==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 28-APR-06 2CLM . COMPND 2 MOLECULE: TRYPTOPHAN SYNTHASE ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR H.NGO,N.KIMMICH,R.HARRIS,D.NIKS,L.BLUMENSTEIN,V.KULIK, . 644 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23400.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 503 78.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 78 12.1 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 . 44 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 247 38.4 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 1 1 1 2 3 3 3 1 1 3 4 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 2 5 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 . 4 2 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 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 2 A E > 0 0 142 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -46.6 35.2 23.7 31.1 2 3 A R H > + 0 0 49 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.828 360.0 49.0 -70.8 -32.6 35.4 26.9 29.2 3 4 A Y H > S+ 0 0 7 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.915 110.6 51.8 -71.5 -41.4 35.5 25.1 25.8 4 5 A E H > S+ 0 0 142 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.943 113.4 43.4 -58.1 -50.4 32.5 23.0 26.9 5 6 A N H X S+ 0 0 86 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.899 113.4 53.0 -63.2 -41.9 30.5 26.1 27.8 6 7 A L H X S+ 0 0 16 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.945 111.1 43.3 -59.9 -53.0 31.6 28.0 24.7 7 8 A F H X S+ 0 0 25 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.832 113.2 53.2 -64.8 -31.8 30.6 25.3 22.2 8 9 A A H X S+ 0 0 51 -4,-1.7 4,-1.8 -5,-0.3 -1,-0.2 0.933 113.0 43.6 -67.5 -44.6 27.3 24.7 24.0 9 10 A Q H < S+ 0 0 109 -4,-2.4 4,-0.4 1,-0.2 -2,-0.2 0.853 114.2 50.0 -68.3 -35.8 26.5 28.4 23.8 10 11 A L H <>S+ 0 0 3 -4,-2.5 5,-2.4 1,-0.2 3,-0.3 0.795 108.7 53.6 -73.0 -28.1 27.7 28.6 20.2 11 12 A N H ><5S+ 0 0 110 -4,-1.7 3,-1.4 1,-0.2 -2,-0.2 0.880 103.3 55.0 -72.8 -38.7 25.5 25.6 19.3 12 13 A D T 3<5S+ 0 0 123 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.637 112.9 44.8 -68.9 -12.5 22.4 27.2 20.8 13 14 A R T 3 5S- 0 0 139 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.2 0.309 108.2-126.4-110.9 4.8 23.1 30.1 18.4 14 15 A R T < 5 + 0 0 204 -3,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.916 67.6 124.9 49.2 50.8 23.9 27.9 15.4 15 16 A E < - 0 0 23 -5,-2.4 237,-0.2 199,-0.0 -1,-0.2 -0.979 56.5-123.8-140.1 152.6 27.2 29.6 14.9 16 17 A G - 0 0 2 235,-3.3 2,-0.3 -2,-0.3 199,-0.3 -0.383 28.7-110.5 -88.8 