==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 05-APR-11 3RET . COMPND 2 MOLECULE: SALICYLATE BIOSYNTHESIS PROTEIN PCHB; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR J.OLUCHA,A.N.OUELLETTE,Q.LUO,A.L.LAMB . 188 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9792.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 150 79.8 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 130 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 2 0 0 0 2 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 1 A M 0 0 137 0, 0.0 2,-0.1 0, 0.0 12,-0.1 0.000 360.0 360.0 360.0 111.0 -7.4 -25.9 2.9 2 2 A K - 0 0 83 10,-0.2 5,-0.1 1,-0.1 14,-0.0 -0.307 360.0-109.1 -74.4 154.6 -4.9 -25.7 -0.0 3 3 A T >> - 0 0 50 1,-0.1 4,-0.9 -2,-0.1 3,-0.7 -0.388 40.0-104.1 -73.6 157.7 -1.4 -24.5 0.1 4 4 A P G >4 S+ 0 0 20 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.892 121.5 51.9 -52.1 -43.0 -0.9 -21.1 -1.7 5 5 A E G 34 S+ 0 0 137 1,-0.3 -3,-0.0 3,-0.0 127,-0.0 0.760 110.8 49.5 -70.0 -22.6 0.8 -22.7 -4.8 6 6 A D G <4 S+ 0 0 98 -3,-0.7 -1,-0.3 6,-0.0 2,-0.2 0.474 80.2 118.0 -93.6 -4.5 -2.2 -25.1 -5.1 7 7 A C << - 0 0 3 -3,-1.0 3,-0.1 -4,-0.9 -4,-0.0 -0.505 49.2-162.9 -56.6 124.6 -4.9 -22.4 -4.8 8 8 A T - 0 0 104 -2,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.599 61.6 -30.0 -91.0 -13.9 -6.8 -22.4 -8.1 9 9 A G S > S- 0 0 16 1,-0.0 4,-1.7 130,-0.0 3,-0.4 -0.952 86.7 -58.8-179.4-171.2 -8.4 -19.0 -7.8 10 10 A L H > S+ 0 0 52 -2,-0.3 4,-1.9 1,-0.2 5,-0.2 0.677 121.6 64.7 -68.9 -22.7 -9.7 -16.5 -5.3 11 11 A A H > S+ 0 0 69 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.924 108.6 41.3 -60.0 -46.7 -12.2 -18.9 -3.8 12 12 A D H > S+ 0 0 22 -3,-0.4 4,-1.8 1,-0.2 -2,-0.2 0.902 114.3 51.9 -67.1 -38.5 -9.4 -21.1 -2.6 13 13 A I H X S+ 0 0 3 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.892 112.8 46.0 -64.9 -42.9 -7.2 -18.1 -1.5 14 14 A R H X S+ 0 0 75 -4,-1.9 4,-3.0 2,-0.2 5,-0.2 0.882 107.1 55.0 -76.0 -36.3 -10.1 -16.6 0.5 15 15 A E H X S+ 0 0 120 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.938 112.8 44.6 -55.8 -46.6 -11.1 -19.8 2.2 16 16 A A H X S+ 0 0 1 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.905 113.9 49.1 -65.6 -42.7 -7.4 -20.1 3.4 17 17 A I H X S+ 0 0 13 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.917 111.6 50.0 -64.3 -41.8 -7.3 -16.4 4.4 18 18 A D H X S+ 0 0 35 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.899 111.5 48.3 -58.4 -40.6 -10.6 -16.7 6.3 19 19 A R H X S+ 0 0 92 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.908 113.6 46.8 -66.4 -47.4 -9.3 -19.8 8.1 20 20 A I H X S+ 0 0 1 