==== 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 LYASE 12-FEB-98 1A5A . COMPND 2 MOLECULE: TRYPTOPHAN SYNTHASE (ALPHA CHAIN); . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR S.RHEE,E.W.MILES,D.R.DAVIES . 644 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23691.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 517 80.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 75 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 3.9 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 . 53 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 251 39.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 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 3 1 0 3 1 2 4 1 3 2 4 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 3 3 2 1 2 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 . 6 1 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 3 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 57 0, 0.0 3,-1.8 0, 0.0 4,-0.7 0.000 360.0 360.0 360.0 -91.3 39.3 22.3 30.2 2 2 A E H 3> + 0 0 100 1,-0.3 4,-2.3 2,-0.2 5,-0.3 0.707 360.0 69.7 -44.9 -40.1 35.7 23.4 31.0 3 3 A R H 3> S+ 0 0 79 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.841 99.9 51.5 -53.7 -33.2 35.7 26.8 29.3 4 4 A Y H <> S+ 0 0 2 -3,-1.8 4,-3.0 2,-0.2 5,-0.3 0.938 106.4 52.5 -69.1 -47.1 35.8 25.0 25.9 5 5 A E H X S+ 0 0 112 -4,-0.7 4,-1.6 1,-0.3 -2,-0.2 0.951 113.2 44.6 -53.4 -50.9 32.8 22.8 26.8 6 6 A N H X S+ 0 0 82 -4,-2.3 4,-2.2 1,-0.2 -1,-0.3 0.797 112.7 52.7 -65.0 -32.1 30.8 25.9 27.7 7 7 A L H X S+ 0 0 23 -4,-1.6 4,-2.6 -5,-0.3 -2,-0.2 0.968 110.2 45.1 -69.4 -51.8 32.0 27.8 24.6 8 8 A F H X S+ 0 0 27 -4,-3.0 4,-1.7 1,-0.2 -2,-0.2 0.778 113.5 52.5 -64.0 -25.9 31.1 25.1 22.1 9 9 A A H X S+ 0 0 46 -4,-1.6 4,-2.1 -5,-0.3 -1,-0.2 0.958 110.6 45.2 -73.5 -49.2 27.7 24.7 23.8 10 10 A Q H X S+ 0 0 88 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.863 112.5 53.8 -61.8 -34.2 27.0 28.4 23.6 11 11 A L H <>S+ 0 0 3 -4,-2.6 5,-2.7 1,-0.2 -1,-0.2 0.914 107.9 48.7 -66.4 -42.2 28.1 28.3 20.0 12 12 A N H ><5S+ 0 0 113 -4,-1.7 3,-0.6 3,-0.2 -2,-0.2 0.849 108.8 52.8 -66.8 -35.8 25.7 25.5 19.1 13 13 A D H 3<5S+ 0 0 119 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.869 113.7 43.6 -66.9 -36.0 22.8 27.3 20.8 14 14 A R T 3<5S- 0 0 94 -4,-1.7 -1,-0.3 -5,-0.2 242,-0.2 0.445 111.3-131.7 -84.7 -2.1 23.7 30.3 18.6 15 15 A R T < 5 + 0 0 199 -3,-0.6 241,-0.5 1,-0.2 2,-0.2 0.807 65.5 120.1 52.8 38.9 24.1 27.8 15.8 16 16 A E < - 0 0 34 -5,-2.7 239,-0.2 239,-0.2 2,-0.2 -0.768 60.5-114.9-126.7 167.4 27.5 29.3 14.8 17 17 A G - 0 0 1 237,-2.2 201,-0.3 -2,-0.2 2,-0.3 -0.601 31.8-104.9 -99.3 166.7 31.1 28.2 14.6 18 18 A A E -a 218 0A 0 199,-2.3 201,-2.7 -2,-0.2 2,-0.5 -0.658 20.8-154.0 -93.0 141.6 34.1 29.3 16.6 19 19 A F E -a 219 0A 0 -2,-0.3 27,-2.0 25,-0.2 28,-0.8 -0.976 14.8-175.3-115.7 116.0 36.7 