169.9 30.8 28.5 14.5 17 18 A A E -a 215 0A 0 197,-2.0 199,-2.5 -2,-0.1 2,-0.5 -0.784 17.7-152.3-102.6 145.0 33.8 29.7 16.6 18 19 A F E -a 216 0A 0 -2,-0.3 27,-2.3 25,-0.3 28,-0.9 -0.977 14.8-174.3-116.8 119.2 36.6 31.9 15.3 19 20 A V E -a 217 0A 4 197,-2.9 199,-2.0 -2,-0.5 28,-0.2 -0.919 6.4-159.4-120.0 108.7 39.9 31.5 17.1 20 21 A P E -a 218 0A 0 0, 0.0 28,-1.9 0, 0.0 2,-0.4 -0.515 6.7-145.4 -84.7 153.8 42.8 33.7 16.3 21 22 A F E +e 48 0B 7 197,-2.4 2,-0.3 26,-0.2 28,-0.2 -0.952 23.0 163.1-119.7 140.6 46.4 32.9 17.0 22 23 A V E -e 49 0B 3 26,-1.7 28,-2.2 -2,-0.4 2,-0.5 -0.979 38.9-108.4-150.0 155.2 49.2 35.2 18.0 23 24 A T E > -e 50 0B 1 -2,-0.3 3,-1.8 26,-0.2 2,-0.2 -0.752 39.7-114.6 -88.7 129.2 52.7 34.9 19.6 24 25 A L T 3 S+ 0 0 0 26,-2.9 5,-0.1 -2,-0.5 56,-0.1 -0.427 100.1 17.9 -64.3 130.6 52.8 36.2 23.2 25 26 A G T 3 S+ 0 0 0 3,-0.3 -1,-0.3 1,-0.3 4,-0.2 0.461 90.1 167.2 88.6 0.1 55.1 39.2 23.5 26 27 A D S < S- 0 0 1 -3,-1.8 -1,-0.3 1,-0.3 44,-0.1 -0.854 76.9 -7.5 -99.3 123.8 55.0 40.0 19.8 27 28 A P S S- 0 0 31 0, 0.0 -1,-0.3 0, 0.0 2,-0.3 -0.980 142.1 -31.9 -87.3 3.5 56.0 42.7 19.0 28 29 A G > - 0 0 15 1,-0.1 4,-2.6 46,-0.0 -3,-0.3 -0.958 58.7 -98.9-172.3 161.7 56.3 43.5 22.7 29 30 A I H > S+ 0 0 46 -2,-0.3 4,-2.6 2,-0.2 -4,-0.2 0.957 119.8 42.9 -55.4 -56.8 54.6 42.8 26.1 30 31 A E H > S+ 0 0 138 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.939 118.8 42.6 -55.9 -54.7 52.5 46.0 26.2 31 32 A Q H > S+ 0 0 27 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.835 112.8 54.7 -63.8 -33.6 51.5 45.9 22.5 32 33 A S H X S+ 0 0 1 -4,-2.6 4,-3.1 2,-0.2 -1,-0.2 0.935 106.6 50.0 -66.0 -46.2 50.8 42.2 22.7 33 34 A L H X S+ 0 0 26 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.860 113.9 47.0 -59.3 -35.3 48.4 42.7 25.6 34 35 A K H X S+ 0 0 116 -4,-1.7 4,-1.8 -5,-0.2 -1,-0.2 0.877 110.1 52.1 -73.7 -38.8 46.7 45.4 23.6 35 36 A I H X S+ 0 0 1 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.956 110.3 49.0 -60.6 -49.5 46.6 43.2 20.5 36 37 A I H X S+ 0 0 0 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.891 109.9 50.2 -58.7 -42.9 45.0 40.4 22.5 37 38 A D H X S+ 0 0 48 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.841 111.0 50.7 -65.8 -31.5 42.3 42.7 24.0 38 39 A T H X S+ 0 0 9 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.914 107.6 51.9 -70.9 -43.8 41.5 44.0 20.5 39 40 A L H X>S+ 0 0 0 -4,-2.5 5,-2.2 1,-0.2 4,-0.7 0.895 113.6 45.4 -58.7 -40.3 41.1 40.5 19.2 40 41 A I H ><5S+ 0 0 32 -4,-2.0 3,-0.9 1,-0.2 -2,-0.2 0.927 113.0 48.1 -69.8 -45.7 38.7 39.7 22.0 41 42 A D H 3<5S+ 0 0 120 