==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 12-FEB-10 3LSJ . COMPND 2 MOLECULE: DEST; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR D.J.MILLER,S.W.WHITE . 409 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19701.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 306 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 16.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 229 56.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.5 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 0 0 0 0 3 2 0 1 0 2 0 1 3 0 4 0 0 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 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 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 2 A A 0 0 153 0, 0.0 4,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 150.7 -17.0 55.4 -39.1 2 3 A S > - 0 0 98 1,-0.1 3,-0.7 2,-0.0 0, 0.0 -0.460 360.0-110.1 -75.2 132.7 -16.3 52.7 -41.7 3 4 A P T 3 S+ 0 0 92 0, 0.0 5,-0.1 0, 0.0 -1,-0.1 -0.217 94.1 6.8 -60.1 142.8 -19.1 51.9 -44.2 4 5 A R T 3> S+ 0 0 170 1,-0.1 4,-2.0 3,-0.1 5,-0.1 0.849 76.6 159.3 52.7 45.9 -21.0 48.6 -44.0 5 6 A A H <> + 0 0 50 -3,-0.7 4,-2.4 1,-0.2 5,-0.2 0.861 68.8 52.4 -66.0 -41.3 -19.3 47.6 -40.7 6 7 A E H > S+ 0 0 137 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.874 110.6 49.3 -63.6 -39.1 -21.9 45.0 -39.6 7 8 A Q H > S+ 0 0 78 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.899 110.3 49.7 -67.4 -43.1 -21.6 43.3 -43.0 8 9 A K H X S+ 0 0 110 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.910 111.5 49.5 -59.3 -43.1 -17.8 43.2 -42.7 9 10 A Q H X S+ 0 0 94 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.876 106.8 55.9 -64.2 -39.3 -18.2 41.7 -39.2 10 11 A Q H X S+ 0 0 124 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.884 110.3 44.7 -58.7 -41.9 -20.6 39.1 -40.6 11 12 A T H X S+ 0 0 29 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.866 109.3 56.8 -71.5 -37.4 -18.0 38.0 -43.1 12 13 A R H X S+ 0 0 76 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.935 110.0 44.2 -56.4 -48.7 -15.3 38.0 -40.4 13 14 A H H X S+ 0 0 76 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.838 110.0 56.5 -66.8 -34.5 -17.3 35.6 -38.3 14 15 A A H X S+ 0 0 32 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.918 108.8 45.8 -62.7 -48.1 -18.1 33.5 -41.4 15 16 A L H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.910 114.9 50.1 -56.3 -44.4 -14.4 33.0 -42.1 16 17 A M H X S+ 0 0 5 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.902 112.6 42.5 -66.4 -45.7 -13.8 32.3 -38.4 17 18 A S H X S+ 0 0 56 -4,-3.0 4,-1.8 2,-0.2 -1,-0.2 0.743 110.5 59.3 -76.9 -21.7 -16.6 29.7 -38.0 18 19 A A H X S+ 0 0 8 -4,-1.8 4,-2.2 -5,-0.2 -2,-0.2 0.909 107.2 45.9 -63.6 -46.4 -15.5 28.2 -41.4 19 20 A A H X S+ 0 0 0 -4,-2.0 4,-0.7 1,-0.2 -2,-0.2 0.946 113.2 50.0 -61.9 -48.0 -12.0 27.6 -40.0 20 21 A R H >< S+ 0 0 60 -4,-2.2 3,-0.7 1,-0.2 -1,-0.2 0.860 108.9 53.1 -54.3 -39.4 -13.6 26.1 -36.8 21 22 A H H >< S+ 0 0 113 -4,-1.8 3,-1.5 1,-0.2 4,-0.2 0.927 105.7 52.4 -66.0 -44.4 -15.8 23.9 -38.9 22 23 A L H 3< S+ 0 0 40 -4,-2.2 5,-0.3 1,-0.3 -1,-0.2 0.613 110.1 50.2 -64.9 -14.4 -12.7 22.5 -40.8 23 24 A M T X< S+ 0 0 1 -4,-0.7 3,-1.5 -3,-0.7 -1,-0.3 0.289 77.3 104.1-108.7 5.8 -11.1 21.7 -37.5 24 25 A E T < S+ 0 0 112 -3,-1.5 -1,-0.1 1,-0.3 -2,-0.1 0.783 82.6 46.3 -57.0 -33.0 -14.0 19.8 -36.0 25 26 A S T 3 S- 0 0 96 -4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 -0.025 132.2 -79.1-109.0 28.4 -12.5 16.4 -36.6 26 27 A G S < S+ 0 0 14 -3,-1.5 295,-0.4 1,-0.3 211,-0.2 0.438 75.6 150.7 98.2 1.1 -9.0 17.1 -35.3 27 28 A R - 0 0 83 -5,-0.3 -1,-0.3 293,-0.2 2,-0.1 -0.449 46.3-119.7 -63.1 133.8 -7.3 19.0 -38.1 28 29 A G > - 0 0 17 -2,-0.1 3,-0.9 1,-0.1 4,-0.2 -0.395 14.0-122.3 -70.6 152.6 -4.6 21.4 -36.9 29 30 A F G > S+ 0 0 8 1,-0.2 3,-1.8 2,-0.2 -1,-0.1 0.873 109.2 64.5 -61.3 -37.8 -5.0 25.1 -37.7 30 31 A G G 3 S+ 0 0 67 1,-0.3 -1,-0.2 203,-0.2 204,-0.1 0.691 94.9 58.0 -61.2 -23.6 -1.6 25.1 -39.5 31 32 A S G < S+ 0 0 44 -3,-0.9 2,-0.4 2,-0.1 -1,-0.3 0.439 82.5 106.8 -89.3 -0.7 -2.9 22.7 -42.2 32 33 A L < - 0 0 12 -3,-1.8 2,-0.3 -4,-0.2 23,-0.1 -0.636 59.9-147.8 -81.4 131.7 -5.7 25.1 -43.3 33 34 A S >> - 0 0 54 -2,-0.4 4,-1.7 1,-0.1 3,-0.7 -0.779 20.9-122.7 -96.7 146.2 -5.2 26.9 -46.6 34 35 A L H 3> S+ 0 0 33 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.867 112.0 57.4 -48.5 -42.1 -6.6 30.3 -47.2 35 36 A R H 3> S+ 0 0 179 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.846 103.6 51.0 -63.7 -38.1 -8.6 29.0 -50.2 36 37 A E H <> S+ 0 0 50 -3,-0.7 4,-2.6 2,-0.2 5,-0.2 0.967 112.8 45.3 -58.9 -57.7 -10.4 26.3 -48.1 37 38 A V H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.898 114.0 48.7 -55.9 -47.5 -11.6 28.8 -45.5 38 39 A T H X>S+ 0 0 1 -4,-2.4 5,-3.1 2,-0.2 4,-0.6 0.915 114.3 43.2 -63.2 -46.7 -12.6 31.5 -48.0 39 40 A R H <5S+ 0 0 193 -4,-2.0 3,-0.4 3,-0.2 -1,-0.2 0.886 114.7 50.1 -70.2 -37.9 -14.7 29.2 -50.3 40 41 A A H <5S+ 0 0 44 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.843 111.0 50.5 -64.6 -33.8 -16.3 27.5 -47.2 41 42 A A H <5S- 0 0 23 