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.911 113.3 48.5 -63.9 -46.0 -6.0 -18.1 9.1 21 21 A D H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.922 112.0 48.8 -62.6 -39.7 -7.8 -14.9 10.2 22 22 A L H X S+ 0 0 30 -4,-2.3 4,-2.8 -5,-0.2 5,-0.2 0.911 108.6 54.0 -64.5 -36.7 -10.2 -17.0 12.3 23 23 A D H X S+ 0 0 54 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.883 108.1 50.7 -62.3 -38.2 -7.2 -18.9 13.8 24 24 A I H X S+ 0 0 6 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.919 111.4 47.2 -67.6 -40.0 -5.7 -15.5 14.8 25 25 A V H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.933 112.5 48.7 -66.3 -42.6 -9.0 -14.4 16.5 26 26 A Q H X S+ 0 0 67 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.896 111.5 50.2 -64.4 -41.0 -9.3 -17.7 18.3 27 27 A A H X S+ 0 0 3 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.844 109.7 50.3 -64.0 -39.9 -5.7 -17.4 19.4 28 28 A L H X S+ 0 0 2 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.836 109.8 51.9 -64.8 -37.5 -6.2 -13.8 20.7 29 29 A G H X S+ 0 0 7 -4,-2.1 4,-1.3 -5,-0.2 -2,-0.2 0.917 111.5 45.7 -66.6 -37.7 -9.3 -15.1 22.6 30 30 A R H X S+ 0 0 100 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.890 108.4 58.8 -69.8 -33.0 -7.1 -17.9 24.2 31 31 A R H X S+ 0 0 5 -4,-2.2 4,-2.6 1,-0.3 -1,-0.2 0.875 101.8 53.1 -64.1 -39.6 -4.5 -15.2 24.9 32 32 A M H X S+ 0 0 8 -4,-1.6 4,-2.5 1,-0.2 -1,-0.3 0.883 102.6 58.0 -60.6 -41.8 -7.0 -13.3 26.9 33 33 A D H X S+ 0 0 90 -4,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.867 110.1 45.2 -51.5 -40.9 -7.8 -16.4 29.0 34 34 A Y H X S+ 0 0 15 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.912 110.9 51.7 -74.6 -44.4 -4.0 -16.5 29.9 35 35 A V H X S+ 0 0 9 -4,-2.6 4,-0.6 2,-0.2 -2,-0.2 0.894 111.5 47.1 -57.6 -41.1 -3.9 -12.8 30.7 36 36 A K H >< S+ 0 0 78 -4,-2.5 3,-1.1 1,-0.2 4,-0.4 0.907 108.5 55.3 -68.4 -40.7 -6.9 -13.1 33.0 37 37 A A H >< S+ 0 0 10 -4,-2.0 3,-1.0 1,-0.2 4,-0.3 0.842 100.0 64.5 -54.7 -30.0 -5.3 -16.2 34.7 38 38 A A H >< S+ 0 0 4 -4,-1.7 3,-2.3 1,-0.2 -1,-0.2 0.782 81.7 77.5 -65.7 -29.0 -2.2 -14.0 35.3 39 39 A S G X< S+ 0 0 16 -3,-1.1 3,-1.2 -4,-0.6 -1,-0.2 0.809 87.9 56.7 -60.6 -30.6 -4.1 -11.7 37.6 40 40 A R G < S+ 0 0 128 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.703 105.6 51.7 -73.6 -13.4 -4.0 -14.2 40.5 41 41 A F G < S+ 0 0 62 -3,-2.3 2,-0.6 -4,-0.3 -1,-0.2 0.018 84.8 109.7-108.2 19.6 -0.1 -14.2 40.4 42 42 A E < - 0 0 24 -3,-1.2 6,-0.1 1,-0.1 3,-0.1 -0.912 61.3-151.3-100.5 117.5 0.2 -10.4 40.5 43 43 A A S S- 0 0 103 -2,-0.6 2,-0.2 1,-0.1 -1,-0.1 0.815 75.7 -24.2 -49.4 -35.5 1.6 -9.1 43.7 44 44 A S S > S- 0 0 51 -3,-0.1 3,-1.0 1,-0.0 