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.777 107.8 58.9 -66.2 -25.2 36.7 42.9 21.7 42 43 A A H 3<5S- 0 0 16 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.691 131.6 -81.6 -78.4 -20.8 36.5 42.3 17.9 43 44 A G T <<5 + 0 0 20 -3,-0.9 -25,-0.3 -4,-0.7 -3,-0.2 0.421 67.5 159.2 136.7 -2.0 34.8 39.0 18.3 44 45 A A < - 0 0 10 -5,-2.2 -1,-0.2 -6,-0.2 -25,-0.2 -0.275 24.4-162.3 -53.6 127.9 37.3 36.2 19.0 45 46 A D S S- 0 0 18 -27,-2.3 2,-0.3 1,-0.2 -26,-0.2 0.728 73.5 -5.7 -84.2 -24.4 35.5 33.2 20.6 46 47 A A - 0 0 1 -28,-0.9 2,-0.4 48,-0.2 -1,-0.2 -0.959 69.9-123.7-159.2 169.5 38.8 31.8 22.0 47 48 A L E - f 0 96B 2 48,-2.6 50,-3.0 -2,-0.3 2,-0.5 -0.956 6.4-162.7-129.0 145.5 42.5 32.4 21.8 48 49 A E E -ef 21 97B 9 -28,-1.9 -26,-1.7 -2,-0.4 2,-0.4 -0.994 22.2-170.7-122.7 118.8 45.5 30.3 20.8 49 50 A L E -ef 22 98B 0 48,-3.2 50,-2.2 -2,-0.5 2,-0.3 -0.943 11.0-145.4-120.0 132.7 48.7 31.8 22.2 50 51 A G E -ef 23 99B 4 -28,-2.2 -26,-2.9 -2,-0.4 50,-0.2 -0.704 7.8-140.8 -97.3 143.9 52.3 30.9 21.4 51 52 A V - 0 0 7 48,-1.3 50,-0.1 -2,-0.3 53,-0.1 -0.902 38.6-103.2-100.9 121.2 55.2 31.0 23.8 52 53 A P - 0 0 1 0, 0.0 2,-0.4 0, 0.0 28,-0.1 -0.143 46.3-176.6 -45.3 126.2 58.4 32.2 22.0 53 54 A F - 0 0 1 1,-0.1 18,-0.1 23,-0.1 492,-0.1 -0.983 32.9-129.7-132.7 143.4 60.7 29.3 21.3 54 55 A S S S+ 0 0 23 -2,-0.4 361,-0.1 1,-0.2 -1,-0.1 0.804 101.9 29.7 -58.0 -36.1 64.2 29.2 19.7 55 56 A D + 0 0 1 359,-0.1 2,-2.2 368,-0.0 -1,-0.2 -0.562 63.0 178.1-132.5 73.6 63.4 26.6 17.1 56 57 A P > + 0 0 10 0, 0.0 3,-1.8 0, 0.0 8,-0.1 -0.456 9.0 171.6 -74.3 75.8 59.8 26.5 16.0 57 58 A L T 3 S+ 0 0 7 -2,-2.2 7,-0.0 1,-0.3 44,-0.0 0.374 72.3 56.7 -69.5 5.7 60.2 23.7 13.4 58 59 A A T 3 S+ 0 0 36 2,-0.1 2,-0.4 211,-0.0 -1,-0.3 0.306 93.0 85.1-117.7 5.8 56.4 23.5 12.9 59 60 A D < - 0 0 27 -3,-1.8 368,-0.1 1,-0.1 0, 0.0 -0.867 68.2-132.1-115.6 145.3 55.9 27.1 11.8 60 61 A G > - 0 0 36 -2,-0.4 4,-2.0 1,-0.0 5,-0.1 -0.042 46.9 -79.1 -76.3-173.6 56.2 28.9 8.5 61 62 A P H > S+ 0 0 91 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.885 124.2 58.6 -55.5 -47.4 58.1 32.2 7.9 62 63 A T H > S+ 0 0 26 1,-0.2 4,-1.1 2,-0.2 3,-0.1 0.939 114.2 35.1 -52.1 -54.6 55.4 34.5 9.2 63 64 A I H > S+ 0 0 12 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.820 110.2 63.9 -72.8 -29.1 55.3 32.9 12.7 64 65 A Q H X S+ 0 0 30 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.912 106.9 45.1 -57.6 -41.5 59.0 32.3 12.7 65 66 A N H X S+ 0 0 66 -4,-2.2 4,-3.1 2,-0.2 -1,-0.2 0.788 104.8 61.1 -72.5 -29.8 59.4 36.1 12.6 66 67 A A H X S+ 0 0 0 -4,-1.1 4,-2.2 -5,-0.2 -2,-0.2 0.933 108.3 