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.626 120.7-118.5 -74.5 -15.3 -17.0 31.0 -46.0 42 43 A G T <5S+ 0 0 64 -4,-0.6 2,-0.3 -3,-0.4 -3,-0.2 0.786 72.7 112.6 81.2 30.9 -18.5 31.6 -49.4 43 44 A I S - 0 0 102 -2,-0.3 3,-2.3 1,-0.1 4,-0.2 -0.517 39.0-118.1 -70.1 136.6 -13.5 35.1 -53.1 45 46 A P G > S+ 0 0 53 0, 0.0 3,-1.4 0, 0.0 4,-0.3 0.799 114.9 58.5 -44.1 -39.6 -9.9 34.4 -51.9 46 47 A A G > S+ 0 0 57 1,-0.3 3,-0.9 2,-0.2 4,-0.2 0.753 92.4 69.4 -63.7 -26.4 -8.9 38.1 -52.3 47 48 A G G < S+ 0 0 12 -3,-2.3 4,-0.3 1,-0.2 3,-0.3 0.440 81.9 76.0 -74.3 -0.4 -11.7 39.0 -49.8 48 49 A F G X> S+ 0 0 0 -3,-1.4 4,-2.7 -4,-0.2 3,-1.5 0.850 84.1 61.8 -74.1 -37.9 -9.7 37.4 -47.0 49 50 A Y T <4 S+ 0 0 144 -3,-0.9 -1,-0.2 -4,-0.3 -2,-0.2 0.561 88.1 72.4 -73.5 -8.6 -7.2 40.3 -46.8 50 51 A R T 34 S+ 0 0 173 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.2 0.836 116.9 19.6 -65.1 -35.0 -10.1 42.7 -45.9 51 52 A H T <4 S+ 0 0 31 -3,-1.5 2,-0.4 1,-0.3 -2,-0.2 0.811 133.7 24.2-105.4 -43.3 -10.2 41.0 -42.4 52 53 A F < - 0 0 6 -4,-2.7 -1,-0.3 1,-0.1 3,-0.1 -0.993 51.3-152.2-135.1 134.1 -6.8 39.2 -42.0 53 54 A S S S- 0 0 82 -2,-0.4 2,-0.3 1,-0.1 -4,-0.1 0.734 87.4 -7.0 -72.3 -24.0 -3.4 39.9 -43.6 54 55 A D S >> S- 0 0 68 -6,-0.1 4,-1.2 1,-0.1 3,-0.7 -0.965 79.0 -91.1-159.6 174.1 -2.6 36.1 -43.1 55 56 A M H 3> S+ 0 0 34 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.855 119.5 63.9 -61.1 -38.8 -3.8 32.9 -41.6 56 57 A D H 3> S+ 0 0 51 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.893 101.2 51.7 -46.7 -45.3 -2.0 33.6 -38.4 57 58 A Q H <> S+ 0 0 77 -3,-0.7 4,-2.0 1,-0.2 -1,-0.2 0.860 106.8 52.2 -66.5 -37.9 -4.2 36.6 -37.9 58 59 A L H X S+ 0 0 0 -4,-1.2 4,-1.7 2,-0.2 -1,-0.2 0.899 111.1 49.0 -59.5 -42.4 -7.3 34.5 -38.4 59 60 A G H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.889 108.0 52.6 -65.3 -41.3 -5.9 32.1 -35.7 60 61 A L H X S+ 0 0 43 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.897 108.6 51.1 -62.7 -38.2 -5.2 35.0 -33.3 61 62 A A H X S+ 0 0 11 -4,-2.0 4,-0.8 1,-0.2 -1,-0.2 0.855 105.4 56.3 -66.3 -36.0 -8.9 36.1 -33.8 62 63 A L H < S+ 0 0 4 -4,-1.7 3,-0.4 1,-0.2 4,-0.2 0.883 110.0 45.4 -60.7 -39.1 -10.0 32.5 -33.0 63 64 A V H >X S+ 0 0 4 -4,-1.7 3,-1.7 1,-0.2 4,-0.6 0.886 105.3 60.8 -69.5 -40.7 -8.1 32.7 -29.6 64 65 A A H 3X S+ 0 0 60 -4,-2.0 4,-0.7 1,-0.3 -1,-0.2 0.666 88.8 73.5 -65.3 -18.2 -9.4 36.2 -28.8 65 66 A E H 3< S+ 0 0 53 -4,-0.8 -1,-0.3 -3,-0.4 5,-0.2 0.703 94.4 51.6 -67.1 -23.0 -13.0 34.9 -28.8 66 67 A V H X>>S+ 0 0 1 -3,-1.7 3,-1.4 -4,-0.2 5,-1.3 0.839 