4,-0.4 -0.943 74.0 -85.1-169.4 170.5 -0.4 -5.9 43.3 45 45 A E G > S+ 0 0 55 1,-0.3 3,-1.5 -2,-0.2 49,-0.1 0.871 124.9 59.0 -63.0 -35.2 -2.1 -3.6 40.6 46 46 A A G 3 S+ 0 0 89 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.716 97.1 63.3 -68.0 -19.0 1.2 -1.9 40.0 47 47 A A G X S+ 0 0 28 -3,-1.0 3,-1.2 1,-0.2 -1,-0.3 0.675 84.2 82.8 -71.7 -20.9 2.6 -5.3 39.1 48 48 A I T < S+ 0 0 5 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.1 0.927 83.4 49.7 -58.9 -55.5 0.2 -5.6 36.1 49 49 A P T 3 S- 0 0 53 0, 0.0 5,-0.3 0, 0.0 -1,-0.2 0.525 85.8-162.1 -67.3 -5.8 2.0 -3.7 33.2 50 50 A A <> - 0 0 18 -3,-1.2 4,-2.5 -4,-0.2 3,-0.3 0.769 1.7-162.0 25.7 82.5 5.2 -5.7 34.1 51 51 A P H > S+ 0 0 100 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.795 80.1 49.3 -74.6 -26.8 7.5 -3.3 32.3 52 52 A E H > S+ 0 0 169 2,-0.2 4,-1.5 1,-0.2 5,-0.2 0.844 111.5 51.7 -75.5 -34.5 10.6 -5.6 31.9 53 53 A R H > S+ 0 0 48 -3,-0.3 4,-2.0 2,-0.2 3,-0.2 0.970 114.7 41.7 -66.3 -44.9 8.4 -8.4 30.5 54 54 A V H X S+ 0 0 29 -4,-2.5 4,-1.7 -5,-0.3 -2,-0.2 0.910 110.1 58.1 -68.4 -35.9 6.8 -6.0 27.9 55 55 A A H < S+ 0 0 68 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.845 112.9 39.2 -61.7 -39.3 10.1 -4.3 27.1 56 56 A A H X S+ 0 0 58 -4,-1.5 4,-1.2 -3,-0.2 -1,-0.2 0.816 108.6 64.4 -80.2 -31.1 11.6 -7.6 26.1 57 57 A M H X S+ 0 0 10 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.842 95.7 54.4 -63.4 -42.9 8.4 -9.0 24.4 58 58 A L H X S+ 0 0 33 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.943 108.2 46.6 -65.4 -46.3 8.2 -6.5 21.5 59 59 A P H > S+ 0 0 41 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.855 110.9 55.2 -65.9 -28.1 11.7 -7.0 20.2 60 60 A E H X S+ 0 0 79 -4,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.923 109.2 46.0 -67.5 -46.1 11.2 -10.7 20.4 61 61 A R H X S+ 0 0 1 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.854 109.4 55.0 -61.1 -37.3 8.0 -10.4 18.2 62 62 A A H X S+ 0 0 6 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.948 108.8 49.9 -59.7 -47.4 10.0 -8.1 15.8 63 63 A R H X S+ 0 0 111 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.934 108.8 50.9 -57.9 -44.5 12.5 -11.0 15.5 64 64 A W H X S+ 0 0 32 -4,-2.3 4,-0.9 1,-0.2 -1,-0.2 0.858 106.9 54.4 -60.6 -36.3 9.8 -13.5 14.8 65 65 A A H ><>S+ 0 0 0 -4,-2.0 5,-2.4 2,-0.2 3,-1.0 0.958 107.6 49.5 -59.3 -46.7 8.4 -11.3 12.1 66 66 A E H ><5S+ 0 0 122 -4,-2.1 3,-0.7 1,-0.3 -2,-0.2 0.805 109.8 52.1 -60.3 -34.7 11.8 -11.2 10.4 67 67 A E H 3<5S+ 0 0 137 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.686 111.4 48.8 -78.1 -12.3 12.0 -14.9 10.6 68 68 A N T <<5S- 0 0 50 -3,-1.0 -1,-0.2 -4,-0.9 -2,-0.2 