44.7 -62.2 -43.3 56.8 36.6 15.2 67 68 A N H X S+ 0 0 10 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.887 111.0 53.9 -65.7 -40.5 59.0 34.6 17.6 68 69 A L H X S+ 0 0 96 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.941 110.5 46.3 -59.2 -48.3 62.0 36.6 16.4 69 70 A R H X S+ 0 0 39 -4,-3.1 4,-0.9 1,-0.2 -2,-0.2 0.889 111.3 52.2 -62.0 -40.1 60.3 39.8 17.2 70 71 A A H ><>S+ 0 0 0 -4,-2.2 5,-2.1 1,-0.2 3,-0.6 0.917 110.7 47.3 -62.6 -43.9 59.2 38.5 20.6 71 72 A F H ><5S+ 0 0 71 -4,-2.7 3,-1.9 1,-0.3 -1,-0.2 0.865 104.8 59.3 -65.7 -36.4 62.8 37.5 21.4 72 73 A A H 3<5S+ 0 0 92 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.781 105.1 52.6 -62.0 -24.0 64.0 40.9 20.3 73 74 A A T <<5S- 0 0 48 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.456 119.5-113.7 -89.5 -3.6 61.7 42.2 23.0 74 75 A G T < 5 + 0 0 44 -3,-1.9 -3,-0.2 1,-0.2 2,-0.2 0.684 53.3 171.5 79.4 19.1 63.3 39.9 25.6 75 76 A V < - 0 0 4 -5,-2.1 -1,-0.2 -50,-0.1 -2,-0.0 -0.416 6.6-177.8 -67.2 132.9 60.1 37.9 26.0 76 77 A T > - 0 0 40 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.841 40.8-106.4-127.2 164.3 60.5 34.7 28.2 77 78 A P H > S+ 0 0 20 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.889 119.2 55.2 -57.9 -40.4 58.3 31.9 29.3 78 79 A A H > S+ 0 0 58 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.911 109.8 46.1 -59.7 -42.9 58.0 33.3 32.8 79 80 A Q H > S+ 0 0 70 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.845 107.6 58.2 -68.9 -33.7 56.8 36.6 31.5 80 81 A C H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.884 105.6 49.5 -63.1 -37.9 54.4 34.8 29.2 81 82 A F H X S+ 0 0 16 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.811 108.4 52.8 -71.4 -28.6 52.8 33.2 32.2 82 83 A E H X S+ 0 0 116 -4,-1.2 4,-1.9 2,-0.2 -2,-0.2 0.903 110.4 48.4 -71.3 -39.3 52.5 36.6 33.9 83 84 A M H X S+ 0 0 4 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.925 109.5 52.8 -63.4 -45.2 50.8 37.9 30.8 84 85 A L H X S+ 0 0 2 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.892 106.7 52.0 -58.4 -42.3 48.4 34.9 30.8 85 86 A A H X S+ 0 0 28 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.930 112.4 46.7 -59.8 -45.3 47.5 35.5 34.5 86 87 A L H X S+ 0 0 76 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.904 109.9 52.4 -63.2 -45.5 46.6 39.1 33.6 87 88 A I H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 3,-0.4 0.916 111.6 46.7 -59.0 -43.8 44.6 38.1 30.5 88 89 A R H < S+ 0 0 22 -4,-2.3 -1,-0.2 32,-0.2 -2,-0.2 0.874 107.0 57.3 -66.9 -37.7 42.5 35.7 32.5 89 90 A E H < S+ 0 0 147 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.780 