97.3 67.2 -81.7 -34.2 -12.5 33.1 -25.5 67 68 A D H 3<5S+ 0 0 48 -4,-0.6 -2,-0.2 1,-0.3 -1,-0.1 0.807 104.2 40.9 -58.6 -37.9 -11.2 36.2 -23.6 68 69 A E T 3<5S+ 0 0 87 -4,-0.7 -1,-0.3 3,-0.1 -2,-0.1 0.321 126.8 30.3 -97.6 6.9 -14.4 38.2 -23.6 69 70 A T T X>5S+ 0 0 81 -3,-1.4 4,-1.1 -4,-0.1 3,-0.9 0.566 121.6 29.6-120.9 -80.4 -16.7 35.3 -22.9 70 71 A F H 3X5S+ 0 0 23 -4,-0.6 4,-1.6 1,-0.2 3,-0.5 0.852 112.8 61.9 -56.3 -44.8 -15.5 32.3 -20.8 71 72 A R H 3> S+ 0 0 61 -3,-0.9 4,-2.6 2,-0.2 -1,-0.3 0.792 105.6 58.0 -78.3 -30.3 -15.7 36.6 -17.2 73 74 A T H X S+ 0 0 65 -4,-1.1 4,-1.6 -3,-0.5 -2,-0.2 0.864 106.6 49.4 -65.8 -37.1 -18.0 33.7 -16.3 74 75 A L H X S+ 0 0 21 -4,-1.6 4,-0.5 2,-0.2 -1,-0.2 0.880 115.5 42.6 -69.1 -41.6 -15.3 32.1 -14.2 75 76 A R H >< S+ 0 0 71 -4,-1.3 3,-0.8 -5,-0.2 4,-0.3 0.870 111.4 57.8 -67.4 -38.5 -14.6 35.3 -12.4 76 77 A A H >< S+ 0 0 52 -4,-2.6 3,-1.0 1,-0.2 4,-0.4 0.848 101.4 54.5 -61.4 -36.4 -18.4 35.9 -12.1 77 78 A V H 3X S+ 0 0 14 -4,-1.6 4,-0.8 1,-0.2 3,-0.4 0.710 94.0 69.6 -75.3 -18.6 -19.0 32.7 -10.2 78 79 A R T << S+ 0 0 24 -3,-0.8 -1,-0.2 -4,-0.5 -2,-0.2 0.541 91.0 60.4 -81.5 -6.5 -16.5 33.4 -7.4 79 80 A R T <4 S+ 0 0 140 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.1 0.804 108.8 38.1 -84.0 -33.2 -18.5 36.3 -5.9 80 81 A N T 4 0 0 117 -3,-0.4 -2,-0.1 -4,-0.4 -3,-0.1 0.986 360.0 360.0 -86.3 -68.7 -21.7 34.3 -5.0 81 82 A E < 0 0 131 -4,-0.8 5,-0.1 4,-0.1 3,-0.1 -0.023 360.0 360.0 -52.2 360.0 -21.3 30.7 -3.7 82 ! 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 83 85 A L 0 0 223 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 80.9 -18.3 25.6 1.6 84 86 A G > + 0 0 33 -3,-0.1 4,-0.9 109,-0.0 3,-0.2 0.210 360.0 100.2 93.0 -11.8 -17.4 23.2 -1.2 85 87 A G H > + 0 0 24 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.832 69.1 59.6 -74.5 -36.9 -19.9 24.8 -3.5 86 88 A L H > S+ 0 0 36 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.776 100.6 58.1 -67.9 -27.2 -17.6 27.0 -5.6 87 89 A I H > S+ 0 0 27 2,-0.2 4,-2.7 -3,-0.2 5,-0.2 0.981 107.6 44.7 -64.1 -56.3 -15.6 24.0 -6.9 88 90 A D H X S+ 0 0 72 -4,-0.9 4,-2.6 1,-0.2 -2,-0.2 0.889 115.3 48.0 -57.6 -44.2 -18.6 22.2 -8.4 89 91 A A H X S+ 0 0 18 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.921 112.5 48.4 -63.4 -45.2 -19.9 25.5 -10.0 90 92 A S H X S+ 0 0 26 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.889 113.4 47.5 -62.8 -40.3 -16.5 26.3 -11.5 91 93 A V H X S+ 0 0 5 -4,-2.7 4,-3.1 2,-0.2 -2,-0.2 0.929 111.3 51.0 -64.7 -45.5 -16.1 22.8 -12.8 92 94 A R H X S+ 0 0 124 -4,-2.6 