==== 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 CARBON-OXYGEN LYASE 11-OCT-95 1TTP . COMPND 2 MOLECULE: TRYPTOPHAN SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR S.RHEE,K.PARRIS,S.AHMED,E.W.MILES,D.R.DAVIES . 645 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24332.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 514 79.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 74 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 45 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 249 38.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.3 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 1 1 3 1 3 2 3 1 2 3 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 4 3 2 2 1 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 . 4 2 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 2 1 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 45 0, 0.0 3,-1.6 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 -65.1 39.8 22.0 30.5 2 2 A E T >> + 0 0 129 1,-0.3 4,-1.5 2,-0.2 3,-0.7 0.572 360.0 72.3 -39.7 -52.6 36.1 23.1 31.1 3 3 A R H 3> S+ 0 0 65 1,-0.3 4,-2.7 2,-0.2 -1,-0.3 0.788 96.1 56.3 -49.2 -30.5 35.9 26.6 29.6 4 4 A Y H <> S+ 0 0 2 -3,-1.6 4,-2.8 2,-0.2 5,-0.3 0.965 104.6 51.1 -61.1 -50.5 36.1 25.1 26.1 5 5 A E H <> S+ 0 0 134 -3,-0.7 4,-1.1 -4,-0.4 -1,-0.2 0.800 111.1 49.2 -60.9 -29.1 33.1 22.9 26.8 6 6 A N H X S+ 0 0 78 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.943 111.0 49.6 -74.7 -46.0 31.3 26.1 27.9 7 7 A L H X S+ 0 0 15 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.967 111.7 46.6 -55.0 -56.6 32.3 28.0 24.7 8 8 A F H X S+ 0 0 32 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.799 111.7 53.0 -61.0 -26.5 31.2 25.2 22.3 9 9 A A H X S+ 0 0 48 -4,-1.1 4,-2.4 -5,-0.3 -1,-0.2 0.974 111.5 44.8 -69.4 -49.8 27.9 24.9 24.2 10 10 A Q H X S+ 0 0 98 -4,-2.4 4,-0.5 1,-0.2 -2,-0.2 0.925 113.7 48.6 -62.1 -45.8 27.1 28.6 23.9 11 11 A L H ><>S+ 0 0 2 -4,-2.6 5,-3.1 2,-0.2 3,-1.2 0.911 110.3 52.3 -62.1 -43.3 28.1 28.8 20.3 12 12 A N H ><5S+ 0 0 121 -4,-1.8 3,-2.0 1,-0.3 -2,-0.2 0.966 106.3 53.0 -56.6 -51.3 26.0 25.8 19.4 13 13 A D H 3<5S+ 0 0 134 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.596 114.7 42.6 -66.5 -8.2 22.9 