31.6 15.2 20 20 A V E -a 220 0A 1 199,-3.0 201,-2.1 -2,-0.5 2,-0.2 -0.922 6.1-161.4-115.7 108.7 40.1 31.1 16.9 21 21 A P E -a 221 0A 1 0, 0.0 28,-2.1 0, 0.0 2,-0.4 -0.580 9.1-141.6 -88.0 154.2 43.0 33.5 16.1 22 22 A F E +e 49 0B 10 199,-2.1 2,-0.3 200,-0.4 28,-0.2 -0.887 24.9 165.3-112.1 146.5 46.7 32.6 16.8 23 23 A V E -e 50 0B 0 26,-1.9 28,-2.2 -2,-0.4 2,-0.5 -0.984 36.5-110.1-156.7 151.1 49.3 35.1 18.0 24 24 A T E > -e 51 0B 1 -2,-0.3 3,-2.0 26,-0.2 2,-0.3 -0.781 35.8-116.5 -90.6 127.7 52.8 35.0 19.5 25 25 A L T 3 S+ 0 0 0 26,-2.9 5,-0.1 -2,-0.5 56,-0.1 -0.451 100.4 13.4 -61.8 118.4 53.1 36.1 23.1 26 26 A G T 3 S+ 0 0 0 -2,-0.3 -1,-0.3 3,-0.3 4,-0.2 0.518 90.1 167.1 94.2 4.3 55.3 39.2 23.2 27 27 A D S < S- 0 0 0 -3,-2.0 -1,-0.3 1,-0.3 -3,-0.1 -0.880 77.4 -3.9-103.0 124.8 55.2 40.0 19.5 28 28 A P S S- 0 0 34 0, 0.0 -1,-0.3 0, 0.0 2,-0.3 -0.938 141.7 -39.5 -89.7 13.2 56.2 42.6 18.7 29 29 A G > - 0 0 8 1,-0.2 4,-2.9 44,-0.0 -3,-0.3 -0.918 61.1 -91.0 177.5 166.5 56.6 43.4 22.4 30 30 A I H > S+ 0 0 40 -2,-0.3 4,-2.7 44,-0.2 5,-0.2 0.971 122.3 42.4 -59.1 -59.0 54.8 42.8 25.7 31 31 A E H > S+ 0 0 159 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.862 118.6 46.6 -57.2 -41.1 52.7 46.0 25.8 32 32 A Q H > S+ 0 0 44 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.939 111.5 52.1 -66.8 -45.8 51.9 45.6 22.1 33 33 A S H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.918 108.5 49.1 -55.8 -51.5 51.1 42.0 22.5 34 34 A L H X S+ 0 0 29 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.915 112.9 48.1 -57.6 -43.5 48.6 42.5 25.4 35 35 A K H X S+ 0 0 123 -4,-1.6 4,-1.9 -5,-0.2 -1,-0.2 0.887 110.0 52.2 -65.0 -39.7 46.8 45.3 23.4 36 36 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.942 109.5 49.7 -59.9 -49.8 46.6 43.1 20.3 37 37 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.858 109.7 50.0 -59.1 -39.5 45.0 40.2 22.3 38 38 A D H X S+ 0 0 39 -4,-1.8 4,-2.8 1,-0.2 -1,-0.2 0.869 110.0 51.6 -68.9 -35.7 42.5 42.5 23.8 39 39 A T H X S+ 0 0 8 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.877 108.9 50.7 -66.7 -37.8 41.7 43.8 20.3 40 40 A L H X>S+ 0 0 0 -4,-2.2 5,-2.2 2,-0.2 4,-0.8 0.916 114.3 43.4 -65.3 -45.2 41.2 40.2 19.1 41 41 A I H ><5S+ 0 0 28 -4,-2.3 3,-0.6 2,-0.2 -2,-0.2 0.898 115.1 49.7 -66.2 -41.1 38.8 39.5 22.0 42 42 A D H 3<5S+ 0 0 109 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.886 106.4 57.4 -64.4 -39.2 37.1 42.8 21.5 43 43 A A H 3<5S- 0 0 13 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.684 129.3 -90.2 -65.9 -24.1 36.8 42.0 17.8 44 44 A G T <<5 + 0 0 22 -4,-0.8 -25,-0.2 -3,-0.6 -3,-0.2 0.535 64.5 160.8 126.0 8.1 34.9 38.8 18.5 45 45 A A < - 0 0 7 -5,-2.2 -1,-0.2 1,-0.1 -25,-0.2 -0.413 27.6-155.2 -61.6 132.2 37.4 36.0 18.8 46 46 A D S S- 0 0 17 -27,-2.0 2,-0.3 -2,-0.1 -26,-0.2 0.697 72.9 -5.3 -83.8 -21.2 35.8 33.0 20.6 47 47 A A S S- 0 0 1 -28,-0.8 