4,-2.6 -5,-0.2 5,-0.3 0.847 105.3 56.8 -62.6 -35.0 -19.6 22.9 -14.3 93 95 A I H X S+ 0 0 41 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.949 113.0 41.2 -58.4 -49.0 -18.8 26.3 -16.0 94 96 A F H X S+ 0 0 8 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.954 114.6 50.3 -63.4 -52.1 -15.8 24.6 -17.7 95 97 A L H X S+ 0 0 23 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.883 114.2 44.3 -58.8 -43.2 -17.7 21.3 -18.6 96 98 A D H X S+ 0 0 90 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.886 111.6 53.2 -65.3 -42.8 -20.6 23.2 -20.1 97 99 A A H X S+ 0 0 15 -4,-2.1 4,-1.6 -5,-0.3 -2,-0.2 0.906 110.8 48.0 -59.9 -41.4 -18.3 25.6 -22.0 98 100 A V H < S+ 0 0 8 -4,-2.8 -2,-0.2 2,-0.2 -1,-0.2 0.893 111.7 50.1 -64.1 -42.3 -16.5 22.5 -23.4 99 101 A G H >< S+ 0 0 61 -4,-2.0 3,-0.6 -5,-0.2 -2,-0.2 0.958 117.7 37.6 -60.8 -53.0 -19.9 20.9 -24.4 100 102 A A H 3< S+ 0 0 86 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.710 130.9 30.8 -70.3 -25.0 -21.3 23.9 -26.2 101 103 A N T 3X S+ 0 0 65 -4,-1.6 4,-1.9 -5,-0.3 -1,-0.2 -0.367 71.5 147.0-134.3 53.0 -17.9 24.9 -27.7 102 104 A R H <> S+ 0 0 107 -3,-0.6 4,-2.3 1,-0.2 5,-0.2 0.943 71.6 49.5 -55.9 -56.7 -16.0 21.7 -28.2 103 105 A S H > S+ 0 0 18 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.802 110.1 53.4 -58.4 -34.4 -14.0 22.6 -31.4 104 106 A Q H > S+ 0 0 23 2,-0.2 4,-2.4 -3,-0.2 -1,-0.2 0.935 110.2 44.3 -66.7 -50.5 -12.9 25.9 -29.8 105 107 A F H X S+ 0 0 5 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.847 113.0 51.7 -66.5 -34.2 -11.4 24.3 -26.6 106 108 A L H X S+ 0 0 7 -4,-2.3 4,-3.5 2,-0.2 -1,-0.2 0.885 109.7 50.7 -67.2 -40.0 -9.7 21.5 -28.6 107 109 A F H X S+ 0 0 4 -4,-1.8 4,-2.6 -5,-0.2 -2,-0.2 0.908 110.0 50.3 -57.9 -47.9 -8.2 24.2 -30.8 108 110 A L H < S+ 0 0 9 -4,-2.4 4,-0.4 2,-0.2 -2,-0.2 0.919 117.8 39.3 -58.2 -45.8 -7.0 26.0 -27.6 109 111 A A H >< S+ 0 0 0 -4,-2.3 3,-0.8 2,-0.1 4,-0.3 0.946 118.5 46.3 -69.6 -48.4 -5.4 22.8 -26.3 110 112 A R H >< S+ 0 0 8 -4,-3.5 3,-2.0 1,-0.2 -3,-0.2 0.893 106.3 55.9 -64.7 -45.4 -4.1 21.5 -29.6 111 113 A E G >< S+ 0 0 11 -4,-2.6 3,-1.1 1,-0.3 -1,-0.2 0.533 84.5 81.6 -76.4 -6.5 -2.5 24.7 -30.9 112 114 A Q G < S+ 0 0 12 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.791 106.1 34.6 -52.7 -29.9 -0.4 25.0 -27.8 113 115 A Y G < S+ 0 0 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134.5 2.4 19.6 -38.1 235 29 B G > - 0 0 16 -2,-0.1 3,-1.3 1,-0.1 4,-0.4 -0.425 15.9-119.1 -72.4 152.9 -0.3 17.2 -36.8 236 30 B F G > S+ 0 0 10 1,-0.2 3,-1.6 2,-0.2 -1,-0.1 0.871 