27.2 21.0 14 14 A R T <<5S- 0 0 116 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.048 115.7-109.3-126.5 32.1 23.3 30.4 19.0 15 15 A R T < 5S+ 0 0 142 -3,-2.0 2,-0.3 1,-0.2 -3,-0.2 0.741 72.6 140.0 53.9 35.2 24.2 28.8 15.6 16 16 A E < - 0 0 45 -5,-3.1 2,-0.4 240,-0.2 240,-0.2 -0.772 46.1-148.3-115.5 145.1 27.8 29.9 15.8 17 17 A G - 0 0 4 238,-1.4 202,-0.3 -2,-0.3 201,-0.1 -0.878 33.9-109.2-104.7 143.8 31.2 28.5 14.9 18 18 A A E -a 219 0A 0 200,-2.4 202,-2.3 -2,-0.4 2,-0.5 -0.386 23.8-158.7 -71.9 146.3 34.3 29.5 17.0 19 19 A F E -a 220 0A 0 200,-0.2 27,-2.2 25,-0.2 28,-0.7 -0.994 11.5-171.8-127.2 126.5 37.0 31.7 15.5 20 20 A V E -a 221 0A 2 200,-2.5 202,-2.1 -2,-0.5 2,-0.2 -0.952 9.6-151.9-122.8 113.5 40.4 31.6 17.2 21 21 A P E -a 222 0A 0 0, 0.0 28,-1.7 0, 0.0 2,-0.4 -0.569 7.6-149.9 -76.0 141.3 43.4 33.9 16.6 22 22 A F E +e 49 0B 12 200,-2.2 2,-0.3 201,-0.4 205,-0.2 -0.874 26.5 156.2-105.4 151.1 47.0 32.8 17.1 23 23 A V E -e 50 0B 2 26,-1.0 28,-2.0 -2,-0.4 2,-0.5 -0.959 41.8-104.5-164.4 157.7 49.7 35.3 18.1 24 24 A T E > -e 51 0B 2 -2,-0.3 3,-1.6 26,-0.2 2,-0.4 -0.829 33.2-119.7 -99.1 131.4 53.0 35.1 19.9 25 25 A L T 3 S+ 0 0 0 26,-2.9 5,-0.1 -2,-0.5 56,-0.1 -0.578 99.9 23.6 -71.0 122.1 53.3 36.2 23.5 26 26 A G T > S+ 0 0 0 -2,-0.4 3,-1.0 1,-0.3 -1,-0.3 0.431 87.7 164.9 102.2 2.6 55.7 39.1 23.7 27 27 A D T < S- 0 0 1 -3,-1.6 -1,-0.3 1,-0.4 44,-0.1 -0.786 74.8 -9.4 -97.5 136.2 55.5 40.2 20.0 28 28 A P T 3 S- 0 0 34 0, 0.0 -1,-0.4 0, 0.0 2,-0.2 -0.389 140.2 -31.0 -86.1 53.2 56.6 43.0 19.3 29 29 A G <> - 0 0 2 -3,-1.0 4,-2.2 1,-0.1 -3,-0.3 -0.706 62.7 -98.4 149.4 161.1 57.1 43.8 23.0 30 30 A I H > S+ 0 0 38 -2,-0.2 4,-1.8 44,-0.2 -4,-0.2 0.999 121.7 45.8 -70.4 -61.6 55.4 42.8 26.2 31 31 A E H > S+ 0 0 116 1,-0.2 4,-1.9 2,-0.2 3,-0.2 0.883 114.5 51.0 -42.1 -54.1 53.3 46.0 26.6 32 32 A Q H > S+ 0 0 63 1,-0.2 4,-2.7 2,-0.2 3,-0.2 0.921 106.4 53.4 -50.5 -56.9 52.3 45.7 22.9 33 33 A S H X S+ 0 0 2 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.846 105.9 51.6 -52.9 -43.8 51.2 42.1 23.2 34 34 A L H X S+ 0 0 31 -4,-1.8 4,-2.2 -3,-0.2 -1,-0.2 0.936 112.5 46.4 -64.7 -41.3 48.8 42.8 26.0 35 35 A K H X S+ 0 0 115 -4,-1.9 4,-2.3 -3,-0.2 -2,-0.2 0.908 111.8 52.5 -62.8 -40.1 47.1 45.6 