2,-0.3 48,-0.2 50,-0.2 -0.905 70.2-126.7-156.8 179.0 39.1 31.6 21.9 48 48 A L E - f 0 97B 1 48,-1.7 50,-2.7 -2,-0.3 2,-0.5 -0.988 2.6-155.0-142.1 143.8 42.8 32.2 21.5 49 49 A E E -ef 22 98B 4 -28,-2.1 -26,-1.9 -2,-0.3 2,-0.4 -0.982 23.7-166.4-119.5 110.1 45.8 30.1 20.6 50 50 A L E -ef 23 99B 0 48,-3.2 50,-3.0 -2,-0.5 2,-0.4 -0.878 7.2-149.3-104.5 133.5 48.9 31.7 22.1 51 51 A G E -ef 24 100B 5 -28,-2.2 -26,-2.9 -2,-0.4 50,-0.2 -0.809 4.7-146.6-104.1 139.1 52.5 30.8 21.2 52 52 A V - 0 0 8 48,-1.4 50,-0.1 -2,-0.4 53,-0.1 -0.915 32.7-106.9-104.7 121.2 55.5 30.9 23.5 53 53 A P - 0 0 2 0, 0.0 2,-0.3 0, 0.0 28,-0.1 -0.177 42.8-177.0 -49.5 124.3 58.8 31.9 21.9 54 54 A F - 0 0 2 23,-0.1 494,-0.1 1,-0.1 18,-0.1 -0.949 43.4 -93.6-127.8 148.3 61.2 29.0 21.5 55 55 A S S S- 0 0 21 -2,-0.3 493,-0.1 1,-0.2 -1,-0.1 0.716 110.8 -14.4 -19.4 -59.4 64.8 28.7 20.2 56 56 A D S S- 0 0 4 361,-0.1 2,-2.0 366,-0.0 -1,-0.2 -0.864 77.3-113.8-157.4 114.8 63.6 27.9 16.8 57 57 A P > - 0 0 2 0, 0.0 3,-3.1 0, 0.0 8,-0.1 -0.372 31.5-160.7 -56.3 84.7 59.9 26.8 16.2 58 58 A L T 3 S+ 0 0 12 -2,-2.0 371,-0.1 1,-0.3 372,-0.0 0.650 87.8 29.1 -41.3 -26.9 60.9 23.3 15.2 59 59 A A T 3 S+ 0 0 35 2,-0.1 2,-0.4 213,-0.1 -1,-0.3 -0.061 102.8 100.7-129.3 29.4 57.6 22.8 13.4 60 60 A N < - 0 0 32 -3,-3.1 370,-0.1 1,-0.0 0, 0.0 -0.932 63.2-124.1-122.8 148.1 56.7 26.4 12.4 61 61 A G > - 0 0 21 -2,-0.4 4,-2.3 1,-0.1 3,-0.3 -0.117 41.2 -86.5 -75.3 179.4 57.0 28.3 9.1 62 62 A P H > S+ 0 0 54 0, 0.0 4,-3.4 0, 0.0 5,-0.3 0.855 122.3 59.8 -54.8 -45.1 58.8 31.5 8.4 63 63 A T H > S+ 0 0 38 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.936 112.4 39.3 -52.5 -49.5 55.9 33.8 9.4 64 64 A I H > S+ 0 0 18 -3,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.908 113.2 55.9 -68.4 -42.0 56.0 32.4 12.9 65 65 A Q H X S+ 0 0 2 -4,-2.3 4,-2.1 1,-0.3 -2,-0.2 0.936 108.6 47.8 -55.2 -47.0 59.8 32.2 12.9 66 66 A N H X S+ 0 0 66 -4,-3.4 4,-1.6 1,-0.2 -1,-0.3 0.815 110.1 52.8 -65.1 -31.5 59.9 36.0 12.2 67 67 A A H X S+ 0 0 0 -4,-1.4 4,-2.0 -5,-0.3 -1,-0.2 0.901 108.0 50.9 -70.5 -40.3 57.4 36.6 14.9 68 68 A N H X S+ 0 0 8 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.883 106.2 55.6 -63.5 -38.8 59.5 34.7 17.4 69 69 A L H X S+ 0 0 67 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.918 107.6 48.2 -60.4 -44.0 62.5 36.8 16.3 70 70 A R H X S+ 0 0 39 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.895 112.3 49.9 -64.3 -37.4 60.6 40.0 17.2 71 71 A A H <>S+ 0 0 0 -4,-2.0 5,-2.0 1,-0.2 -2,-0.2 0.903 111.9 47.9 -67.2 -41.9 59.6 38.4 20.5 72 72 A F H ><5S+ 0 0 67 -4,-2.9 3,-1.8 3,-0.2 -2,-0.2 0.900 109.5 51.2 -64.8 -45.5 63.2 37.4 21.3 73 73 A A H 3<5S+ 0 0 92 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.863 107.0 55.6 -59.6 -36.5 64.6 40.9 20.4 74 74 A A T 3<5S- 0 0 48 -4,-1.6 -1,-0.3 -5,-0.2 -44,-0.2 0.400 119.9-115.8 -76.8 2.2 62.0 