==== 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 CHORISMATE MUTASE 28-NOV-94 1ECM . COMPND 2 MOLECULE: ENDO-OXABICYCLIC TRANSITION STATE ANALOGUE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.CLARDY,A.Y.LEE . 186 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10866.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 168 90.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 79.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.2 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 1 1 0 0 0 0 0 1 0 0 0 0 0 3 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 5 A N > 0 0 111 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 140.4 38.9 12.1 59.9 2 6 A P H > + 0 0 69 0, 0.0 4,-1.4 0, 0.0 3,-0.4 0.998 360.0 44.2 -58.9 -60.0 37.6 10.2 56.8 3 7 A L H > S+ 0 0 1 1,-0.2 4,-1.7 122,-0.2 3,-0.1 0.847 114.0 51.9 -52.4 -41.9 34.7 12.6 56.2 4 8 A L H > S+ 0 0 98 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.871 102.6 54.1 -66.8 -43.5 36.9 15.7 56.8 5 9 A A H X S+ 0 0 56 -4,-2.0 4,-0.9 -3,-0.4 -1,-0.2 0.868 111.1 47.7 -61.4 -35.3 39.7 15.1 54.4 6 10 A L H X S+ 0 0 28 -4,-1.4 4,-2.4 2,-0.2 3,-0.5 0.916 107.3 55.2 -71.1 -45.0 37.3 14.6 51.5 7 11 A R H X S+ 0 0 40 -4,-1.7 4,-3.2 1,-0.3 -1,-0.2 0.859 103.6 55.2 -58.1 -35.5 35.3 17.8 52.4 8 12 A E H X S+ 0 0 146 -4,-1.8 4,-1.5 1,-0.2 -1,-0.3 0.855 108.8 49.0 -66.4 -31.4 38.5 19.8 52.2 9 13 A K H X S+ 0 0 129 -4,-0.9 4,-1.9 -3,-0.5 -2,-0.2 0.886 111.4 48.7 -72.2 -39.6 39.0 18.4 48.7 10 14 A I H X S+ 0 0 15 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.953 110.5 50.9 -64.3 -46.4 35.4 19.3 47.9 11 15 A S H X S+ 0 0 16 -4,-3.2 4,-1.0 1,-0.2 -1,-0.2 0.821 111.4 48.2 -60.8 -35.0 35.9 22.9 49.2 12 16 A A H X S+ 0 0 44 -4,-1.5 4,-1.0 -5,-0.2 -1,-0.2 0.847 111.7 49.8 -72.7 -38.6 39.1 23.3 47.2 13 17 A L H >X S+ 0 0 5 -4,-1.9 4,-1.9 2,-0.2 3,-0.8 0.931 107.3 53.6 -65.3 -45.5 37.4 22.1 44.1 14 18 A D H 3X S+ 0 0 1 -4,-2.9 4,-1.6 1,-0.3 -1,-0.2 0.801 105.0 56.7 -59.3 -30.0 34.4 24.4 44.6 15 19 A E H 3X S+ 0 0 88 -4,-1.0 4,-1.1 -5,-0.2 -1,-0.3 0.787 105.2 50.0 -69.3 -36.3 36.9 27.3 44.8 16 20 A K H X S+ 0 0 88 -4,-2.1 4,-2.2 1,-0.3 3,-0.7 0.965 110.8 48.3 -57.2 -51.2 34.2 40.2 25.3 31 35 A V H 3X S+ 0 0 7 -4,-2.9 4,-1.7 1,-0.3 -1,-0.3 0.795 107.8 59.3 -60.0 -24.0 31.8 38.4 23.1 32 36 A G H 3X S+ 0 0 0 -4,-1.0 4,-0.7 -5,-0.2 -1,-0.3 0.879 104.9 46.8 -70.6 -39.8 29.4 41.1 24.2 33 37 A K H XX S+ 0 0 101 -4,-1.8 4,-2.0 -3,-0.7 3,-0.5 0.921 110.4 53.2 -66.6 -45.3 31.8 43.8 22.8 34 38 A A H 3X S+ 0 0 12 -4,-2.2 4,-2.5 1,-0.3 5,-0.3 0.866 107.8 49.4 -58.4 -42.2 32.2 41.9 19.5 35 39 A K H 3<>S+ 0 0 10 -4,-1.7 5,-1.5 -5,-0.2 -1,-0.3 0.725 107.9 58.6 -70.7 -20.2 28.5 41.6 18.9 36 40 A L H <<5S+ 0 0 48 -4,-0.7 -2,-0.2 -3,-0.5 -1,-0.2 0.990 115.7 29.7 -70.6 -59.9 28.3 45.3 19.6 37 41 A L H <5S+ 0 0 130 -4,-2.0 -2,-0.2 1,-0.3 -3,-0.1 0.958 126.4 44.5 -64.7 -52.5 30.7 46.5 16.8 38 42 A S T <5S- 0 0 56 -4,-2.5 -1,-0.3 -5,-0.2 -3,-0.2 0.659 107.9-137.8 -65.8 -14.0 29.8 43.6 14.5 39 43 A H T 5 + 0 0 160 -5,-0.3 -3,-0.2 1,-0.2 -4,-0.1 0.911 45.8 154.1 55.2 50.4 26.2 44.4 15.5 40 44 A R < - 0 0 111 -5,-1.5 -1,-0.2 -6,-0.1 2,-0.1 -0.693 49.1 -99.3-102.2 155.9 25.1 40.8 16.0 41 45 A P - 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 -0.489 26.2-126.4 -75.6 150.9 22.3 39.8 18.3 42 46 A V S S+ 0 0 12 -2,-0.1 2,-0.3 39,-0.0 -6,-0.0 0.945 89.2 68.0 -60.4 -56.1 23.2 38.4 21.8 43 47 A R + 0 0 126 1,-0.1 2,-0.3 38,-0.1 3,-0.1 -0.544 51.6 172.6 -76.5 132.9 21.2 35.2 21.6 44 48 A D >> - 0 0 55 -2,-0.3 4,-1.9 1,-0.1 3,-0.6 -0.765 6.2-177.1-137.7 82.5 22.3 32.5 19.1 45 49 A I H 3> S+ 0 0 81 -2,-0.3 4,-1.3 1,-0.2 -1,-0.1 0.767 81.2 59.9 -56.4 -25.7 20.2 29.4 19.8 46 50 A D H 3> S+ 0 0 102 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.921 103.8 47.0 -71.8 -40.5 22.2 27.5 17.2 47 51 A R H <> S+ 0 0 46 -3,-0.6 4,-2.3 1,-0.2 5,-0.2 0.927 110.5 55.4 -64.7 -40.3 25.6 27.9 18.9 48 52 A E H X S+ 0 0 25 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.837 104.7 53.1 -61.6 -33.0 23.9 26.9 22.2 49 53 A R H X S+ 0 0 149 -4,-1.3 4,-2.2 -5,-0.2 -1,-0.2 0.934 113.0 41.8 -69.2 -43.0 22.7 23.7 20.6 50 54 A D H X S+ 0 0 100 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.794 114.0 52.5 -72.5 -33.3 26.1 22.6 19.3 51 55 A L H X S+ 0 0 10 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.941 113.0 44.1 -67.2 -48.1 27.8 23.7 22.5 52 56 A L H X S+ 0 0 26 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.900 112.1 51.7 -66.1 -43.7 25.4 21.6 24.7 53 57 A E H X S+ 0 0 124 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.906 109.7 50.6 -59.5 -42.0 25.5 18.6 22.4 54 58 A R H X S+ 0 0 88 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.890 111.4 47.7 -62.4 -43.2 29.3 18.6 22.5 55 59 A L H X S+ 0 0 1 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.867 109.0 53.1 -66.7 -37.9 29.3 18.8 26.4 56 60 A I H X S+ 0 0 50 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.888 112.0 47.0 -64.1 -37.4 26.8 16.0 26.7 57 61 A T H X S+ 0 0 78 -4,-1.9 4,-0.9 2,-0.2 3,-0.5 0.946 114.8 44.3 -67.1 -53.0 29.1 13.9 24.4 58 62 A L H >X S+ 0 0 51 -4,-2.7 4,-0.7 1,-0.2 3,-0.6 0.897 110.8 58.5 -59.7 -36.6 32.3 14.7 26.4 59 63 A G H >X>S+ 0 0 0 -4,-2.7 5,-2.7 1,-0.2 3,-0.7 0.797 93.0 62.8 -65.1 -32.6 30.3 14.2 29.6 60 64 A K H ><5S+ 0 0 137 -4,-1.2 3,-0.9 -3,-0.5 -1,-0.2 0.884 99.8 56.2 -62.6 -33.4 29.3 10.6 28.9 61 65 A A H <<5S+ 0 0 77 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.800 110.2 45.1 -63.8 -32.3 33.0 9.8 29.0 62 66 A H H <<5S- 0 0 79 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.418 118.4-115.2 -89.2 -5.3 33.1 11.3 32.5 63 67 A H T <<5S+ 0 0 156 -3,-0.9 2,-0.5 -4,-0.5 -3,-0.2 0.760 70.2 140.5 71.9 30.4 29.9 9.4 33.5 64 68 A L < - 0 0 3 -5,-2.7 -1,-0.3 -8,-0.1 -2,-0.2 -0.882 49.6-127.0-102.3 128.8 28.0 12.7 33.8 65 69 A D > - 0 0 68 -2,-0.5 4,-2.0 -3,-0.1 3,-0.4 -0.492 13.1-116.7 -81.0 155.4 24.5 12.3 32.5 66 70 A A H > S+ 0 0 42 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.742 108.8 59.9 -58.2 -32.8 22.8 14.6 29.9 67 71 A H H > S+ 0 0 114 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.933 108.8 40.9 -64.5 -50.4 20.1 15.8 32.3 68 72 A Y H > S+ 0 0 7 -3,-0.4 4,-2.4 2,-0.2 5,-0.2 0.906 117.2 49.4 -64.1 -44.3 22.5 17.3 34.9 69 73 A I H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.913 111.3 49.1 -63.4 -43.0 24.7 18.8 32.2 70 74 A T H X S+ 0 0 38 -4,-2.5 4,-2.3 -5,-0.2 5,-0.2 0.968 114.4 45.0 -60.8 -52.2 21.8 20.3 30.3 71 75 A R H X S+ 0 0 73 -4,-2.3 4,-1.0 -5,-0.2 -2,-0.2 0.888 115.6 45.6 -59.2 -45.5 20.4 21.9 33.5 72 76 A L H X S+ 0 0 3 -4,-2.4 4,-1.4 1,-0.2 3,-0.4 0.946 116.5 44.2 -67.0 -45.5 23.7 23.2 34.8 73 77 A F H X S+ 0 0 1 -4,-2.6 4,-2.5 -5,-0.2 5,-0.2 0.802 105.5 59.8 -74.1 -26.2 24.9 24.6 31.5 74 78 A Q H X S+ 0 0 107 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 0.837 107.1 49.4 -66.0 -32.1 21.6 26.3 30.5 75 79 A L H X S+ 0 0 10 -4,-1.0 4,-2.6 -3,-0.4 -2,-0.2 0.881 111.2 48.0 -71.9 -41.9 21.9 28.3 33.7 76 80 A I H X S+ 0 0 5 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.879 116.0 44.3 -65.7 -39.3 25.5 29.3 32.9 77 81 A I H X S+ 0 0 11 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.913 110.5 55.4 -71.6 -41.0 24.4 30.2 29.4 78 82 A E H X S+ 0 0 84 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.947 110.9 44.3 -55.8 -48.3 21.3 32.0 30.8 79 83 A D H X S+ 0 0 14 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.864 109.9 57.5 -64.7 -35.5 23.6 34.1 33.0 80 84 A S H X S+ 0 0 14 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.870 107.6 45.4 -63.5 -40.0 25.9 34.6 30.0 81 85 A V H X S+ 0 0 17 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.903 112.2 52.7 -70.8 -39.0 23.1 36.1 27.9 82 86 A L H X S+ 0 0 99 -4,-2.1 4,-1.1 -5,-0.2 -2,-0.2 0.908 108.4 51.7 -60.1 -43.8 22.0 38.3 30.9 83 87 A T H X S+ 0 0 27 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.904 112.4 44.3 -60.0 -43.7 25.6 39.5 31.2 84 88 A Q H X S+ 0 0 10 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.887 108.7 55.1 -71.8 -41.7 25.8 40.5 27.5 85 89 A Q H X S+ 0 0 77 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.755 106.1 54.0 -64.4 -22.8 22.4 42.2 27.3 86 90 A A H X S+ 0 0 45 -4,-1.1 4,-0.6 -5,-0.2 -1,-0.2 0.932 106.3 51.2 -75.0 -44.6 23.5 44.4 30.2 87 91 A L H >< S+ 0 0 32 -4,-1.5 3,-0.8 1,-0.2 -2,-0.2 0.880 110.5 50.2 -58.4 -40.7 26.7 45.4 28.3 88 92 A L H >< S+ 0 0 46 -4,-2.0 3,-2.1 1,-0.2 -1,-0.2 0.934 105.0 54.7 -66.7 -43.4 24.6 46.4 25.4 89 93 A Q H 3< S+ 0 0 148 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.535 101.1 62.0 -69.2 -3.9 22.1 48.5 27.3 90 94 A Q T << 0 0 134 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.256 360.0 360.0-100.5 6.5 25.0 50.5 28.6 91 95 A H < 0 0 159 -3,-2.1 -3,-0.1 -55,-0.0 -2,-0.0 -0.163 360.0 360.0-145.6 360.0 25.9 51.5 25.1 92 !