24.1 36 36 A I H X S+ 0 0 4 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.917 110.9 46.2 -63.4 -41.7 47.0 43.4 21.0 37 37 A I H X S+ 0 0 2 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.894 110.3 52.2 -72.0 -37.5 45.3 40.5 22.9 38 38 A D H X S+ 0 0 48 -4,-2.2 4,-2.2 -5,-0.2 5,-0.2 0.921 112.1 47.9 -66.2 -34.4 42.8 42.9 24.5 39 39 A T H X S+ 0 0 8 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.934 110.1 51.1 -68.6 -39.7 42.0 44.2 21.0 40 40 A L H X>S+ 0 0 0 -4,-2.3 5,-2.4 1,-0.2 4,-0.5 0.938 113.1 47.4 -60.8 -44.7 41.6 40.6 19.5 41 41 A I H ><5S+ 0 0 28 -4,-2.2 3,-1.4 3,-0.2 -2,-0.2 0.930 113.5 43.4 -58.1 -56.0 39.2 39.7 22.3 42 42 A D H 3<5S+ 0 0 101 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.814 108.1 61.6 -70.3 -25.6 37.0 42.8 22.1 43 43 A A H 3<5S- 0 0 13 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.682 135.0 -82.4 -69.5 -19.3 37.0 42.5 18.3 44 44 A G T <<5 + 0 0 23 -3,-1.4 -3,-0.2 -4,-0.5 -25,-0.2 0.396 68.8 159.7 137.9 -7.5 35.3 39.1 18.7 45 45 A A < - 0 0 9 -5,-2.4 -1,-0.2 -6,-0.2 -25,-0.2 -0.204 21.8-164.8 -44.2 116.4 38.0 36.4 19.4 46 46 A D S S- 0 0 19 -27,-2.2 2,-0.3 1,-0.2 -26,-0.2 0.777 71.4 -2.4 -79.6 -29.0 36.2 33.4 21.0 47 47 A A S S- 0 0 2 -28,-0.7 2,-0.4 48,-0.2 50,-0.2 -0.919 72.7-125.0-149.0 169.9 39.4 31.7 22.3 48 48 A L E - f 0 97B 0 48,-1.9 50,-1.9 -2,-0.3 2,-0.5 -0.952 9.4-165.0-125.1 146.8 43.1 32.5 22.2 49 49 A E E -ef 22 98B 2 -28,-1.7 -26,-1.0 -2,-0.4 2,-0.3 -0.997 22.2-170.6-124.3 118.5 46.0 30.4 21.0 50 50 A L E -ef 23 99B 0 48,-2.2 50,-2.5 -2,-0.5 2,-0.4 -0.876 13.8-141.2-111.2 149.7 49.3 31.9 22.2 51 51 A G E -ef 24 100B 4 -28,-2.0 -26,-2.9 -2,-0.3 50,-0.1 -0.899 6.8-148.5-108.0 142.3 52.8 31.1 21.4 52 52 A V - 0 0 17 48,-1.0 2,-0.2 -2,-0.4 -26,-0.1 -0.899 35.4-101.2 -98.0 134.3 55.6 31.0 23.8 53 53 A P + 0 0 5 0, 0.0 2,-0.3 0, 0.0 28,-0.1 -0.377 49.3 169.7 -56.0 120.7 59.1 32.0 22.4 54 54 A F - 0 0 1 -2,-0.2 495,-0.1 1,-0.2 18,-0.1 -0.963 38.2-115.1-131.9 153.5 61.3 29.0 21.7 55 55 A S S S+ 0 0 14 -2,-0.3 -1,-0.2 1,-0.2 494,-0.1 0.966 94.9 12.8 -52.0 -87.7 64.7 28.6 19.9 56 56 A D - 0 0 0 362,-0.0 2,-1.7 1,-0.0 -1,-0.2 -0.872 66.3-153.6-107.0 114.9 64.1 26.3 16.8 57 57 A P > - 0 0 4 0, 0.0 3,-2.5 0, 0.0 8,-0.1 -0.561 