42.3 22.7 75 75 A G T < 5 + 0 0 41 -3,-1.8 2,-0.6 1,-0.2 -3,-0.2 0.916 52.3 169.3 63.7 45.0 63.5 40.1 25.4 76 76 A V < - 0 0 6 -5,-2.0 -1,-0.2 -50,-0.1 -2,-0.1 -0.818 9.4-174.7 -91.9 122.6 60.4 37.9 25.9 77 77 A T >> - 0 0 48 -2,-0.6 4,-1.8 1,-0.1 3,-0.5 -0.752 40.4-107.5-113.1 160.9 61.0 34.9 28.0 78 78 A P H 3> S+ 0 0 22 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.825 122.5 56.8 -57.0 -29.7 58.6 32.0 28.9 79 79 A A H 3> S+ 0 0 51 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.884 105.8 50.2 -67.4 -38.4 58.3 33.4 32.4 80 80 A Q H <> S+ 0 0 46 -3,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.848 105.9 57.6 -65.9 -36.6 57.2 36.7 30.9 81 81 A C H X S+ 0 0 0 -4,-1.8 4,-3.0 1,-0.2 -2,-0.2 0.932 104.8 49.2 -60.7 -45.6 54.6 34.7 28.9 82 82 A F H X S+ 0 0 16 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.800 109.1 52.9 -65.5 -28.9 53.1 33.3 32.0 83 83 A E H X S+ 0 0 124 -4,-1.2 4,-1.8 2,-0.2 -1,-0.2 0.892 111.9 45.9 -70.3 -41.3 52.9 36.8 33.5 84 84 A M H X S+ 0 0 6 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.932 111.4 52.8 -65.0 -45.1 51.1 37.9 30.4 85 85 A L H X S+ 0 0 1 -4,-3.0 4,-2.7 2,-0.2 -2,-0.2 0.884 106.9 51.4 -57.8 -44.0 48.8 34.9 30.5 86 86 A A H X S+ 0 0 26 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.961 112.6 46.1 -59.7 -50.0 47.8 35.5 34.1 87 87 A L H X S+ 0 0 72 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.870 110.6 52.1 -61.6 -39.2 46.9 39.1 33.2 88 88 A I H >X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 3,-0.8 0.962 112.6 46.3 -63.5 -45.2 45.0 38.1 30.1 89 89 A R H 3< S+ 0 0 21 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.862 106.8 58.4 -62.9 -39.1 43.0 35.7 32.2 90 90 A E H 3< S+ 0 0 156 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.751 113.0 40.0 -60.9 -30.4 42.4 38.3 34.9 91 91 A K H << S+ 0 0 78 -4,-1.2 -2,-0.2 -3,-0.8 -1,-0.2 0.798 122.8 39.4 -87.1 -36.0 40.7 40.5 32.3 92 92 A H < + 0 0 39 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.1 -0.818 61.8 178.4-126.1 98.0 38.8 37.8 30.5 93 93 A P S S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.637 77.7 32.7 -67.9 -26.8 37.3 35.0 32.7 94 94 A T S S+ 0 0 110 2,-0.1 -87,-0.1 -88,-0.0 -88,-0.1 0.720 82.6 106.3-110.5 -22.3 35.5 32.8 30.1 95 95 A I S S- 0 0 21 1,-0.1 -48,-0.2 -6,-0.1 2,-0.2 -0.360 72.8-120.0 -60.7 126.8 37.5 32.9 26.8 96 96 A P - 0 0 0 0, 0.0 -48,-1.7 0, 0.0 2,-0.5 -0.481 26.1-156.8 -70.3 140.6 39.4 29.6 26.3 97 97 A I E -f 48 0B 1 -50,-0.2 27,-2.5 25,-0.2 28,-1.7 -0.975 10.1-174.8-124.1 116.8 43.1 30.0 26.1 98 98 A G E -fg 49 125B 1 -50,-2.7 -48,-3.2 -2,-0.5 2,-0.4 -0.880 13.3-144.8-109.5 144.9 45.2 27.4 24.4 99 99 A L E -fg 50 126B 2 26,-2.2 28,-2.6 -2,-0.4 2,-0.6 -0.884 3.4-147.6-109.3 143.5 49.0 27.4 24.3 100 100 A L E +fg 51 127B 17 -50,-3.0 -48,-1.4 -2,-0.4 2,-0.3 -0.960 36.1 170.1-107.9 113.8 51.1 26.3 21.3 101 