114.1 40.1 -63.7 -26.6 42.0 38.2 35.3 90 91 A K H < S+ 0 0 95 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.783 124.6 35.6 -91.1 -31.9 40.5 40.6 32.6 91 92 A H < + 0 0 43 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.0 -0.864 64.3 178.5-128.6 96.7 38.5 38.0 30.7 92 93 A P S S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.698 76.4 33.4 -71.9 -22.3 37.0 35.2 32.8 93 94 A T S S+ 0 0 113 2,-0.1 -87,-0.1 -88,-0.0 -88,-0.1 0.711 82.4 105.9-110.8 -21.8 35.2 33.1 30.2 94 95 A I S S- 0 0 13 1,-0.1 -48,-0.2 -6,-0.1 2,-0.2 -0.378 74.7-116.6 -62.9 129.1 37.1 33.2 26.9 95 96 A P - 0 0 1 0, 0.0 -48,-2.6 0, 0.0 2,-0.5 -0.478 29.1-159.4 -68.4 136.1 38.9 29.9 26.3 96 97 A I E -f 47 0B 2 25,-0.2 27,-3.1 -50,-0.2 28,-1.4 -0.971 10.7-178.0-121.9 119.0 42.7 30.3 26.3 97 98 A G E -fg 48 124B 0 -50,-3.0 -48,-3.2 -2,-0.5 2,-0.3 -0.893 14.6-142.8-116.8 147.5 44.9 27.7 24.6 98 99 A L E -fg 49 125B 2 26,-2.2 28,-2.6 -2,-0.4 2,-0.6 -0.830 3.0-149.3-109.1 147.4 48.7 27.6 24.3 99 100 A L E +fg 50 126B 21 -50,-2.2 -48,-1.3 -2,-0.3 2,-0.3 -0.977 34.3 177.1-112.8 112.3 50.7 26.4 21.4 100 101 A M E - g 0 127B 2 26,-3.2 28,-2.8 -2,-0.6 2,-0.4 -0.788 32.5-132.0-121.1 162.5 53.9 24.9 22.9 101 102 A Y >> - 0 0 7 -2,-0.3 3,-1.4 26,-0.2 4,-0.9 -0.906 35.7-114.5-109.1 139.2 57.1 23.2 21.8 102 103 A A H >> S+ 0 0 0 -2,-0.4 4,-2.6 1,-0.3 3,-0.6 0.775 108.6 58.3 -43.7 -43.6 58.0 20.1 23.8 103 104 A N H 3> S+ 0 0 0 427,-0.6 4,-2.9 1,-0.2 -1,-0.3 0.852 102.6 54.1 -63.9 -31.1 61.1 21.4 25.5 104 105 A L H <4 S+ 0 0 7 -3,-1.4 4,-0.4 2,-0.2 -1,-0.2 0.788 114.3 42.2 -70.9 -26.3 59.4 24.3 27.1 105 106 A V H << S+ 0 0 0 -4,-0.9 8,-0.4 -3,-0.6 -2,-0.2 0.834 120.8 41.3 -85.1 -37.6 56.9 21.9 28.7 106 107 A F H >< S+ 0 0 46 -4,-2.6 3,-2.0 1,-0.1 -2,-0.2 0.826 93.9 87.5 -79.3 -33.4 59.5 19.3 29.6 107 108 A N T 3< S+ 0 0 19 -4,-2.9 -1,-0.1 1,-0.3 -3,-0.1 0.799 104.6 17.2 -32.8 -66.5 62.2 21.8 30.8 108 109 A N T 3 S- 0 0 121 -4,-0.4 -1,-0.3 1,-0.3 4,-0.1 0.158 135.9 -60.9-100.6 18.5 61.2 22.2 34.5 109 110 A G <> - 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0 0 85 -8,-2.9 -8,-0.3 -2,-0.3 2,-0.2 -0.584 18.8-102.1-110.1 172.0 71.7 27.0 22.2 548 296 B E - 0 0 98 -2,-0.2 2,-0.5 10,-0.1 -29,-0.2 -0.548 26.6-121.6 -93.2 157.9 74.6 26.4 19.8 549 297 B S - 0 0 12 8,-0.8 2,-0.4 -2,-0.2 -29,-0.3 -0.874 25.7-148.6 -99.3 125.0 77.6 24.2 20.4 550 298 B Y + 0 0 79 -31,-2.3 2,-0.3 -2,-0.5 3,-0.1 -0.808 32.0 140.9 -98.1 137.3 80.9 26.1 20.2 551 299 B S - 0 0 16 -2,-0.4 -32,-0.1 -32,-0.1 29,-0.1 -0.955 58.4-120.8-165.1 151.3 84.1 24.4 19.0 552 300 B I S