13.8-179.8 -80.3 82.3 60.5 25.7 15.9 58 58 A L T 3 S+ 0 0 11 -2,-1.7 44,-0.0 1,-0.3 477,-0.0 0.641 85.6 44.9 -54.7 -19.2 60.7 22.3 14.1 59 59 A A T 3 S+ 0 0 36 -3,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.065 103.9 78.6-112.1 20.4 56.9 22.6 13.6 60 60 A D < - 0 0 32 -3,-2.5 371,-0.1 2,-0.0 0, 0.0 -0.971 68.4-122.1-137.5 152.5 56.6 26.2 12.5 61 61 A G >> - 0 0 22 -2,-0.3 4,-2.2 1,-0.0 3,-0.8 -0.375 41.7 -87.7 -88.5 172.7 57.0 28.3 9.4 62 62 A P H 3> S+ 0 0 73 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.712 119.8 56.3 -55.7 -35.7 59.3 31.4 8.7 63 63 A T H 3> S+ 0 0 34 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.935 113.3 39.2 -60.5 -53.0 56.8 34.1 9.9 64 64 A I H <> S+ 0 0 18 -3,-0.8 4,-2.7 1,-0.2 5,-0.2 0.936 112.4 61.2 -66.2 -40.2 56.3 32.6 13.4 65 65 A Q H X S+ 0 0 25 -4,-2.2 4,-1.1 1,-0.3 -2,-0.2 0.884 112.6 34.2 -56.4 -45.0 60.1 31.8 13.4 66 66 A N H X S+ 0 0 69 -4,-2.5 4,-2.0 2,-0.2 -1,-0.3 0.703 110.9 64.7 -87.3 -10.4 61.1 35.4 13.1 67 67 A A H X S+ 0 0 0 -4,-1.6 4,-2.0 -5,-0.2 -2,-0.2 0.934 102.4 49.9 -66.7 -41.2 58.1 36.4 15.3 68 68 A N H X S+ 0 0 5 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.892 107.9 53.7 -59.7 -42.4 59.8 34.5 18.1 69 69 A L H X S+ 0 0 69 -4,-1.1 4,-2.7 -5,-0.2 -1,-0.2 0.903 105.4 53.1 -63.6 -39.6 63.0 36.4 17.3 70 70 A R H X S+ 0 0 49 -4,-2.0 4,-0.7 1,-0.2 -2,-0.2 0.896 112.3 44.8 -59.9 -41.9 61.1 39.7 17.7 71 71 A A H <>S+ 0 0 0 -4,-2.0 5,-1.0 2,-0.2 4,-0.5 0.899 110.9 54.0 -70.8 -36.1 59.8 38.6 21.1 72 72 A F H ><5S+ 0 0 64 -4,-2.6 3,-2.3 1,-0.2 4,-0.4 0.974 107.3 50.8 -59.3 -50.4 63.4 37.4 22.1 73 73 A A H 3<5S+ 0 0 91 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.732 100.9 64.7 -60.3 -20.1 64.8 40.8 21.3 74 74 A A T 3<5S- 0 0 46 -4,-0.7 -1,-0.3 -3,-0.4 -44,-0.2 0.680 117.2-112.7 -76.1 -15.6 62.1 42.3 23.5 75 75 A G T < 5 + 0 0 39 -3,-2.3 2,-0.4 -4,-0.5 -3,-0.2 0.938 59.5 161.1 78.6 47.9 63.6 40.6 26.5 76 76 A V < - 0 0 10 -5,-1.0 -1,-0.3 -4,-0.4 -2,-0.0 -0.844 13.2-178.9 -95.6 137.3 60.7 38.3 27.0 77 77 A T > - 0 0 50 -2,-0.4 4,-1.6 1,-0.1 3,-0.0 -0.884 45.3 -97.8-124.4 167.4 61.5 35.2 29.1 78 78 A P H > S+ 0 0 42 0, 0.0 4,-2.0 0, 0.0 3,-0.2 0.891 125.4 55.3 -38.1 -49.1 59.4 32.2 30.3 79 79 A A H > S+ 0 