101 A M E - g 0 128B 2 26,-3.1 28,-2.5 -2,-0.6 2,-0.4 -0.829 33.7-130.7-125.2 167.0 54.2 24.9 22.9 102 102 A Y >> - 0 0 5 -2,-0.3 4,-1.0 26,-0.2 3,-0.5 -0.879 34.4-112.0-114.0 145.8 57.3 22.9 21.9 103 103 A A H >> S+ 0 0 0 -2,-0.4 4,-3.1 1,-0.2 3,-0.7 0.833 108.9 58.8 -47.2 -46.1 58.3 19.9 24.0 104 104 A N H 3> S+ 0 0 0 429,-0.6 4,-3.2 1,-0.2 -1,-0.2 0.912 104.4 49.3 -55.4 -47.9 61.6 21.3 25.5 105 105 A L H <4 S+ 0 0 14 -3,-0.5 4,-0.4 2,-0.2 -1,-0.2 0.776 116.3 44.1 -64.2 -24.9 59.9 24.3 27.2 106 106 A V H << S+ 0 0 1 -4,-1.0 8,-0.4 -3,-0.7 -2,-0.2 0.873 120.9 39.5 -84.4 -39.4 57.3 21.9 28.7 107 107 A F H >< S+ 0 0 47 -4,-3.1 3,-2.0 -5,-0.2 4,-0.2 0.765 93.0 93.9 -81.2 -23.7 59.8 19.3 29.7 108 108 A N T 3< S+ 0 0 19 -4,-3.2 -1,-0.2 1,-0.3 -3,-0.1 0.791 104.0 11.2 -37.8 -65.3 62.5 21.8 30.8 109 109 A N T 3 S- 0 0 124 -4,-0.4 -1,-0.3 1,-0.3 4,-0.1 0.026 138.5 -51.8-109.6 29.3 61.8 22.1 34.6 110 110 A G <> - 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0 0 16 -5,-3.2 2,-0.6 -6,-0.1 -23,-0.2 -0.836 50.8-126.0-108.9 140.7 69.1 11.5 -7.2 384 129 B K E -s 360 0F 130 -25,-3.1 -23,-2.8 -2,-0.4 2,-0.5 -0.767 35.4-160.9 -83.2 123.5 68.0 15.1 -7.3 385 130 B C E -s 361 0F 11 -2,-0.6 25,-3.0 -25,-0.2 2,-0.4 -0.913 18.5-176.0-118.8 126.0 69.6 16.7 -4.2 386 131 B R E -su 362 410F 37 -25,-2.8 -23,-1.3 -2,-0.5 2,-0.4 -0.961 11.7-163.6-116.0 135.4 68.6 19.9 -2.4 387 132 B I E -su 363 411F 0 23,-3.3 25,-3.6 -2,-0.4 2,-0.5 -0.981 8.9-148.5-124.8 127.9 70.7 21.1 0.5 388 133 B Y E +su 364 412F 28 -25,-2.8 -23,-1.9 -2,-0.4 2,-0.4 -0.791 23.9 170.7 -96.1 129.7 69.7 23.6 3.1 389 134 B M E -su 365 413F 0 23,-2.2 25,-2.8 -2,-0.5 2,-0.2 -0.998 35.5-112.2-140.5 137.1 72.6 25.7 4.6 390 135 B G E >> - u 0 414F 0 -25,-0.7 4,-2.3 -2,-0.4 3,-1.7 -0.507 27.2-123.1 -70.1 136.0 72.5 28.7 6.8 391 136 B A H 3> S+ 0 0 18 23,-2.8 4,-2.1 1,-0.3 5,-0.3 0.855 113.1 56.9 -43.0 -48.0 73.8 31.9 5.2 392 137 B K H 34 S+ 0 0 97 27,-1.2 4,-0.4 1,-0.3 -1,-0.3 0.857 112.9 41.4 -54.8 -36.7 76.4 32.3 7.9 393 138 B D H <> S+ 0 0 26 -3,-1.7 4,-2.4 26,-0.5 -1,-0.3 0.815 111.0 59.3 -80.1 -32.4 77.6 28.9 7.0 394 139 B V H >< S+ 0 0 27 -4,-2.3 3,-0.9 1,-0.2 7,-0.2 0.994 108.2 40.7 -58.3 -67.5 77.3 29.5 3.3 395 140 B E T 3< S+ 0 0 124 -4,-2.1 3,-0.2 1,-0.3 -1,-0.2 0.618 119.8 48.3 -60.0 -14.2 79.6 32.5 3.1 396 141 B R T 34 S+ 0 0 149 -4,-0.4 -1,-0.3 -5,-0.3 -2,-0.2 0.761 112.8 44.0 -96.2 -30.6 82.0 30.8 5.4 397 142 B Q XX + 0 0 54 -4,-2.4 4,-1.7 -3,-0.9 3,-0.5 -0.144 68.4 146.7-108.3 41.7 82.2 27.4 3.8 398 143 B S H 3> + 0 0 67 -3,-0.2 4,-2.4 1,-0.2 5,-0.2 0.765 66.6 58.6 -45.5 -40.1 82.5 28.6 0.2 399 144 B P H 3> S+ 0 0 75 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.976 109.6 42.2 -58.1 -53.2 84.8 25.7 -0.9 400 145 B N H <> S+ 0 0 14 -3,-0.5 4,-2.6 2,-0.2 -2,-0.2 0.797 111.6 56.8 -62.9 -30.4 82.2 23.1 0.1 401 146 B V H X S+ 0 0 11 