S+ 0 0 25 -2,-0.3 2,-0.5 49,-0.1 50,-0.1 0.809 102.8 74.3 -64.8 -28.1 87.1 25.3 16.8 553 301 B S S > S- 0 0 1 48,-0.2 3,-1.0 1,-0.1 -189,-0.0 -0.761 74.5-152.2 -90.4 126.1 86.0 22.4 14.7 554 302 B A G > S+ 0 0 27 -2,-0.5 3,-0.9 1,-0.2 -190,-0.2 0.794 90.8 63.0 -66.3 -28.0 82.9 23.1 12.6 555 303 B G G 3 S+ 0 0 1 1,-0.3 3,-0.4 -192,-0.1 -1,-0.2 0.646 91.8 61.4 -74.9 -15.6 81.8 19.5 12.5 556 304 B L G < S+ 0 0 1 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.1 -0.013 74.8 108.6-100.7 33.5 81.3 19.1 16.3 557 305 B D < + 0 0 21 -3,-0.9 -8,-0.8 2,-0.0 -138,-0.2 0.432 32.4 119.6 -88.1 -5.5 78.6 21.8 16.1 558 306 B F - 0 0 10 -3,-0.4 -10,-0.1 1,-0.2 -3,-0.0 -0.503 60.2-143.2 -63.9 120.4 75.4 19.7 16.7 559 307 B P S S+ 0 0 3 0, 0.0 -20,-2.3 0, 0.0 -12,-0.2 0.413 79.0 31.6 -68.7 4.0 73.9 21.2 19.9 560 308 B S S S- 0 0 1 -22,-0.2 2,-0.3 -76,-0.1 -37,-0.2 -0.460 80.6-121.1-134.3-152.0 72.8 17.8 21.2 561 309 B V - 0 0 0 -24,-0.5 -75,-0.2 -2,-0.2 -76,-0.1 -0.980 35.2 -79.2-160.6 151.5 74.0 14.2 21.0 562 310 B G >> - 0 0 1 -77,-2.3 4,-1.5 -2,-0.3 3,-0.8 -0.195 38.0-128.2 -53.4 138.9 72.7 10.9 19.7 563 311 B P H 3> S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 -299,-0.2 0.805 105.6 60.6 -61.4 -29.9 70.3 9.1 22.2 564 312 B Q H 3> S+ 0 0 23 -121,-0.4 4,-2.7 1,-0.2 5,-0.2 0.837 103.6 51.1 -68.1 -30.8 72.3 5.8 22.1 565 313 B H H <> S+ 0 0 1 -3,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.906 108.3 51.1 -70.2 -41.6 75.4 7.6 23.4 566 314 B A H X S+ 0 0 4 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.900 113.9 46.3 -61.0 -38.7 73.4 9.2 26.3 567 315 B Y H X S+ 0 0 78 -4,-2.0 4,-1.9 2,-0.2 6,-0.2 0.935 109.9 50.7 -68.9 -48.8 72.1 5.7 27.1 568 316 B L H <>S+ 0 0 6 -4,-2.7 6,-1.7 1,-0.2 5,-1.6 0.844 112.6 49.7 -59.0 -32.4 75.5 3.9 26.9 569 317 B N H ><5S+ 0 0 45 -4,-2.1 3,-1.5 3,-0.2 -1,-0.2 0.944 106.3 54.6 -70.1 -48.9 76.8 6.6 29.2 570 318 B S H 3<5S+ 0 0 66 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.833 112.5 42.1 -55.4 -37.7 74.0 6.2 31.7 571 319 B I T 3<5S- 0 0 93 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.424 114.1-116.4 -91.3 0.9 74.6 2.5 32.2 572 320 B G T < 5S+ 0 0 48 -3,-1.5 -3,-0.2 -4,-0.2 -2,-0.1 0.608 80.9 120.8 78.0 12.2 78.3 2.9 32.2 573 321 B R S -p 511 0D 38 -2,-0.4 4,-2.4 -70,-0.3 5,-0.2 -0.271 27.1-104.0 -80.4 166.9 89.6 21.7 24.3 581 329 B D H > S+ 0 0 9 -70,-2.8 4,-2.5 1,-0.2 5,-0.2 0.929 122.7 48.5 -51.7 -49.8 90.3 23.7 21.1 582 330 B D H > S+ 0 0 123 -71,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.858 109.8 50.2 -64.1 -36.2 94.0 24.0 22.1 583 331 B E H > S+ 0 0 61 