0.152 118.5-102.5-112.4 19.7 8.6 -15.1 9.0 69 69 A G T < 5S+ 0 0 63 -3,-0.7 2,-0.3 1,-0.2 -3,-0.2 0.759 80.7 125.8 71.9 27.4 9.1 -12.8 6.0 70 70 A L S - 0 0 68 -2,-0.3 4,-1.9 1,-0.1 3,-0.3 -0.461 30.7-143.3 -61.7 123.1 8.2 -6.3 8.1 72 72 A A H > S+ 0 0 14 -2,-0.3 4,-3.6 1,-0.2 5,-0.4 0.923 95.3 53.9 -59.2 -45.0 9.2 -6.0 11.8 73 73 A P H > S+ 0 0 89 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.883 108.5 50.5 -59.2 -35.9 7.8 -2.5 12.4 74 74 A F H > S+ 0 0 15 -3,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.962 117.6 38.7 -63.3 -49.9 4.3 -3.6 11.2 75 75 A V H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.941 115.6 50.7 -74.3 -42.3 4.3 -6.7 13.5 76 76 A E H X S+ 0 0 67 -4,-3.6 4,-2.5 -5,-0.2 -1,-0.2 0.926 110.8 51.9 -59.0 -40.7 5.9 -5.0 16.4 77 77 A G H X S+ 0 0 29 -4,-2.3 4,-1.8 -5,-0.4 -2,-0.2 0.870 108.6 50.6 -57.2 -43.6 3.3 -2.2 16.1 78 78 A L H X S+ 0 0 7 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.907 111.5 47.0 -64.6 -42.8 0.5 -4.7 16.1 79 79 A F H X S+ 0 0 1 -4,-2.4 4,-3.2 2,-0.2 5,-0.3 0.878 106.0 57.7 -72.6 -31.1 1.8 -6.4 19.2 80 80 A A H X S+ 0 0 44 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.923 110.9 45.5 -57.1 -43.9 2.3 -3.1 20.9 81 81 A Q H X S+ 0 0 72 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.911 114.2 46.5 -61.3 -48.2 -1.4 -2.5 20.3 82 82 A I H X S+ 0 0 7 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.940 113.6 48.9 -63.9 -45.1 -2.5 -6.0 21.5 83 83 A I H X S+ 0 0 9 -4,-3.2 4,-2.9 1,-0.2 5,-0.3 0.966 110.6 51.2 -64.3 -42.3 -0.3 -5.8 24.6 84 84 A H H X S+ 0 0 131 -4,-2.6 4,-2.3 -5,-0.3 -1,-0.2 0.918 112.1 45.9 -55.9 -44.3 -1.6 -2.4 25.4 85 85 A W H X S+ 0 0 34 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.907 112.9 48.9 -68.1 -39.3 -5.2 -3.6 25.1 86 86 A Y H X S+ 0 0 3 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.861 109.6 52.1 -71.5 -35.8 -4.6 -6.8 27.1 87 87 A I H X S+ 0 0 37 -4,-2.9 4,-3.0 -5,-0.2 5,-0.2 0.956 111.3 47.5 -61.7 -49.9 -2.9 -4.8 29.9 88 88 A A H X S+ 0 0 37 -4,-2.3 4,-2.8 -5,-0.3 -2,-0.2 0.915 112.7 49.5 -57.0 -42.6 -5.8 -2.5 30.1 89 89 A E H X S+ 0 0 39 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.849 111.1 49.2 -64.3 -38.7 -8.2 -5.5 30.1 90 90 A Q H X S+ 0 0 13 -4,-2.4 4,-3.3 2,-0.2 5,-0.2 0.894 110.4 50.0 -66.5 -46.1 -6.2 -7.2 32.9 91 91 A I H X S+ 0 0 39 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.948 112.4 47.9 -56.9 -47.5 -6.2 -4.0 34.9 92 92 A K H X S+ 0 0 113 -4,-2.8 4,-2.3 -5,-0.2 -2,-0.2 0.939 113.8 47.6 -54.1 -45.6 -10.0 -3.8 34.4 93 93 A Y H X S+ 0 0 84 -4,-2.5 4,-0.7 1,-0.2 -2,-0.2 0.955 113.0 47.8 -63.9 -47.7 -10.3 -7.5 35.4 