0 47 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.934 106.1 48.5 -60.4 -46.2 58.9 34.0 33.5 80 80 A Q H > S+ 0 0 60 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.784 107.8 58.1 -68.0 -20.8 57.5 37.1 31.8 81 81 A C H X S+ 0 0 4 -4,-1.6 4,-2.9 -3,-0.2 -2,-0.2 0.942 106.5 45.3 -73.2 -45.6 55.2 34.8 29.8 82 82 A F H X S+ 0 0 23 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.892 112.4 52.9 -64.7 -35.1 53.5 33.3 32.9 83 83 A E H X S+ 0 0 119 -4,-2.0 4,-1.6 -5,-0.2 -1,-0.2 0.948 111.6 46.3 -62.6 -45.9 53.2 36.8 34.4 84 84 A M H X S+ 0 0 9 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.949 110.2 52.3 -60.5 -50.0 51.5 37.9 31.1 85 85 A L H X S+ 0 0 3 -4,-2.9 4,-2.3 1,-0.2 5,-0.2 0.914 107.3 53.9 -55.5 -43.0 49.2 34.9 31.0 86 86 A A H X S+ 0 0 35 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.912 111.0 43.3 -60.5 -43.8 48.0 35.5 34.6 87 87 A L H X S+ 0 0 81 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.897 110.6 55.6 -72.5 -32.9 47.0 39.2 34.0 88 88 A I H X S+ 0 0 2 -4,-2.4 4,-0.6 1,-0.2 -2,-0.2 0.940 111.5 46.1 -59.4 -41.1 45.3 38.2 30.7 89 89 A R H >< S+ 0 0 26 -4,-2.3 3,-0.5 -5,-0.2 -2,-0.2 0.874 108.2 58.1 -70.6 -30.2 43.3 35.7 32.8 90 90 A E H 3< S+ 0 0 161 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.833 111.2 38.6 -70.6 -34.9 42.7 38.5 35.4 91 91 A K H 3< S+ 0 0 109 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.559 126.1 40.2 -89.4 -6.5 41.0 40.8 33.0 92 92 A H << + 0 0 37 -4,-0.6 -1,-0.2 -3,-0.5 3,-0.1 -0.659 57.0 168.6-148.1 92.0 39.2 37.9 31.3 93 93 A P S S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.700 76.9 44.1 -77.2 -30.0 37.7 35.0 33.4 94 94 A T S S+ 0 0 117 2,-0.1 -87,-0.1 -88,-0.0 -88,-0.1 0.736 84.0 95.9 -91.1 -31.2 35.7 33.2 30.7 95 95 A I S S- 0 0 17 -6,-0.1 -48,-0.2 -3,-0.1 2,-0.1 -0.449 74.2-119.3 -69.4 131.3 37.7 33.0 27.5 96 96 A P - 0 0 1 0, 0.0 -48,-1.9 0, 0.0 2,-0.4 -0.484 25.7-162.9 -69.9 140.4 39.7 29.8 26.8 97 97 A I E +f 48 0B 2 25,-0.3 27,-2.5 -50,-0.2 28,-1.1 -0.999 10.2 179.2-123.3 123.6 43.5 30.3 26.6 98 98 A G E -fg 49 125B 0 -50,-1.9 -48,-2.2 -2,-0.4 2,-0.4 -0.832 15.2-140.5-118.0 163.6 45.6 27.5 25.0 99 99 A L E -fg 50 126B 2 26,-1.1 28,-3.3 -2,-0.3 2,-0.5 -0.963 6.1-142.4-132.6 138.9 49.4 