-0.9 0.905 110.5 47.9 -56.0 -45.5 9.8 -15.6 4.8 193 52 B L H X5S+ 0 0 8 -4,-2.1 6,-1.8 3,-0.2 4,-0.8 0.909 116.2 45.3 -65.8 -40.2 9.7 -18.9 2.8 194 53 B L H <5S+ 0 0 0 -4,-2.4 4,-0.2 4,-0.2 -2,-0.2 0.921 125.2 29.2 -64.7 -47.7 10.5 -16.9 -0.3 195 54 B E H <5S+ 0 0 93 -4,-3.1 -2,-0.2 -5,-0.2 -3,-0.2 0.715 132.5 28.2 -93.1 -24.5 13.3 -14.8 1.1 196 55 B E H <5S+ 0 0 97 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.1 0.694 123.8 41.4-113.2 -28.3 14.8 -17.0 3.9 197 56 B E S <> S- 0 0 51 1,-0.1 4,-1.3 3,-0.1 3,-1.1 -0.177 82.0-114.6 -63.2 155.8 -19.6 -12.9 6.7 212 71 B E H 3> S+ 0 0 121 1,-0.3 4,-0.8 2,-0.2 -1,-0.1 0.700 120.4 54.7 -59.9 -20.7 -19.0 -9.3 5.3 213 72 B K H 3> S+ 0 0 86 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.612 101.8 56.5 -88.9 -18.5 -16.1 -9.1 7.9 214 73 B D H <> S+ 0 0 37 -3,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.796 102.1 56.1 -77.4 -32.6 -14.5 -12.3 6.5 215 74 B K H X S+ 0 0 83 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.857 107.1 49.4 -66.8 -37.8 -14.4 -10.7 3.0 216 75 B V H X S+ 0 0 58 -4,-0.8 4,-2.9 2,-0.2 -1,-0.2 0.901 110.4 49.7 -65.7 -46.1 -12.4 -7.7 4.4 217 76 B C H X S+ 0 0 20 -4,-1.3 4,-2.7 2,-0.2 -2,-0.2 0.926 113.9 45.7 -57.4 -49.8 -9.9 -10.1 6.2 218 77 B A H X S+ 0 0 3 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.880 113.7 48.7 -58.2 -45.6 -9.4 -12.1 3.0 219 78 B H H X S+ 0 0 30 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.856 111.5 51.4 -62.9 -38.4 -9.1 -8.8 1.0 220 79 B E H X S+ 0 0 5 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.956 112.9 44.8 -58.3 -52.7 -6.6 -7.7 3.7 221 80 B A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.879 109.2 55.1 -61.3 -44.3 -4.6 -10.9 3.3 222 81 B S H X S+ 0 0 2 -4,-2.9 4,-1.9 2,-0.2 -1,-0.2 0.843 107.6 51.1 -58.3 -38.8 -4.7 -10.8 -0.5 223 82 B L H X S+ 0 0 26 -4,-1.5 4,-2.8 2,-0.2 -1,-0.2 0.920 108.8 49.9 -65.0 -46.9 -3.2 -7.3 -0.4 224 83 B G H X S+ 0 0 1 -4,-1.9 4,-3.4 1,-0.2 -2,-0.2 0.914 109.6 53.0 -54.6 -44.7 -0.4 -8.5 1.9 225 84 B L H X S+ 0 0 2 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.888 110.5 46.3 -60.0 -41.4 0.2 -11.4 -0.6 226 85 B M H X S+ 0 0 7 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.903 113.7 48.2 -69.4 -42.3 0.5 -9.0 -3.5 227 86 B L H X S+ 0 0 24 -4,-2.8 4,-1.9 2,-0.2 5,-0.3 0.958 109.2 53.7 -59.5 -50.2 2.8 -6.7 -1.5 228 87 B A H X S+ 0 0 0 -4,-3.4 4,-0.9 1,-0.2 -2,-0.2 0.859 110.0 49.2 -52.7 -40.3 5.0 -9.7 -0.4 229 88 B 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2,-0.1 -5,-0.1 -29,-0.0 0, 0.0 0.460 76.5 127.5-104.0 -6.7 11.0 32.6 -13.9 609 32 E I < - 0 0 14 -3,-2.0 2,-0.4 -7,-0.2 -28,-0.2 -0.199 61.1-122.2 -51.3 138.8 9.8 29.2 -12.6 610 33 E K E -m 581 0E 113 -30,-2.8 -28,-2.8 -31,-0.2 2,-0.4 -0.723 30.3-160.5 -81.1 135.6 10.9 26.2 -14.6 611 34 E I E -m 582 0E 39 -2,-0.4 2,-0.5 -30,-0.2 -28,-0.2 -0.977 10.5-168.9-127.0 127.1 7.9 24.2 -15.9 612 35 E I E -m 583 0E 48 -30,-3.2 -28,-3.5 -2,-0.4 2,-0.4 -0.953 7.3-164.1-116.9 123.6 7.8 20.6 -17.1 613 36 E R E +m 584 0E 78 -2,-0.5 2,-0.3 -30,-0.2 -28,-0.2 -0.828 12.2 170.2-105.1 140.8 4.8 19.0 -18.9 614 37 E K E -m 585 0E 38 -30,-1.9 -28,-1.7 -2,-0.4 2,-0.4 -0.968 16.1-154.1-144.8 136.2 4.0 15.3 -19.5 615 38 E T E -m 586 0E 3 -484,-0.3 -28,-0.2 -2,-0.3 -480,-0.2 -0.936 11.8-177.3-114.3 133.0 0.7 13.9 -20.8 616 39 E V E -m 587 0E 0 -30,-2.7 -28,-1.3 -2,-0.4 -27,-0.3 -0.845 35.6-113.9-119.9 157.3 -0.5 10.4 -20.2 617 40 E P S S+ 0 0 7 0, 0.0 -28,-2.6 0, 0.0 -29,-0.9 0.958 86.0 2.5 -48.2 -59.0 -3.7 8.6 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-2,-0.3 2,-0.6 3,-0.1 5,-0.2 -0.941 13.5-145.3-124.2 141.3 -11.7 25.5 -0.9 723 146 E Q S S+ 0 0 24 -2,-0.4 2,-0.7 3,-0.1 -28,-0.2 -0.935 85.5 3.8-105.4 120.3 -10.2 24.9 -4.3 724 147 E G S S+ 0 0 0 -2,-0.6 3,-0.1 -30,-0.3 -2,-0.1 -0.838 125.7 49.1 111.0 -91.5 -12.8 25.1 -7.1 725 148 E F S S- 0 0 87 -2,-0.7 3,-0.1 1,-0.2 -3,-0.1 -0.334 108.3 -70.6 -72.5 163.9 -16.0 26.0 -5.4 726 149 E E - 0 0 137 1,-0.1 -1,-0.2 -3,-0.1 -3,-0.1 -0.140 61.9 -84.5 -60.3 151.6 -16.1 29.0 -2.9 727 150 E D - 0 0 82 -5,-0.2 -6,-0.2 1,-0.1 -1,-0.1 -0.235 25.4-144.2 -60.3 138.8 -14.4 28.8 0.5 728 151 E A - 0 0 50 -8,-1.5 -7,-0.2 -433,-0.1 -8,-0.2 0.829 37.0-146.9 -71.2 -32.7 -16.3 27.2 3.4 729 152 E G 0 0 21 -9,-2.4 -9,-0.2 -10,-0.4 -1,-0.1 -0.039 360.0 360.0 82.7 166.2 -14.9 29.6 5.9 730 153 E P 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -10,-0.1 0.727 360.0 360.0 -72.0 360.0 -14.1 28.9 9.6