111.7 62.0 -56.9 -39.4 -0.0 13.5 -37.6 237 31 B G G 3 S+ 0 0 75 1,-0.3 -1,-0.2 -211,-0.2 -210,-0.1 0.616 96.8 58.6 -66.4 -16.2 -3.3 13.6 -39.5 238 32 B S G < S+ 0 0 38 -3,-1.3 -1,-0.3 2,-0.1 2,-0.3 0.556 83.9 101.3 -89.7 -11.3 -1.8 16.0 -42.1 239 33 B L < - 0 0 12 -3,-1.6 2,-0.3 -4,-0.4 23,-0.1 -0.539 62.6-145.9 -76.0 136.9 1.0 13.7 -43.1 240 34 B S > - 0 0 55 -2,-0.3 4,-1.4 1,-0.1 3,-0.4 -0.775 21.4-120.8 -98.2 149.3 0.6 11.8 -46.3 241 35 B L H > S+ 0 0 32 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.866 110.8 59.7 -43.6 -45.0 2.0 8.3 -46.9 242 36 B R H > S+ 0 0 169 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.864 100.9 50.0 -62.1 -43.8 4.1 9.7 -49.8 243 37 B E H > S+ 0 0 50 -3,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.912 114.5 47.0 -59.0 -44.3 6.1 12.2 -47.8 244 38 B V H X S+ 0 0 0 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.916 113.2 45.8 -68.5 -45.5 7.0 9.6 -45.3 245 39 B T H X>S+ 0 0 2 -4,-2.6 5,-2.4 2,-0.2 4,-0.5 0.863 112.8 50.7 -67.8 -36.4 8.0 6.9 -47.8 246 40 B R H ><5S+ 0 0 184 -4,-2.4 3,-1.2 2,-0.2 -2,-0.2 0.938 110.7 48.0 -64.7 -47.7 10.1 9.3 -49.8 247 41 B A H 3<5S+ 0 0 49 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.812 110.6 54.2 -62.2 -30.1 12.0 10.5 -46.7 248 42 B A H 3<5S- 0 0 21 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.600 113.8-122.5 -76.1 -15.5 12.4 6.8 -45.8 249 43 B G T <<5S+ 0 0 66 -3,-1.2 2,-0.3 -4,-0.5 -3,-0.2 0.810 71.3 113.9 75.2 30.8 14.0 6.2 -49.3 250 44 B I S - 0 0 93 -2,-0.3 3,-0.9 1,-0.1 4,-0.3 -0.201 41.3-108.0 -58.9 155.6 8.9 3.3 -53.1 252 46 B P G > S+ 0 0 45 0, 0.0 3,-1.5 0, 0.0 4,-0.3 0.890 119.9 55.3 -55.6 -42.0 5.2 4.2 -52.2 253 47 B A G > S+ 0 0 66 1,-0.3 3,-1.2 2,-0.2 4,-0.3 0.753 92.8 73.0 -61.9 -26.8 4.1 0.6 -52.4 254 48 B G G X S+ 0 0 0 -3,-0.9 3,-0.6 1,-0.2 4,-0.3 0.579 78.4 75.7 -67.7 -11.5 6.8 -0.4 -49.8 255 49 B F G X> S+ 0 0 0 -3,-1.5 4,-2.4 -4,-0.3 3,-1.5 0.846 86.4 62.5 -63.4 -36.3 4.9 1.3 -47.0 256 50 B Y G 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-4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.855 108.5 54.8 -63.8 -35.4 1.0 6.5 -35.5 267 61 B L H X S+ 0 0 40 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.896 105.7 53.7 -64.6 -37.2 0.2 3.6 -33.2 268 62 B A H X S+ 0 0 9 -4,-1.8 4,-1.0 1,-0.2 -1,-0.2 0.817 104.0 55.2 -66.0 -32.4 3.8 2.5 -33.6 269 63 B L H X S+ 0 0 3 -4,-1.3 4,-0.6 2,-0.2 -1,-0.2 0.880 109.2 47.1 -67.2 -37.4 5.1 6.0 -32.5 270 64 B V H >X S+ 0 0 4 -4,-1.5 3,-1.2 1,-0.2 4,-0.6 0.944 106.6 57.5 -67.3 -46.0 3.1 5.8 -29.3 271 65 B