27.4 24.4 100 100 A L E +fg 51 127B 17 -50,-2.5 -48,-1.0 -2,-0.4 2,-0.3 -0.849 39.0 172.2 -93.8 138.8 51.5 26.2 21.6 101 101 A M E - g 0 128B 8 26,-2.4 28,-1.7 -2,-0.5 2,-0.4 -0.919 34.1-132.9-145.2 163.3 54.6 24.7 23.1 102 102 A Y >> - 0 0 8 -2,-0.3 4,-0.9 26,-0.2 3,-0.8 -0.991 31.8-119.1-121.0 139.3 57.8 22.7 22.3 103 103 A A H 3> S+ 0 0 0 -2,-0.4 4,-2.3 1,-0.2 5,-0.2 0.648 106.9 63.6 -49.5 -25.1 58.7 19.7 24.5 104 104 A N H 3> S+ 0 0 1 430,-0.3 4,-2.9 1,-0.2 -1,-0.2 0.988 104.3 47.6 -70.3 -47.6 62.0 21.1 25.7 105 105 A L H <4 S+ 0 0 16 -3,-0.8 4,-0.4 2,-0.2 -1,-0.2 0.766 114.7 46.4 -61.2 -27.1 60.3 24.0 27.5 106 106 A V H >< S+ 0 0 0 -4,-0.9 3,-1.0 2,-0.1 4,-0.3 0.964 118.4 41.2 -72.6 -59.0 57.7 21.7 29.1 107 107 A F H >< S+ 0 0 52 -4,-2.3 3,-2.3 1,-0.2 -2,-0.2 0.832 95.3 82.6 -55.7 -38.5 60.4 19.1 30.2 108 108 A N T 3< S+ 0 0 20 -4,-2.9 -1,-0.2 1,-0.3 440,-0.1 0.730 106.6 24.2 -44.3 -37.9 63.0 21.8 31.4 109 109 A N T < S- 0 0 116 -3,-1.0 -1,-0.3 -4,-0.4 4,-0.2 0.278 134.7 -72.3-114.5 17.8 61.4 22.3 34.8 110 110 A G <> - 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m 0 626D 4 298,-0.2 2,-0.6 -5,-0.2 300,-0.2 -0.685 53.0-154.9 -78.4 135.9 102.2 2.6 24.3 328 72 B T E - m 0 627D 27 298,-2.3 300,-2.6 -2,-0.3 2,-0.4 -0.959 13.5-161.4-113.7 107.3 101.5 1.1 20.9 329 73 B L E - m 0 628D 0 -2,-0.6 -11,-2.6 -11,-0.2 2,-0.3 -0.780 10.9-179.8 -86.5 130.8 99.5 3.5 18.7 330 74 B Y E -Lm 317 629D 6 298,-0.7 300,-2.6 -2,-0.4 2,-0.4 -0.935 14.7-149.3-117.4 149.2 97.6 2.2 15.6 331 75 B L E -Lm 316 630D 0 -15,-1.7 -15,-1.8 -2,-0.3 2,-0.6 -0.988 8.7-141.8-119.3 133.6 95.5 4.6 13.4 332 76 B K E -Lm 315 631D 0 298,-2.1 300,-1.9 -2,-0.4 2,-1.1 -0.878 26.8-137.6 -88.7 124.5 92.4 3.5 11.5 333 77 B R E > + m 0 632D 35 -19,-3.3 3,-2.3 -2,-0.6 -19,-0.4 -0.347 52.3 143.2 -97.8 62.8 92.8 5.4 8.3 334 78 B E G > + 0 0 0 298,-1.2 3,-0.6 -2,-1.1 7,-0.3 0.475 68.0 76.5 -72.3 -2.9 89.4 6.8 7.4 335 79 B D G 3 S+ 0 0 10 297,-0.3 -1,-0.3 299,-0.2 300,-0.2 0.490 89.7 57.5 -79.9 -8.3 91.4 9.8 6.2 336 80 B L G < S+ 0 0 89 -3,-2.3 2,-0.3 -22,-0.1 -1,-0.2 -0.233 83.9 112.1-109.9 31.6 92.3 7.6 3.1 337 81 B L S X S- 0 0 5 -3,-0.6 3,-3.5 -24,-0.1 2,-0.5 -0.814 89.7 -89.1-101.3 151.0 88.6 7.1 2.2 338 82 B H T 3 S+ 0 0 77 -29,-1.9 6,-0.1 -2,-0.3 3,-0.1 -0.511 127.3 30.4 -62.4 116.4 87.2 8.7 -0.9 339 83 B G T 3 S- 0 0 20 -2,-0.5 -1,-0.3 -4,-0.1 4,-0.1 0.115 111.4-114.0 112.5 -13.5 86.2 12.0 0.5 340 84 B G S < S+ 0 0 0 -3,-3.5 295,-1.9 294,-0.1 2,-0.2 0.887 93.9 76.0 48.0 47.6 89.1 12.0 3.1 341 85 B A B > S-Q 634 0E 3 -7,-0.3 3,-1.5 293,-0.3 293,-0.3 -0.594 90.5-115.8 176.7 122.3 86.5 11.7 6.0 342 86 B H T >> S+ 0 0 11 291,-2.0 3,-0.9 1,-0.3 4,-0.6 0.473 94.6 96.5 -42.8 -17.5 84.4 8.7 7.2 343 87 B K H >> S+ 0 0 42 290,-0.3 4,-2.1 1,-0.2 3,-0.5 0.871 72.2 71.9 -42.8 -37.8 81.1 10.6 6.2 344 88 B T H <> S+ 0 0 2 -3,-1.5 4,-2.0 1,-0.2 5,-0.3 0.888 86.0 58.9 -53.2 -48.2 81.3 8.6 2.9 345 89 B N H <> S+ 0 0 0 -3,-0.9 4,-1.4 1,-0.2 -1,-0.2 0.870 112.5 37.0 -66.4 -27.5 80.3 5.1 4.3 346 90 B Q H X S+ 0 0 1 -4,-2.0 4,-2.5 1,-0.2 3,-0.8 0.995 113.2 49.7 -62.2 -52.8 76.5 5.7 0.2 349 93 B G H 3X S+ 0 0 0 -4,-1.4 4,-0.8 1,-0.3 -1,-0.2 0.707 111.7 46.8 -60.3 -28.3 74.4 3.4 2.2 350 94 B Q H 3X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.3 0.741 110.0 51.1 -83.9 -30.7 71.5 5.8 2.7 351 95 B A H <>S+ 0 0 0 -4,-2.2 5,-2.4 2,-0.2 3,-0.7 0.941 112.0 49.3 -51.9 -45.1 66.5 6.1 -1.0 355 99 B K H ><5S+ 0 0 89 -4,-2.6 3,-2.2 1,-0.3 -2,-0.2 0.954 109.7 50.6 -55.8 -56.2 67.0 4.3 -4.4 356 100 B R H 3<5S+ 0 0 78 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.663 110.0 52.1 -59.7 -13.5 65.5 1.1 -2.9 357 101 B M T <<5S- 0 0 37 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.550 116.4-114.2 -99.2 -5.3 62.6 3.2 -1.6 358 102 B G T < 5 + 0 0 66 -3,-2.2 -3,-0.2 -4,-0.5 2,-0.2 0.542 65.7 148.7 84.8 7.1 61.9 4.7 -5.1 359 103 B K < - 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0 0 17 -5,-1.2 2,-0.3 -6,-0.0 -23,-0.2 -0.921 54.9-113.6-123.0 144.8 69.4 11.7 -7.4 385 129 B K E -r 361 0F 115 -25,-2.8 -23,-2.2 -2,-0.3 2,-0.4 -0.653 39.3-160.5 -78.7 144.6 68.4 15.4 -7.3 386 130 B C E -r 362 0F 12 23,-0.4 25,-2.9 -2,-0.3 2,-0.5 -0.968 19.0-177.7-137.5 119.7 70.2 17.0 -4.2 387 131 B R E -rt 363 411F 26 -25,-2.3 -23,-1.1 -2,-0.4 2,-0.4 -0.965 10.8-161.7-115.2 128.9 69.5 20.1 -2.3 388 132 B I E -rt 364 412F 0 23,-3.1 25,-2.8 -2,-0.5 2,-0.5 -0.915 6.3-152.0-105.7 137.1 71.8 21.1 0.6 389 133 B Y E +rt 365 413F 21 -25,-2.1 -23,-2.0 -2,-0.4 2,-0.4 -0.950 23.9 172.5-107.5 128.8 70.6 23.6 3.2 390 134 B M E -rt 366 414F 0 23,-2.4 25,-2.9 -2,-0.5 2,-0.2 -0.997 34.1-109.6-142.3 142.1 73.5 25.5 4.7 391 135 B G E > - t 0 415F 0 -25,-1.1 4,-3.0 -2,-0.4 25,-0.2 -0.565 24.4-126.4 -77.1 141.2 73.6 28.5 7.0 392 136 B A H > S+ 0 0 28 23,-3.8 4,-2.8 2,-0.3 5,-0.2 0.823 112.0 52.5 -54.2 -41.2 74.8 31.8 5.6 393 137 B K H > S+ 0 0 88 27,-0.7 4,-2.5 1,-0.2 5,-0.3 0.984 115.7 42.1 -56.7 -51.7 77.4 32.2 8.3 394 138 B D H > S+ 0 0 31 26,-0.8 4,-2.9 1,-0.2 -2,-0.3 0.899 112.2 53.5 -63.0 -42.2 78.6 28.8 7.4 395 139 B V H < S+ 0 0 32 -4,-3.0 7,-0.2 2,-0.2 -1,-0.2 0.919 110.7 47.1 -62.2 -42.5 78.3 29.4 3.6 396 140 B E H >< S+ 0 0 118 -4,-2.8 3,-1.0 1,-0.2 -1,-0.2 0.954 117.3 42.1 -63.7 -52.2 80.4 32.5 3.8 397 141 B R H 3< S+ 0 0 148 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.845 115.0 53.2 -62.2 -36.9 83.1 30.9 5.9 398 142 B Q T >X + 0 0 44 -4,-2.9 4,-1.9 -5,-0.3 3,-1.3 0.082 62.0 139.3-100.0 38.8 82.9 27.7 3.8 399 143 B S H <> + 0 0 67 -3,-1.0 4,-1.8 1,-0.3 3,-0.4 0.825 69.9 55.5 -45.1 -51.0 83.5 29.0 0.4 400 144 B P H 3> S+ 0 0 74 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.851 111.9 44.3 -59.6 -31.4 85.8 26.1 -0.8 401 145 B N H <> S+ 0 0 19 -3,-1.3 4,-1.6 -33,-0.2 -2,-0.2 0.827 107.0 58.2 -83.6 -28.1 83.2 23.5 0.1 402 146 B V H X S+ 0 0 27 -4,-1.9 4,-2.8 -3,-0.4 3,-0.4 0.973 108.2 47.3 -60.6 -51.8 80.3 25.5 -1.5 403 147 B F H X S+ 0 0 145 -4,-1.8 4,-2.9 1,-0.2 5,-0.2 0.947 108.8 53.5 -54.0 -54.9 82.1 25.4 -4.8 404 148 B R H X S+ 0 0 119 -4,-1.6 4,-1.2 1,-0.2 -1,-0.2 0.810 113.5 44.7 -53.6 -31.1 82.9 21.7 -4.5 405 149 B M H <>S+ 0 0 0 -4,-1.6 5,-1.8 -3,-0.4 -1,-0.2 0.952 112.8 47.7 -75.7 -53.1 79.2 21.0 -3.9 406 150 B R H ><5S+ 0 0 129 -4,-2.8 3,-2.2 1,-0.2 -2,-0.2 0.908 108.6 58.4 -48.6 -47.6 77.8 23.2 -6.7 407 151 B L H 3<5S+ 0 0 118 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.915 102.0 52.1 -49.7 -53.3 80.3 21.7 -9.0 408 152 B M T 3<5S- 0 0 66 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.333 127.5 -98.4 -76.8 9.3 78.9 18.2 -8.4 409 153 B G T < 5S+ 0 0 65 -3,-2.2 -23,-0.4 1,-0.3 2,-0.3 0.551 72.2 147.5 92.3 9.2 75.5 19.5 -9.3 410 154 B A < - 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