* 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 93 6 B P > 0 0 104 0, 0.0 4,-1.3 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 -24.3 36.5 37.7 16.1 94 7 B L H > + 0 0 4 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.889 360.0 58.8 -65.0 -42.5 33.6 35.8 17.7 95 8 B L H > S+ 0 0 132 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.806 100.7 55.6 -60.3 -32.0 35.2 32.5 16.7 96 9 B A H > S+ 0 0 57 -3,-0.3 4,-1.0 2,-0.2 3,-0.2 0.965 112.8 41.2 -65.6 -47.8 38.3 33.2 18.6 97 10 B L H >X S+ 0 0 16 -4,-1.3 4,-2.5 1,-0.2 3,-0.6 0.885 110.2 56.6 -66.9 -41.2 36.4 33.8 21.9 98 11 B R H 3X S+ 0 0 44 -4,-2.7 4,-2.3 1,-0.3 -1,-0.2 0.836 103.6 56.1 -60.8 -30.5 34.0 30.9 21.3 99 12 B E H 3X S+ 0 0 155 -4,-1.3 4,-0.9 -3,-0.2 -1,-0.3 0.824 108.3 47.1 -71.4 -30.4 37.1 28.6 21.1 100 13 B K H X S+ 0 0 2 -4,-2.4 4,-2.1 1,-0.2 3,-0.6 0.926 108.5 53.4 -63.1 -44.4 36.8 26.5 29.6 105 18 B D H 3X S+ 0 0 1 -4,-2.9 4,-2.7 1,-0.3 -1,-0.2 0.859 104.6 55.6 -60.1 -35.9 33.6 24.5 29.6 106 19 B E H 3X S+ 0 0 87 -4,-1.2 4,-1.8 1,-0.2 -1,-0.3 0.826 107.5 49.2 -65.6 -34.9 35.6 21.4 29.1 107 20 B K H X S+ 0 0 109 -4,-2.2 4,-1.5 1,-0.2 3,-0.8 0.945 108.7 51.9 -59.0 -48.5 31.2 5.3 51.2 125 38 B A H 3X S+ 0 0 8 -4,-2.3 4,-1.9 1,-0.3 -1,-0.2 0.757 105.7 55.8 -59.8 -29.2 32.7 7.1 54.3 126 39 B K H 3X>S+ 0 0 14 -4,-1.3 5,-2.1 -3,-0.2 4,-0.8 0.799 102.1 55.8 -75.4 -29.6 29.2 7.7 55.6 127 40 B L H <<5S+ 0 0 58 -4,-1.4 3,-0.2 -3,-0.8 -2,-0.2 0.923 111.3 43.6 -67.8 -42.1 28.3 4.1 55.4 128 41 B L H <5S+ 0 0 133 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.914 117.8 44.5 -66.0 -47.4 31.3 3.2 57.7 129 42 B S H <5S- 0 0 41 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.572 107.9-128.0 -74.6 -9.7 30.6 6.1 60.0 130 43 B H T <5 + 0 0 168 -4,-0.8 -3,-0.2 1,-0.2 -4,-0.1 0.789 58.6 145.3 65.1 30.2 26.9 5.2 60.0 131 44 B R < - 0 0 105 -5,-2.1 -1,-0.2 -6,-0.2 2,-0.1 -0.681 51.6-109.4 -98.6 152.0 26.0 8.8 59.1 132 45 B P - 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 -0.407 26.6-116.1 -76.0 158.5 23.0 9.8 56.8 133 46 B V S S+ 0 0 16 -2,-0.1 2,-0.2 42,-0.0 -2,-0.0 0.936 92.2 67.8 -58.6 -55.0 23.6 11.2 53.4 134 47 B R + 0 0 131 1,-0.0 2,-0.3 38,-0.0 38,-0.0 -0.494 53.4 177.9 -76.3 139.8 22.2 14.7 53.8 135 48 B D > - 0 0 52 -2,-0.2 4,-1.8 1,-0.1 5,-0.2 -0.775 6.7-176.1-142.8 92.9 23.9 17.3 56.0 136 49 B I H > S+ 0 0 96 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.854 82.4 58.1 -58.8 -38.8 22.1 20.6 56.0 137 50 B D H > S+ 0 0 117 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.944 