94 94 A W H < S+ 0 0 80 -4,-3.3 3,-0.5 1,-0.2 -1,-0.2 0.877 113.0 48.7 -60.5 -40.1 -8.1 -7.0 38.5 95 95 A R H < S+ 0 0 169 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.866 111.4 47.7 -71.0 -38.7 -10.1 -3.9 39.6 96 96 A Q H < 0 0 149 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.473 360.0 360.0 -83.0 -1.9 -13.6 -5.5 39.2 97 97 A T < 0 0 110 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.2 0.418 360.0 360.0-110.7 360.0 -12.4 -8.6 41.1 98 !* 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 99 1 B M 0 0 109 0, 0.0 2,-0.1 0, 0.0 12,-0.1 0.000 360.0 360.0 360.0 141.2 1.5 -25.4 27.2 100 2 B K - 0 0 91 10,-0.2 5,-0.1 1,-0.1 14,-0.0 -0.391 360.0-100.5 -70.2 157.0 -0.7 -25.8 30.3 101 3 B T > - 0 0 50 1,-0.1 4,-0.9 -2,-0.1 3,-0.4 -0.366 40.1-103.2 -67.5 159.6 -4.3 -24.6 30.2 102 4 B P T >4 S+ 0 0 19 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.885 122.5 50.3 -54.6 -40.6 -4.9 -21.2 31.9 103 5 B E T 34 S+ 0 0 139 1,-0.2 -3,-0.0 3,-0.0 -69,-0.0 0.755 110.5 51.2 -69.3 -26.7 -6.5 -22.8 35.0 104 6 B D T 34 S+ 0 0 98 -3,-0.4 -1,-0.2 6,-0.0 2,-0.1 0.546 81.2 114.7 -87.3 -7.1 -3.5 -25.3 35.3 105 7 B C << - 0 0 4 -4,-0.9 3,-0.1 -3,-0.7 -4,-0.0 -0.460 50.0-163.6 -64.1 137.7 -0.9 -22.5 35.1 106 8 B T - 0 0 102 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.459 62.1 -23.9-105.4 -5.6 0.9 -22.4 38.4 107 9 B G S > S- 0 0 15 1,-0.0 4,-1.6 0, 0.0 3,-0.4 -0.975 86.2 -62.5 176.0-175.1 2.6 -19.0 38.0 108 10 B L H > S+ 0 0 40 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.752 121.1 64.9 -72.5 -23.7 3.8 -16.4 35.6 109 11 B A H > S+ 0 0 78 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.931 107.1 42.8 -56.4 -50.3 6.3 -18.7 34.0 110 12 B D H > S+ 0 0 21 -3,-0.4 4,-1.7 2,-0.2 -2,-0.2 0.899 114.2 50.6 -61.2 -40.5 3.5 -20.9 32.8 111 13 B I H X S+ 0 0 3 -4,-1.6 4,-2.5 1,-0.2 5,-0.2 0.915 112.6 46.7 -64.8 -47.0 1.4 -18.0 31.7 112 14 B R H X S+ 0 0 78 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.872 108.0 54.2 -66.3 -43.0 4.3 -16.5 29.7 113 15 B E H X S+ 0 0 118 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.926 112.7 44.6 -53.4 -44.3 5.3 -19.6 28.0 114 16 B A H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.910 114.6 48.0 -69.9 -41.8 1.7 -20.0 26.8 115 17 B I H X S+ 0 0 13 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.904 111.7 49.7 -68.7 -41.2 1.4 -16.4 25.7 116 18 B D H X S+ 0 0 46 -4,-2.9 4,-2.4 -5,-0.2 -1,-0.2 0.912 111.8 48.6 -61.9 -38.9 4.8 -16.5 23.9 117 19 B R H X S+ 0 0 94 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.904 113.5 47.3 -68.1 -37.7 3.7 -19.7 22.1 118 20 B I H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.894 