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.946 110.4 43.2 -67.1 -45.6 79.4 25.2 -1.4 402 147 B F H X S+ 0 0 133 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.923 112.8 55.1 -63.9 -42.0 81.1 25.2 -4.8 403 148 B R H X S+ 0 0 111 -4,-2.5 4,-1.5 -5,-0.2 -2,-0.2 0.915 108.3 47.3 -54.8 -50.8 81.9 21.5 -4.3 404 149 B M H <>S+ 0 0 0 -4,-2.6 5,-1.9 1,-0.2 3,-0.4 0.941 114.1 45.6 -58.8 -50.6 78.2 20.7 -3.8 405 150 B R H ><5S+ 0 0 120 -4,-2.3 3,-2.0 1,-0.2 -1,-0.2 0.865 107.6 59.0 -62.1 -37.9 77.0 22.7 -6.8 406 151 B L H 3<5S+ 0 0 114 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.858 104.3 51.8 -58.9 -34.8 79.8 21.1 -8.9 407 152 B M T 3<5S- 0 0 56 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.166 125.8-103.9 -89.9 20.7 78.2 17.8 -8.0 408 153 B G T < 5S+ 0 0 65 -3,-2.0 -3,-0.2 1,-0.2 -23,-0.2 0.326 73.4 141.6 78.4 -4.3 74.8 19.0 -9.2 409 154 B A < - 0 0 8 -5,-1.9 2,-0.7 -6,-0.2 -1,-0.2 -0.300 51.8-126.6 -70.3 152.9 73.3 19.6 -5.8 410 155 B E E -u 386 0F 115 -25,-3.0 -23,-3.3 2,-0.0 2,-0.6 -0.914 21.4-155.7-103.0 112.0 71.0 22.6 -5.3 411 156 B V E -u 387 0F 7 -2,-0.7 -23,-0.2 -25,-0.2 -25,-0.0 -0.813 6.4-164.7 -93.0 118.4 72.2 24.6 -2.2 412 157 B I E -u 388 0F 36 -25,-3.6 -23,-2.2 -2,-0.6 2,-0.3 -0.909 13.4-139.7-108.5 108.7 69.4 26.6 -0.6 413 158 B P E -u 389 0F 53 0, 0.0 2,-0.3 0, 0.0 -23,-0.2 -0.510 14.7-150.3 -71.1 125.2 70.6 29.4 1.8 414 159 B V E +u 390 0F 8 -25,-2.8 -23,-2.8 -2,-0.3 -22,-0.2 -0.711 21.7 175.4 -97.2 144.9 68.5 29.7 5.0 415 160 B H + 0 0 134 -2,-0.3 2,-0.5 -25,-0.2 -1,-0.1 0.166 27.9 141.3-131.4 13.5 68.1 33.0 6.8 416 161 B S S > S- 0 0 13 7,-0.1 3,-2.3 2,-0.1 4,-0.4 -0.477 82.9 -59.3 -63.4 109.7 65.6 32.0 9.5 417 162 B G T 3 S+ 0 0 27 -2,-0.5 -361,-0.1 1,-0.3 -351,-0.0 -0.268 137.8 18.6 55.7-107.5 66.8 34.0 12.5 418 163 B S T 3 S- 0 0 50 -2,-0.3 -1,-0.3 2,-0.1 -26,-0.2 0.596 92.5-142.1 -70.1 -13.6 70.3 32.8 13.1 419 164 B A < + 0 0 2 -3,-2.3 -27,-1.2 1,-0.2 -26,-0.5 0.955 59.4 110.4 47.0 64.8 70.6 31.4 9.6 420 165 B T S >> S- 0 0 30 -4,-0.4 4,-1.9 -28,-0.1 3,-1.1 -0.857 83.9 -57.9-149.6-174.6 72.6 28.4 10.7 421 166 B L H >> S+ 0 0 48 1,-0.3 4,-3.1 -2,-0.3 3,-1.0 0.854 129.2 45.9 -37.0 -64.9 72.4 24.6 11.1 422 167 B K H 3> S+ 0 0 41 1,-0.3 4,-1.2 2,-0.2 -1,-0.3 0.806 114.7 50.0 -55.2 -30.9 69.4 24.4 13.4 423 168 B D H <> S+ 0 0 1 -3,-1.1 4,-1.3 2,-0.2 -1,-0.3 0.768 112.5 47.5 -79.2 -25.7 67.6 26.9 11.2 424 169 B A H X S+ 0 0 31 -4,-2.3 4,-1.8 -5,-0.2 3,-1.0 0.956 111.0 51.5 -62.2 -51.2 60.2 20.6 3.2 432 177 B W H 3X S+ 0 0 6 -4,-2.4 4,-2.1 1,-0.3 -2,-0.2 0.807 100.9 61.6 -57.1 -36.1 60.3 16.9 4.0 433 178 B S H 3< S+ 0 0 24 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.850 113.2 37.1 -61.7 -33.1 56.8 16.9 5.6 434 179 B G H << S+ 0 0 54 -3,-1.0 -2,-0.2 -4,-0.9 -1,-0.2 0.731 127.9 32.4 -91.3 -24.0 55.3 18.0 2.3 435 180 B S H >X S+ 0 0 18 -4,-1.8 4,-2.8 1,-0.1 3,-2.4 0.419 72.7 114.6-117.8 6.7 57.5 15.9 -0.0 436 181 B Y T 3< + 0 0 26 -4,-2.1 -1,-0.1 1,-0.3 -3,-0.1 0.680 69.9 73.2 -51.2 -17.9 58.4 12.7 1.8 437 182 B E T 34 S+ 0 0 107 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.870 121.1 9.0 -65.6 -35.2 56.4 10.8 -0.8 438 183 B T T <4 S+ 0 0 69 -3,-2.4 -78,-1.6 -80,-0.1 -79,-1.6 0.571 124.8 67.7-119.2 -16.5 59.1 11.4 -3.5 439 184 B A E < -t 360 0F 0 -4,-2.8 2,-0.4 -81,-0.2 -78,-0.2 -0.863 62.3-149.4-114.8 142.5 61.9 12.9 -1.4 440 185 B H E -t 361 0F 1 -80,-2.3 -78,-2.6 -2,-0.3 2,-0.8 -0.911 16.2-133.4-110.0 132.6 64.2 11.3 1.3 441 186 B Y E -t 362 0F 11 -2,-0.4 2,-1.1 -80,-0.2 -78,-0.2 -0.769 17.4-154.2 -85.3 111.0 65.6 13.3 4.2 442 187 B M - 0 0 0 -80,-3.3 -78,-0.3 -2,-0.8 2,-0.2 -0.739 11.3-155.8 -90.9 93.9 69.3 12.4 4.5 443 188 B L - 0 0 14 -2,-1.1 -94,-0.1 1,-0.1 -80,-0.0 -0.481 8.0-141.8 -70.4 139.5 70.2 13.0 8.1 444 189 B G + 0 0 10 -2,-0.2 2,-0.3 -80,-0.1 -1,-0.1 0.557 68.9 19.3 -82.2 -11.1 73.9 13.7 8.8 445 190 B T S S- 0 0 24 2,-0.2 2,-1.5 43,-0.1 11,-0.2 -0.871 89.5 -81.0-149.9 179.2 74.6 12.0 12.0 446 191 B A S S+ 0 0 5 -2,-0.3 121,-0.4 10,-0.1 2,-0.2 -0.290 98.8 78.1 -84.1 54.0 73.5 9.3 14.5 447 192 B A + 0 0 1 -2,-1.5 -2,-0.2 118,-0.2 9,-0.1 -0.687 53.5 66.4-141.0-168.8 70.9 11.6 16.1 448 193 B G S S- 0 0 5 -2,-0.2 88,-0.2 86,-0.2 90,-0.1 -0.358 92.9 -15.1 81.5-166.7 67.5 13.0 15.5 449 194 B P S > S- 0 0 8 0, 0.0 3,-2.1 0, 0.0 -179,-0.2 -0.355 89.2 -65.8 -73.9 149.9 64.3 10.9 15.5 450 195 B H T 3 S+ 0 0 3 -181,-2.1 -166,-0.1 1,-0.3 -182,-0.0 -0.370 116.8 35.9 -62.2 148.2 64.2 7.1 15.2 451 196 B P T 3> S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 -1,-0.3 -0.962 107.5 74.3 -85.7 13.7 65.0 5.3 13.1 452 197 B Y H <> S+ 0 0 0 -3,-2.1 4,-2.8 2,-0.2 5,-0.3 0.873 94.7 47.2 -54.3 -51.7 67.9 7.7 12.3 453 198 B P H > S+ 0 0 4 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.925 118.7 45.3 -58.1 -38.9 70.3 7.0 15.2 454 199 B T H > S+ 0 0 11 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.904 114.4 46.3 -68.4 -44.9 69.8 3.3 14.5 455 200 B I H X S+ 0 0 0 -4,-2.9 4,-2.1 2,-0.2 -3,-0.2 0.918 112.0 49.4 -65.5 -47.1 70.2 3.6 10.6 456 201 B V H < S+ 0 0 0 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.859 111.1 51.3 -62.7 -35.6 73.3 5.8 10.7 457 202 B R H >X S+ 0 0 41 -4,-1.4 4,-1.7 -5,-0.3 3,-1.7 0.954 110.8 47.3 -65.7 -51.2 74.9 3.4 13.2 458 203 B E H 3< S+ 0 0 40 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.836 112.0 50.0 -60.8 -32.1 74.2 0.4 11.0 459 204 B F T 3< S+ 0 0 1 -4,-2.1 -1,-0.3 1,-0.2 -111,-0.2 0.303 118.2 40.0 -88.3 5.8 75.5 2.2 7.9 460 205 B Q T X4 S+ 0 0 0 -3,-1.7 3,-2.3 -5,-0.1 4,-0.4 0.445 86.2 96.9-124.0 -12.7 78.7 3.2 9.8 461 206 B R T 3X + 0 0 52 -4,-1.7 4,-2.3 1,-0.3 37,-0.2 0.595 64.3 78.2 -59.1 -13.1 79.3 -0.1 11.7 462 207 B M H 3> S+ 0 0 20 