106.8 47.5 -57.9 -50.6 24.7 22.3 58.3 138 51 B R H > S+ 0 0 48 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.906 112.3 49.4 -58.3 -44.5 27.6 21.5 55.9 139 52 B E H X S+ 0 0 30 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.856 109.6 52.6 -64.4 -36.8 25.6 22.8 52.9 140 53 B R H X S+ 0 0 164 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.957 114.7 41.4 -63.0 -49.0 24.7 26.0 54.8 141 54 B D H X S+ 0 0 97 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.942 112.3 53.4 -64.2 -50.2 28.3 26.6 55.6 142 55 B L H X S+ 0 0 13 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.898 110.9 48.0 -51.9 -43.0 29.7 25.6 52.2 143 56 B L H X S+ 0 0 35 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.900 109.6 51.1 -72.4 -38.5 27.3 28.0 50.5 144 57 B E H X S+ 0 0 87 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.908 110.9 49.3 -64.7 -38.4 28.2 30.9 52.8 145 58 B R H X S+ 0 0 83 -4,-2.6 4,-2.4 1,-0.2 5,-0.3 0.950 112.3 48.4 -63.8 -46.0 31.8 30.4 52.1 146 59 B L H X S+ 0 0 1 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.849 109.9 51.2 -62.6 -37.5 31.2 30.3 48.3 147 60 B I H X S+ 0 0 39 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.896 111.3 48.8 -67.9 -37.5 29.1 33.4 48.4 148 61 B T H X S+ 0 0 96 -4,-2.0 4,-0.7 2,-0.2 -2,-0.2 0.913 116.9 40.2 -66.9 -48.7 31.9 35.3 50.3 149 62 B L H >X S+ 0 0 56 -4,-2.4 4,-0.8 1,-0.2 3,-0.6 0.856 110.4 59.7 -67.9 -36.2 34.6 34.2 48.0 150 63 B G H ><>S+ 0 0 0 -4,-2.4 5,-2.3 -5,-0.3 3,-1.0 0.883 94.6 65.6 -59.9 -35.2 32.4 34.7 44.9 151 64 B K H ><5S+ 0 0 125 -4,-1.5 3,-1.6 1,-0.3 -1,-0.2 0.870 94.9 56.9 -54.6 -40.7 32.1 38.3 45.9 152 65 B A H <<5S+ 0 0 77 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.830 109.6 45.2 -62.0 -31.7 35.8 38.9 45.2 153 66 B H T <<5S- 0 0 73 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.274 118.8-113.0 -92.0 5.0 35.2 37.6 41.6 154 67 B H T < 5 + 0 0 156 -3,-1.6 2,-0.4 1,-0.3 -3,-0.2 0.645 67.5 147.8 70.4 19.3 32.1 39.8 41.3 155 68 B L < - 0 0 3 -5,-2.3 -1,-0.3 -6,-0.1 2,-0.1 -0.713 46.9-124.3 -84.8 129.1 29.9 36.7 41.1 156 69 B D > - 0 0 77 -2,-0.4 4,-2.3 -3,-0.1 3,-0.4 -0.454 11.3-119.1 -79.4 151.6 26.6 37.5 42.7 157 70 B A H > S+ 0 0 28 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.800 109.9 49.2 -53.8 -45.3 25.0 35.5 45.6 158 71 B H H > S+ 0 0 153 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.817 110.7 50.4 -68.9 -31.7 21.8 34.4 43.8 159 72 B Y H > S+ 0 0 9 -3,-0.4 4,-1.8 2,-0.2 -2,-0.2 0.938 113.3 46.9 -68.0 -49.8 23.7 33.2 40.7 160 73 B I H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.898 113.1 49.2 -59.2 -41.5 26.0 31.2 43.0 161 74 B T H X S+ 0 0 32 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.949 110.1 48.9 -65.5 -47.3 23.1 29.8 45.0 162 75 B R H X S+ 0 0 111 -4,-2.3 4,-0.7 1,-0.2 -1,-0.2 0.842 116.5 45.3 -58.4 -38.7 