112.0 49.6 -65.0 -44.7 0.3 -18.1 21.1 119 21 B D H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.919 111.7 49.3 -64.5 -35.3 2.1 -14.8 19.9 120 22 B L H X S+ 0 0 31 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.909 108.0 53.4 -69.6 -40.7 4.5 -16.9 17.9 121 23 B D H X S+ 0 0 49 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.886 109.1 50.0 -53.3 -43.3 1.5 -18.8 16.4 122 24 B I H X S+ 0 0 5 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.908 112.0 47.0 -66.3 -43.1 -0.1 -15.5 15.4 123 25 B V H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.927 112.5 48.6 -65.4 -39.9 3.1 -14.3 13.7 124 26 B Q H X S+ 0 0 63 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.927 111.6 50.0 -64.0 -43.9 3.6 -17.5 11.9 125 27 B A H X S+ 0 0 4 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.890 109.4 51.6 -63.5 -40.8 -0.1 -17.4 10.7 126 28 B L H X S+ 0 0 3 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.870 109.0 51.9 -65.3 -33.7 0.5 -13.8 9.5 127 29 B G H X S+ 0 0 6 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.928 111.1 45.9 -66.7 -41.0 3.5 -15.1 7.6 128 30 B R H X S+ 0 0 104 -4,-2.4 4,-1.4 1,-0.2 3,-0.4 0.898 107.2 59.8 -67.2 -36.2 1.4 -17.8 6.0 129 31 B R H X S+ 0 0 6 -4,-2.5 4,-2.3 1,-0.3 -1,-0.2 0.847 101.1 54.9 -61.8 -36.0 -1.2 -15.2 5.2 130 32 B M H X S+ 0 0 9 -4,-1.5 4,-2.6 1,-0.2 -1,-0.3 0.859 101.2 56.7 -66.4 -38.0 1.2 -13.2 3.2 131 33 B D H X S+ 0 0 91 -4,-1.2 4,-2.1 -3,-0.4 -1,-0.2 0.863 109.5 46.8 -55.9 -40.6 2.0 -16.2 1.0 132 34 B Y H X S+ 0 0 13 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.877 111.2 50.1 -71.4 -41.1 -1.7 -16.4 0.2 133 35 B V H X S+ 0 0 11 -4,-2.3 4,-0.6 2,-0.2 -2,-0.2 0.927 112.2 47.7 -64.2 -40.4 -2.0 -12.7 -0.5 134 36 B K H >< S+ 0 0 67 -4,-2.6 3,-1.2 1,-0.2 4,-0.4 0.920 111.3 51.3 -63.1 -43.3 1.0 -12.9 -2.8 135 37 B A H >< S+ 0 0 17 -4,-2.1 3,-0.7 1,-0.3 4,-0.2 0.849 103.9 60.3 -58.5 -32.6 -0.5 -16.0 -4.6 136 38 B A H >< S+ 0 0 7 -4,-1.9 3,-2.6 1,-0.2 -1,-0.3 0.744 81.8 85.4 -67.5 -21.3 -3.7 -14.1 -5.1 137 39 B S T << S+ 0 0 17 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.850 84.2 54.3 -60.1 -36.9 -2.0 -11.5 -7.1 138 40 B R T < 0 0 154 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.1 0.601 360.0 360.0 -69.3 -14.1 -2.3 -13.4 -10.4 139 41 B F < 0 0 92 -3,-2.6 -1,-0.3 -4,-0.2 -2,-0.2 0.234 360.0 360.0 -97.1 360.0 -6.1 -13.8 -10.0 140 ! 