A H 3X S+ 0 0 56 -4,-2.1 4,-0.6 1,-0.3 3,-0.5 0.739 93.3 69.9 -58.1 -28.6 4.3 2.2 -28.5 272 66 B E H >< S+ 0 0 54 -4,-1.0 3,-0.9 1,-0.2 4,-0.5 0.870 94.0 54.2 -56.9 -41.8 7.9 3.4 -28.6 273 67 B V H X<>S+ 0 0 1 -3,-1.2 5,-1.9 -4,-0.6 3,-0.9 0.809 95.0 70.1 -65.3 -30.3 7.5 5.3 -25.3 274 68 B D H 3<5S+ 0 0 28 -4,-0.6 -1,-0.2 -3,-0.5 -2,-0.2 0.778 106.0 36.6 -59.5 -32.7 6.2 2.3 -23.5 275 69 B E T <<5S+ 0 0 156 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.2 0.425 127.5 32.3-105.4 1.9 9.6 0.5 -23.5 276 70 B T T <>5S+ 0 0 84 -3,-0.9 4,-1.1 -4,-0.5 3,-0.5 0.659 125.5 22.5-115.4 -82.0 11.9 3.5 -23.0 277 71 B F H >>5S+ 0 0 21 1,-0.2 4,-1.4 -4,-0.2 3,-0.6 0.896 117.3 61.2 -56.1 -47.5 10.6 6.4 -21.0 278 72 B R H 3> S+ 0 0 58 -3,-0.5 4,-2.7 1,-0.2 -1,-0.3 0.802 105.3 58.6 -72.0 -32.2 10.6 2.1 -17.4 280 74 B T H < S+ 0 0 84 -4,-1.1 3,-1.0 -5,-0.2 4,-0.3 0.910 111.3 53.1 -65.2 -44.5 9.6 3.2 -12.6 283 77 B A H >X S+ 0 0 57 -4,-2.7 3,-1.7 1,-0.2 4,-0.6 0.905 100.9 58.1 -58.2 -46.4 13.4 2.6 -12.2 284 78 B V H 3X S+ 0 0 16 -4,-2.0 4,-1.1 1,-0.3 -1,-0.2 0.632 92.5 70.5 -66.4 -13.4 14.2 5.9 -10.3 285 79 B R H <4 S+ 0 0 19 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.656 90.4 60.3 -80.1 -16.5 11.7 5.1 -7.5 286 80 B R H <4 S+ 0 0 125 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.2 0.896 106.7 43.6 -71.7 -43.6 13.8 2.3 -6.1 287 81 B N H < 0 0 130 -4,-0.6 -2,-0.2 1,-0.1 -3,-0.1 0.969 360.0 360.0 -72.5 -60.9 16.9 4.4 -5.3 288 82 B E < 0 0 144 -4,-1.1 -3,-0.1 3,-0.1 4,-0.1 0.947 360.0 360.0 -71.9 360.0 15.7 7.7 -3.7 289 ! 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 0.0 290 86 B G 0 0 88 0, 0.0 4,-0.4 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0-106.5 13.1 15.0 -0.6 291 87 B G > + 0 0 22 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.220 360.0 88.0-114.0 10.7 14.7 14.2 -4.0 292 88 B L H > S+ 0 0 42 2,-0.2 4,-1.8 3,-0.1 -1,-0.2 0.811 94.7 54.3 -69.2 -31.2 12.5 11.6 -5.7 293 89 B I H > S+ 0 0 25 -3,-0.2 4,-2.9 2,-0.2 5,-0.2 0.974 107.1 46.6 -61.4 -59.3 10.7 14.6 -7.0 294 90 B D H > S+ 0 0 78 -4,-0.4 4,-3.0 1,-0.2 5,-0.2 0.898 114.7 47.4 -53.5 -48.0 13.7 16.4 -8.5 295 91 B A H X S+ 0 0 25 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.880 113.2 47.9 -63.2 -41.5 15.0 13.1 -10.2 296 92 B S H X S+ 0 0 25 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.899 114.0 46.9 -66.9 -41.5 11.5 12.3 -11.6 297 93 B V H X S+ 0 0 4 -4,-2.9 4,-3.3 2,-0.2 -2,-0.2 0.953 112.7 50.4 -61.7 -49.0 11.1 15.9 -12.9 298 94 B R H X S+ 0 0 127 -4,-3.0 4,-3.1 1,-0.2 5,-0.2 