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.763 84.3 66.5 -67.4 -22.3 81.8 -1.4 9.1 463 208 B I H <> S+ 0 0 0 -3,-2.3 4,-2.5 2,-0.2 32,-0.2 0.984 107.8 37.4 -61.0 -53.6 84.3 0.9 10.8 464 209 B G H > S+ 0 0 0 30,-2.0 4,-2.5 -4,-0.4 -2,-0.2 0.909 116.6 52.9 -64.4 -43.0 84.2 -1.1 14.0 465 210 B E H X S+ 0 0 81 -4,-2.3 4,-1.6 29,-0.3 -1,-0.2 0.881 112.8 42.8 -60.0 -44.4 83.9 -4.4 12.1 466 211 B E H X S+ 0 0 35 -4,-2.8 4,-3.2 2,-0.2 5,-0.2 0.947 111.8 53.8 -67.4 -50.8 87.0 -3.8 9.9 467 212 B T H X S+ 0 0 0 -4,-2.5 4,-3.2 -5,-0.3 5,-0.3 0.908 108.6 51.6 -49.9 -42.2 89.0 -2.4 12.8 468 213 B K H X S+ 0 0 44 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.888 112.9 42.6 -63.2 -44.7 88.3 -5.6 14.8 469 214 B A H X S+ 0 0 63 -4,-1.6 4,-1.3 -3,-0.2 -1,-0.2 0.898 117.3 49.2 -68.5 -38.8 89.4 -7.9 12.0 470 215 B Q H X S+ 0 0 35 -4,-3.2 4,-2.8 2,-0.2 5,-0.2 0.936 112.8 43.3 -67.4 -48.5 92.4 -5.7 11.3 471 216 B I H X>S+ 0 0 0 -4,-3.2 4,-3.3 1,-0.2 5,-0.8 0.895 113.3 53.4 -66.1 -36.2 93.7 -5.4 14.9 472 217 B L H X5S+ 0 0 79 -4,-1.7 4,-0.6 -5,-0.3 -1,-0.2 0.836 112.5 46.7 -65.2 -31.2 93.0 -9.1 15.4 473 218 B D H <5S+ 0 0 127 -4,-1.3 -2,-0.2 2,-0.2 -1,-0.2 0.920 120.3 35.0 -76.0 -48.7 95.1 -9.6 12.3 474 219 B K H <5S+ 0 0 94 -4,-2.8 -2,-0.2 1,-0.1 -3,-0.2 0.880 137.1 17.4 -75.1 -42.3 98.0 -7.3 13.2 475 220 B E H <5S- 0 0 68 -4,-3.3 -3,-0.2 2,-0.3 -2,-0.2 0.594 87.4-130.2-109.3 -17.0 98.1 -7.9 17.0 476 221 B G S < S+ 0 0 1 75,-0.2 4,-2.4 -4,-0.1 5,-0.2 0.451 82.3 116.9 113.0 -0.2 77.9 10.6 17.2 490 235 B S H > S+ 0 0 7 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.913 81.2 40.8 -70.0 -46.4 78.1 8.8 13.8 491 236 B N H > S+ 0 0 9 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.918 119.4 48.5 -68.3 -36.9 81.9 8.0 13.5 492 237 B A H > S+ 0 0 0 -7,-0.4 4,-3.2 2,-0.2 3,-0.3 0.955 113.9 44.0 -65.4 -52.3 82.1 7.1 17.2 493 238 B I H X S+ 0 0 2 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.881 110.4 56.5 -63.4 -34.8 79.1 4.9 17.2 494 239 B G H < S+ 0 0 0 -4,-2.3 -30,-2.0 -5,-0.2 4,-0.5 0.863 114.0 40.1 -63.1 -36.4 80.3 3.3 13.9 495 240 B M H < S+ 0 0 0 -4,-1.7 3,-0.4 -3,-0.3 4,-0.4 0.946 119.2 45.1 -75.2 -48.3 83.6 2.4 15.6 496 241 B F H >X S+ 0 0 0 -4,-3.2 3,-2.4 1,-0.2 4,-0.8 0.883 93.7 81.4 -62.4 -46.6 82.0 1.4 19.0 497 242 B A G >< S+ 0 0 10 -4,-2.9 3,-0.9 1,-0.3 4,-0.3 0.755 93.2 42.1 -29.9 -57.5 79.2 -0.7 17.6 498 243 B D G 34 S+ 0 0 38 -4,-0.5 -1,-0.3 -3,-0.4 3,-0.2 0.698 116.0 52.2 -74.1 -13.0 81.0 -4.0 16.9 499 244 B F G X4 S+ 0 0 0 -3,-2.4 3,-1.4 -4,-0.4 6,-0.3 0.489 78.3 95.1 -99.7 -4.9 82.9 -3.7 20.2 500 245 B I T << S+ 0 0 33 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.1 0.836 89.1 45.5 -56.7 -35.1 79.9 -3.2 22.6 501 246 B N T 3 S+ 0 0 147 -4,-0.3 2,-1.4 -3,-0.2 -1,-0.3 0.531 92.6 84.7 -87.0 -5.7 79.7 -6.9 23.4 502 247 B D X - 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