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 0.0 141 48 B I 0 0 78 0, 0.0 42,-0.0 0, 0.0 43,-0.0 0.000 360.0 360.0 360.0 -46.8 -6.4 -5.7 -6.2 142 49 B P - 0 0 72 0, 0.0 5,-0.4 0, 0.0 38,-0.1 0.578 360.0-155.6 -64.3 -2.4 -7.8 -3.8 -3.2 143 50 B A > - 0 0 28 3,-0.1 4,-2.2 1,-0.1 3,-0.3 0.812 5.4-158.9 25.9 78.0 -10.9 -6.0 -4.0 144 51 B P H > S+ 0 0 112 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.801 82.4 45.4 -56.4 -41.1 -13.4 -3.5 -2.5 145 52 B E H > S+ 0 0 178 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.843 111.0 56.1 -75.4 -36.3 -16.4 -5.8 -1.8 146 53 B R H > S+ 0 0 46 -3,-0.3 4,-1.9 2,-0.2 3,-0.3 0.965 111.4 42.0 -56.1 -54.0 -14.1 -8.5 -0.3 147 54 B V H X S+ 0 0 34 -4,-2.2 4,-1.9 -5,-0.4 -2,-0.2 0.916 112.4 55.1 -59.8 -39.7 -12.6 -6.0 2.3 148 55 B A H < S+ 0 0 67 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.856 113.0 40.5 -67.4 -34.3 -15.9 -4.6 3.0 149 56 B A H X S+ 0 0 63 -4,-1.7 4,-1.1 -3,-0.3 -1,-0.2 0.854 110.1 60.7 -83.1 -24.0 -17.4 -7.9 3.9 150 57 B M H X S+ 0 0 9 -4,-1.9 4,-2.3 1,-0.2 5,-0.2 0.860 95.4 59.2 -72.6 -39.4 -14.3 -9.2 5.7 151 58 B L H X S+ 0 0 33 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.947 105.6 44.8 -62.2 -47.5 -14.2 -6.7 8.4 152 59 B P H > S+ 0 0 71 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.829 110.8 58.3 -66.1 -25.4 -17.7 -7.3 10.0 153 60 B E H X S+ 0 0 46 -4,-1.1 4,-2.2 2,-0.2 -2,-0.2 0.942 107.3 45.3 -67.2 -50.6 -16.9 -11.0 9.8 154 61 B R H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.855 110.4 54.8 -60.2 -34.5 -13.8 -10.5 11.9 155 62 B A H X S+ 0 0 6 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.903 108.9 48.7 -65.2 -39.2 -15.9 -8.4 14.3 156 63 B R H X S+ 0 0 118 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.907 108.5 52.0 -68.8 -41.4 -18.4 -11.2 14.7 157 64 B W H X S+ 0 0 13 -4,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.879 107.6 54.4 -60.9 -39.1 -15.6 -13.7 15.3 158 65 B A H ><>S+ 0 0 0 -4,-1.9 5,-2.7 2,-0.2 3,-0.9 0.951 107.6 48.0 -57.5 -53.5 -14.3 -11.4 18.0 159 66 B E H ><5S+ 0 0 124 -4,-2.0 3,-1.0 1,-0.2 -2,-0.2 0.838 111.1 53.0 -51.7 -38.7 -17.8 -11.3 19.7 160 67 B E H 3<5S+ 0 0 113 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.682 111.5 45.9 -76.2 -17.9 -17.9 -15.1 19.5 161 68 B N T <<5S- 0 0 52 -4,-1.1 -1,-0.2 -3,-0.9 -2,-0.2 0.154 119.3-103.9-108.0 17.4 -14.5 -15.4 21.2 162 69 B G T < 5S+ 0 0 63 -3,-1.0 2,-0.4 1,-0.3 -3,-0.2 0.768 79.0 126.6 69.4 33.2 -15.1 -13.0 24.0 163 70 B L S - 0 0 79 -2,-0.4 4,-1.8 1,-0.1 5,-0.2 -0.425 31.3-143.3 -61.2 125.5 -14.2 -6.6 22.0 165 72 B A H > S+ 0 0 14 1,-0.2 4,-3.6 -2,-0.2 5,-0.4 0.927 94.3 53.7 -64.4 -45.4 -15.2 -6.2 18.4 166 73 B P H > S+ 0 0 87 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.895 109.3 49.6 -58.6 -36.4 -14.0 -2.7 17.7 167 74 B F H > S+ 0 0 29 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.950 