21.1 28.7 41.9 163 76 B L H X S+ 0 0 3 -4,-1.8 4,-1.6 2,-0.2 3,-0.5 0.914 114.2 43.7 -74.0 -48.5 24.2 27.0 40.5 164 77 B F H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 5,-0.3 0.758 103.8 66.6 -73.4 -18.0 25.4 25.2 43.6 165 78 B Q H X S+ 0 0 120 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.862 105.6 43.3 -65.5 -39.0 21.9 24.1 44.4 166 79 B L H X S+ 0 0 27 -4,-0.7 4,-2.5 -3,-0.5 -2,-0.2 0.912 114.7 49.8 -71.1 -45.9 22.0 21.9 41.3 167 80 B I H X S+ 0 0 5 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.917 115.1 42.5 -59.6 -47.2 25.6 20.7 42.0 168 81 B I H X S+ 0 0 14 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.891 112.2 54.6 -68.0 -40.9 24.7 19.8 45.6 169 82 B E H X S+ 0 0 78 -4,-1.7 4,-2.4 -5,-0.3 5,-0.2 0.940 109.5 48.5 -58.6 -45.9 21.4 18.2 44.6 170 83 B D H X S+ 0 0 15 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.902 111.9 47.2 -62.5 -44.2 23.2 16.0 42.1 171 84 B S H X S+ 0 0 14 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.813 110.7 53.5 -69.8 -28.1 25.8 14.9 44.6 172 85 B V H X S+ 0 0 12 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.959 111.5 44.9 -68.2 -46.7 23.1 14.2 47.2 173 86 B L H X S+ 0 0 87 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.839 108.9 57.0 -64.3 -37.2 21.2 12.0 44.7 174 87 B T H X S+ 0 0 25 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.906 110.5 44.0 -60.3 -41.4 24.4 10.2 43.7 175 88 B Q H X S+ 0 0 11 -4,-1.5 4,-1.9 1,-0.2 -2,-0.2 0.849 110.4 54.7 -71.4 -37.9 25.0 9.3 47.3 176 89 B Q H X S+ 0 0 90 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.769 102.9 58.0 -66.4 -25.3 21.4 8.2 47.7 177 90 B A H X S+ 0 0 59 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.870 109.0 44.3 -70.7 -37.9 21.8 5.9 44.7 178 91 B L H X S+ 0 0 53 -4,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.814 112.5 52.1 -75.8 -31.4 24.7 4.1 46.5 179 92 B L H X S+ 0 0 58 -4,-1.9 4,-3.4 2,-0.2 -2,-0.2 0.911 109.9 48.5 -67.8 -48.1 22.8 4.0 49.8 180 93 B Q H X S+ 0 0 110 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.898 113.0 47.8 -57.7 -47.2 19.7 2.4 48.2 181 94 B Q H >X S+ 0 0 95 -4,-1.6 4,-2.0 2,-0.2 3,-0.5 0.972 114.0 47.7 -57.9 -54.3 21.8 -0.1 46.4 182 95 B H H 3X S+ 0 0 55 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.923 110.6 51.7 -51.2 -51.8 23.6 -0.8 49.7 183 96 B L H 3X S+ 0 0 70 -4,-3.4 4,-0.7 1,-0.2 -1,-0.2 0.771 109.2 49.7 -60.4 -31.0 20.3 -1.1 51.6 184 97 B N H << S+ 0 0 102 -4,-1.7 -1,-0.2 -3,-0.5 -2,-0.2 0.843 112.7 48.4 -78.8 -30.0 18.9 -3.6 49.1 185 98 B K H < S+ 0 0 151 -4,-2.0 -2,-0.2 -3,-0.3 -3,-0.1 0.952 115.4 39.3 -74.4 -49.4 22.0 -5.7 49.3 186 99 B I H < 0 0 117 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.632 360.0 360.0 -75.2 -13.0 22.4 -6.0 53.1 187 100 B N < 0 0 176 -4,-0.7 -3,-0.2 -5,-0.3 -4,-0.0 0.383 360.0 360.0-113.7 360.0 18.6 -6.3 53.5