0.852 106.7 54.1 -56.5 -39.9 14.6 15.7 -14.4 299 95 B I H X S+ 0 0 39 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.926 113.4 43.1 -64.6 -41.5 13.9 12.4 -16.1 300 96 B F H X S+ 0 0 8 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.972 114.8 48.5 -63.4 -57.0 10.8 14.0 -17.8 301 97 B L H X S+ 0 0 19 -4,-3.3 4,-2.1 1,-0.2 -2,-0.2 0.919 113.6 47.9 -50.0 -51.1 12.7 17.3 -18.6 302 98 B D H X S+ 0 0 87 -4,-3.1 4,-2.2 2,-0.2 -1,-0.2 0.863 110.9 50.5 -55.1 -43.4 15.6 15.3 -20.1 303 99 B A H X S+ 0 0 15 -4,-1.8 4,-1.1 -5,-0.2 -1,-0.2 0.900 110.4 50.2 -67.6 -39.6 13.3 13.0 -22.2 304 100 B V H < S+ 0 0 7 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.884 111.4 48.1 -61.2 -44.2 11.5 16.1 -23.6 305 101 B G H >< S+ 0 0 62 -4,-2.1 3,-0.6 -5,-0.2 -2,-0.2 0.940 117.2 40.4 -64.0 -48.5 14.8 17.8 -24.6 306 102 B A H 3< S+ 0 0 80 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.581 130.8 27.5 -76.9 -15.0 16.3 14.7 -26.3 307 103 B N T 3X S+ 0 0 75 -4,-1.1 4,-1.6 -5,-0.2 -1,-0.2 -0.345 72.7 151.3-142.9 53.7 13.0 13.7 -27.9 308 104 B R H <> + 0 0 105 -3,-0.6 4,-2.4 1,-0.2 5,-0.2 0.909 69.3 51.2 -58.5 -49.7 11.0 16.9 -28.4 309 105 B S H > S+ 0 0 13 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.862 108.7 52.4 -59.0 -42.5 8.9 16.0 -31.4 310 106 B Q H > S+ 0 0 19 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.876 110.7 46.1 -62.8 -43.9 7.7 12.7 -29.9 311 107 B F H X S+ 0 0 5 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.908 113.5 49.0 -66.9 -41.7 6.5 14.3 -26.7 312 108 B L H X S+ 0 0 6 -4,-2.4 4,-3.1 2,-0.2 5,-0.2 0.887 110.8 52.2 -61.0 -42.9 4.8 17.1 -28.6 313 109 B F H X S+ 0 0 2 -4,-2.6 4,-2.7 -5,-0.2 -2,-0.2 0.940 109.6 48.8 -53.4 -51.4 3.2 14.3 -30.8 314 110 B L H < S+ 0 0 7 -4,-2.4 4,-0.4 1,-0.2 -2,-0.2 0.923 117.5 40.8 -60.0 -44.4 1.9 12.5 -27.6 315 111 B A H >< S+ 0 0 0 -4,-2.5 3,-0.7 1,-0.2 4,-0.2 0.946 119.3 43.9 -70.2 -47.4 0.4 15.7 -26.2 316 112 B R H >< S+ 0 0 7 -4,-3.1 3,-2.2 1,-0.2 -2,-0.2 0.884 105.7 58.5 -66.8 -44.2 -1.0 17.1 -29.4 317 113 B E G >< S+ 0 0 13 -4,-2.7 3,-1.1 1,-0.3 -1,-0.2 0.528 84.5 80.2 -74.8 -6.6 -2.5 13.9 -30.9 318 114 B Q G < S+ 0 0 11 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.2 0.762 104.4 37.3 -55.7 -27.1 -4.7 13.5 -27.8 319 115 B Y G < S+ 0 0 12 -3,-2.2 -1,-0.2 -4,-0.2 -2,-0.2 0.099 100.2 112.3-113.8 17.6 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360.0 360.0 -90.3 153.5 -12.4 10.0 -1.4 412 208 B P 0 0 158 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.150 360.0 360.0 -57.6 360.0 -15.9 10.2 0.1