117.0 40.7 -64.6 -51.5 -10.5 -3.6 19.0 168 75 B V H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.940 114.5 50.2 -65.9 -43.3 -10.3 -6.7 16.8 169 76 B E H X S+ 0 0 64 -4,-3.6 4,-2.6 1,-0.2 -1,-0.2 0.900 109.5 53.8 -59.7 -37.9 -11.9 -5.1 13.7 170 77 B G H X S+ 0 0 30 -4,-2.0 4,-1.8 -5,-0.4 -1,-0.2 0.885 108.0 49.8 -65.4 -42.6 -9.4 -2.2 14.1 171 78 B L H X S+ 0 0 5 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.936 112.3 46.8 -58.4 -50.2 -6.5 -4.7 14.1 172 79 B F H X S+ 0 0 1 -4,-2.5 4,-3.5 2,-0.2 5,-0.2 0.862 106.0 57.9 -63.9 -34.5 -7.8 -6.4 11.0 173 80 B A H X S+ 0 0 41 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.918 112.0 43.7 -56.2 -43.8 -8.4 -3.1 9.2 174 81 B Q H X S+ 0 0 79 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.919 114.7 47.8 -67.0 -47.5 -4.6 -2.4 9.8 175 82 B I H X S+ 0 0 7 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.946 112.6 49.2 -58.3 -50.7 -3.6 -5.9 8.8 176 83 B I H X S+ 0 0 8 -4,-3.5 4,-2.6 1,-0.2 5,-0.2 0.927 111.8 48.6 -60.2 -43.2 -5.7 -5.8 5.6 177 84 B H H X S+ 0 0 142 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.905 112.2 48.7 -60.4 -40.6 -4.4 -2.4 4.6 178 85 B W H X S+ 0 0 83 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.948 113.9 45.8 -68.4 -42.7 -0.8 -3.5 5.1 179 86 B Y H X S+ 0 0 3 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.877 108.7 55.3 -69.1 -36.8 -1.3 -6.7 3.1 180 87 B I H X S+ 0 0 39 -4,-2.6 4,-2.9 -5,-0.2 -1,-0.2 0.958 109.7 47.6 -58.4 -47.5 -3.1 -4.9 0.3 181 88 B A H X S+ 0 0 45 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.889 112.0 49.7 -59.2 -40.8 -0.1 -2.6 0.0 182 89 B E H X S+ 0 0 47 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.850 110.6 50.3 -70.2 -28.9 2.3 -5.6 0.0 183 90 B Q H X S+ 0 0 18 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.925 110.5 48.9 -75.0 -41.8 0.2 -7.2 -2.6 184 91 B I H X S+ 0 0 62 -4,-2.9 4,-2.8 -5,-0.2 5,-0.2 0.957 112.1 48.9 -59.2 -44.0 0.3 -4.1 -4.7 185 92 B K H X S+ 0 0 127 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.910 112.6 48.4 -56.8 -46.8 4.2 -4.0 -4.2 186 93 B Y H X S+ 0 0 82 -4,-2.6 4,-1.3 2,-0.2 -1,-0.2 0.911 112.5 48.3 -62.0 -41.7 4.5 -7.6 -5.1 187 94 B W H < S+ 0 0 148 -4,-2.6 3,-0.3 1,-0.2 -2,-0.2 0.930 115.3 43.7 -69.5 -45.2 2.3 -7.1 -8.3 188 95 B R H < S+ 0 0 205 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.849 113.7 51.1 -61.4 -41.7 4.3 -4.0 -9.4 189 96 B Q H < 0 0 151 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.685 360.0 360.0 -73.4 -23.3 7.7 -5.6 -8.6 190 97 B T < 0 0 113 -4,-1.3 -2,-0.2 -3,-0.3 -3,-0.2 0.548 360.0 360.0-117.8 360.0 6.8 -8.7 -10.7