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.889 112.2 48.5 -68.6 -37.8 94.3 20.3 22.9 584 332 B A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.909 110.0 52.1 -66.9 -42.5 92.8 19.4 19.5 585 333 B L H X S+ 0 0 13 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.895 108.6 50.4 -61.2 -41.3 95.1 21.9 17.8 586 334 B E H X S+ 0 0 62 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.917 110.8 48.8 -64.0 -42.2 98.2 20.3 19.4 587 335 B A H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.890 109.6 53.3 -64.2 -38.8 97.0 16.8 18.3 588 336 B F H X S+ 0 0 9 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.955 112.3 43.4 -60.0 -51.3 96.5 18.1 14.8 589 337 B K H X S+ 0 0 98 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.890 112.9 53.3 -62.8 -40.2 100.0 19.5 14.6 590 338 B T H X S+ 0 0 20 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.911 108.6 47.4 -63.7 -44.2 101.5 16.4 16.1 591 339 B L H X>S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 6,-1.2 0.910 112.2 51.2 -65.9 -39.4 99.9 13.9 13.7 592 340 B C H X5S+ 0 0 39 -4,-1.9 4,-0.9 -5,-0.2 -2,-0.2 0.946 116.8 39.0 -59.6 -50.0 101.0 16.1 10.7 593 341 B R H <5S+ 0 0 196 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.815 125.9 32.9 -73.8 -32.5 104.6 16.3 11.8 594 342 B H H <5S+ 0 0 84 -4,-2.4 -278,-0.2 -5,-0.2 -3,-0.2 0.675 132.4 21.5-102.5 -18.7 105.1 12.7 13.2 595 343 B E H <5S- 0 0 40 -4,-2.2 -3,-0.2 -5,-0.3 -2,-0.1 0.446 92.8-122.5-126.5 -5.1 102.9 10.5 11.0 596 344 B G S < - 0 0 0 30,-2.3 4,-2.0 -2,-0.2 32,-0.2 -0.375 32.3-119.1 -66.7 152.4 90.2 16.7 10.5 601 349 B L H > S+ 0 0 0 2,-0.2 4,-0.5 1,-0.2 -48,-0.2 0.784 115.9 57.3 -66.5 -24.0 89.9 19.1 13.5 602 350 B E H >> S+ 0 0 0 1,-0.2 3,-1.9 2,-0.2 4,-0.7 0.989 109.6 42.2 -65.6 -58.4 86.9 17.0 14.6 603 351 B S H >> S+ 0 0 0 1,-0.3 4,-2.1 2,-0.2 3,-0.7 0.790 101.5 72.2 -56.9 -32.3 89.0 13.8 14.6 604 352 B S H 3X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.3 -1,-0.3 0.755 90.1 60.5 -57.9 -24.8 91.8 15.7 16.3 605 353 B H H < S+ 0 0 106 -4,-0.9 3,-2.0 -3,-0.3 -1,-0.3 -0.604 72.2 172.6-139.6 72.5 100.5 7.2 32.3 618 366 B P T 3 S+ 0 0 51 0, 0.0 -296,-2.4 0, 0.0 -295,-0.2 0.685 79.3 49.4 -53.0 -30.2 103.5 6.5 30.0 619 367 B E T 3 S+ 0 0 141 -298,-0.2 2,-0.6 -297,-0.1 -4,-0.1 0.278 82.4 110.6 -99.0 10.3 104.2 3.1 31.4 620 368 B K < - 0 0 104 -3,-2.0 2,-0.5 -6,-0.3 -298,-0.2 -0.770 69.6-132.0 -86.8 123.2 100.7 1.8 31.2 621 369 B E + 0 0 130 -2,-0.6 2,-0.3 -298,-0.1 -298,-0.2 -0.633 43.3 155.5 -76.7 119.2 100.5 -0.9 28.6 622 370 B Q E -m 323 0D 9 -300,-1.9 -298,-2.5 -2,-0.5 2,-0.6 -0.987 39.2-147.8-153.1 139.8 97.5 -0.2 26.4 623 371 B L E -m 324 0D 3 -2,-0.3 -146,-2.9 -300,-0.2 -145,-1.3 -0.936 31.0-177.6-106.2 114.1 96.3 -0.9 22.8 624 372 B L E -mo 325 478D 1 -300,-3.0 -298,-2.5 -2,-0.6 2,-0.4 -0.880 19.4-162.8-119.2 147.4 94.2 2.0 21.5 625 373 B V E -mo 326 479D 0 -147,-1.8 -145,-3.1 -2,-0.3 2,-0.4 -0.997 7.9-164.0-127.2 125.3 92.3 2.7 18.3 626 374 B V E -mo 327 480D 0 -300,-2.7 -298,-2.5 -2,-0.4 2,-0.8 -0.909 21.4-129.2-107.2 135.5 91.3 6.2 17.4 627 375 B N E -m 328 0D 0 -147,-2.8 2,-1.6 -2,-0.4 -145,-0.4 -0.768 14.2-155.1 -84.8 112.6 88.7 6.7 14.7 628 376 B L E -m 329 0D 0 -300,-2.2 -298,-0.7 -2,-0.8 -297,-0.6 -0.666 15.1-175.1 -88.9 83.4 90.2 9.2 12.2 629 377 B S - 0 0 0 -2,-1.6 -291,-2.1 -299,-0.2 2,-0.3 0.705 56.2 -10.8 -54.8 -27.3 86.8 10.3 11.0 630 378 B G B -Q 337 0E 0 -293,-0.2 -30,-2.3 -30,-0.1 -299,-0.3 -0.994 69.1 -93.8-166.5 167.9 88.1 12.6 8.3 631 379 B R B -W 599 0I 101 -295,-2.4 3,-0.4 -2,-0.3 -30,-0.2 -0.560 27.1-139.5 -87.3 156.6 91.1 14.3 6.6 632 380 B G >> + 0 0 0 -34,-2.7 3,-1.8 -32,-0.2 4,-0.6 0.137 68.8 111.6-105.8 21.2 91.9 17.9 7.6 633 381 B D G >4 S+ 0 0 80 -35,-0.3 3,-1.0 1,-0.3 4,-0.3 0.878 81.1 59.1 -58.2 -32.5 92.8 19.5 4.3 634 382 B K G 34 S+ 0 0 53 -3,-0.4 -1,-0.3 1,-0.2 4,-0.2 0.657 104.7 49.3 -68.2 -18.5 89.6 21.5 4.8 635 383 B D G <> S+ 0 0 11 -3,-1.8 4,-2.6 1,-0.1 5,-0.3 0.431 78.7 100.6-102.3 -1.6 91.0 22.9 8.1 636 384 B I H S+ 0 0 149 -4,-0.3 4,-3.0 2,-0.2 5,-0.2 0.913 111.6 50.8 -65.7 -44.0 93.4 27.6 6.5 638 386 B T H > S+ 0 0 60 -4,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.933 112.8 45.4 -60.1 -47.2 91.8 27.7 10.0 639 387 B V H X S+ 0 0 9 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.876 113.1 52.5 -64.1 -37.2 94.9 26.2 11.6 640 388 B H H X S+ 0 0 122 -4,-2.0 4,-3.0 -5,-0.3 5,-0.3 0.968 107.4 49.4 -62.4 -55.4 97.0 28.7 9.6 641 389 B D H X S+ 0 0 108 -4,-3.0 4,-1.4 1,-0.2 -1,-0.2 0.865 114.6 48.1 -51.8 -38.6 95.1 31.8 10.7 642 390 B I H < S+ 0 0 65 -4,-1.8 3,-0.2 -5,-0.2 -2,-0.2 0.977 114.0 41.3 -69.0 -58.6 95.4 30.6 14.3 643 391 B L H < S+ 0 0 101 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.881 115.3 52.8 -58.4 -39.1 99.1 29.7 14.4 644 392 B K H < 0 0 78 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.865 360.0 360.0 -64.4 -34.6 99.9 32.9 12.4 645 393 B A < 0 0 115 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.705 360.0 360.0 -73.5 360.0 97.9 34.8 15.0 646 ! 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 0.0 647 1394 B X 0 0 13 0, 0.0 -280,-3.0 0, 0.0 -281,-1.1 0.000 360.0 360.0 360.0 360.0 78.5 17.6 10.3