==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 08-JAN-97 2TYS . COMPND 2 MOLECULE: TRYPTOPHAN SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR S.RHEE,K.D.PARRIS,C.C.HYDE,S.A.AHMED,E.W.MILES,D.R.DAVIES . 651 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23130.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 506 77.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 76 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 4.1 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 . 40 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 250 38.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.5 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 2 3 2 2 2 2 4 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 5 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 . 5 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 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 29 0, 0.0 3,-2.0 0, 0.0 4,-1.2 0.000 360.0 360.0 360.0 -56.6 39.9 22.3 29.8 2 2 A E H 3> + 0 0 101 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.770 360.0 63.6 -47.4 -41.1 36.5 23.6 30.8 3 3 A R H 3> S+ 0 0 73 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.781 103.2 50.8 -59.4 -30.3 37.0 27.1 29.3 4 4 A Y H <> S+ 0 0 4 -3,-2.0 4,-2.6 2,-0.2 5,-0.2 0.901 109.1 49.5 -72.5 -45.2 37.2 25.5 25.9 5 5 A E H X S+ 0 0 131 -4,-1.2 4,-2.4 1,-0.2 -2,-0.2 0.916 110.5 50.3 -57.9 -47.8 34.0 23.6 26.4 6 6 A N H X S+ 0 0 106 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.884 111.8 49.6 -59.1 -42.1 32.2 26.7 27.5 7 7 A L H X S+ 0 0 27 -4,-1.4 4,-3.4 -5,-0.2 -2,-0.2 0.940 113.1 43.1 -62.4 -55.1 33.5 28.5 24.4 8 8 A F H X S+ 0 0 30 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.803 113.0 55.8 -63.0 -32.2 32.5 25.9 21.9 9 9 A A H X S+ 0 0 51 -4,-2.4 4,-1.3 -5,-0.2 -2,-0.2 0.957 115.7 35.4 -63.1 -54.3 29.1 25.6 23.7 10 10 A Q H X S+ 0 0 103 -4,-2.4 4,-0.6 2,-0.2 -2,-0.2 0.887 114.4 56.4 -68.2 -44.5 28.4 29.3 23.4 11 11 A L H ><>S+ 0 0 3 -4,-3.4 5,-2.5 1,-0.2 3,-1.5 0.915 106.8 51.7 -52.9 -47.5 30.0 29.6 19.9 12 12 A N H ><5S+ 0 0 88 -4,-2.0 3,-1.9 1,-0.3 -1,-0.2 0.869 100.9 61.4 -56.3 -43.6 27.7 26.9 18.7 13 13 A D H 3<5S+ 0 0 103 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.618 112.0 38.3 -60.8 -19.3 24.6 28.7 20.1 14 14 A R T <<5S- 0 0 143 -3,-1.5 -1,-0.3 -4,-0.6 -2,-0.2 0.196 110.5-122.0-114.6 7.7 25.4 31.6 17.8 15 15 A R T < 5 + 0 0 170 -3,-1.9 2,-0.2 1,-0.2 -3,-0.2 0.770 65.3 147.9 52.7 30.9 26.5 29.3 14.9 16 16 A E < - 0 0 33 -5,-2.5 2,-0.2 -6,-0.2 239,-0.2 -0.621 44.5-132.7 -94.5 152.6 29.8 31.2 15.1 17 17 A G - 0 0 2 237,-2.4 2,-0.3 -2,-0.2 201,-0.3 -0.637 28.3-106.1 -99.8 159.4 33.3 29.8 14.4 18 18 A A E -a 218 0A 0 199,-2.0 201,-2.8 -2,-0.2 2,-0.5 -0.699 23.6-158.6 -89.6 138.5 36.3 30.4 16.7 19 19 A F E -a 219 0A 0 -2,-0.3 27,-2.6 25,-0.2 28,-0.9 -0.970 13.7-179.4-120.3 113.0 39.0 32.8 15.7 20 20 A V E -a 220 0A 2 199,-2.4 201,-2.1 -2,-0.5 2,-0.2 -0.935 9.4-159.5-120.0 109.3 42.3 32.2 17.5 21 21 A P E -a 221 0A 1 0, 0.0 28,-1.9 0, 0.0 2,-0.4 -0.537 10.8-138.4 -85.1 145.7 45.3 34.4 16.9 22 22 A F E +e 49 0B 8 199,-2.0 2,-0.3 -2,-0.2 204,-0.3 -0.882 27.5 168.2-104.3 138.6 48.9 33.2 17.7 23 23 A V E -e 50 0B 1 26,-1.8 28,-2.5 -2,-0.4 2,-0.5 -0.981 34.5-120.2-148.0 147.8 51.3 35.7 19.3 24 24 A T E > -e 51 0B 0 -2,-0.3 3,-1.7 26,-0.2 2,-0.2 -0.828 35.9-116.3 -90.7 125.7 54.8 35.2 20.9 25 25 A L T 3 S+ 0 0 0 26,-2.9 5,-0.1 -2,-0.5 56,-0.1 -0.460 98.6 18.3 -63.9 127.6 54.9 36.3 24.6 26 26 A G T 3 S+ 0 0 0 3,-0.3 -1,-0.2 1,-0.3 48,-0.1 0.416 88.5 163.7 92.9 3.2 57.2 39.3 25.0 27 27 A D S < S- 0 0 0 -3,-1.7 -1,-0.3 1,-0.3 -3,-0.1 -0.890 75.8 -5.1-101.0 121.6 57.3 40.4 21.3 28 28 A P S S- 0 0 37 0, 0.0 -1,-0.3 0, 0.0 2,-0.3 -0.991 140.8 -29.0 -91.7 2.6 58.3 43.1 20.8 29 29 A G > - 0 0 7 1,-0.1 4,-1.9 46,-0.0 -3,-0.3 -0.934 61.2-100.7-166.2 165.5 58.5 43.9 24.6 30 30 A I H > S+ 0 0 37 -2,-0.3 4,-2.1 44,-0.3 -4,-0.2 0.961 119.4 38.3 -59.3 -61.7 56.8 42.8 27.8 31 31 A E H > S+ 0 0 136 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.897 118.8 47.7 -58.2 -47.7 54.5 45.9 28.2 32 32 A Q H > S+ 0 0 35 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.841 109.5 55.9 -65.0 -34.4 53.8 46.2 24.4 33 33 A S H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.911 106.8 48.3 -61.9 -47.7 53.1 42.5 24.3 34 34 A L H X S+ 0 0 29 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.882 111.3 51.6 -59.3 -42.0 50.5 42.8 27.0 35 35 A K H X S+ 0 0 109 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.899 109.0 50.2 -60.5 -47.1 49.0 45.8 25.1 36 36 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.916 109.0 51.3 -57.3 -49.4 48.8 43.7 21.9 37 37 A I H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.857 108.2 51.9 -59.4 -40.0 47.1 40.8 23.7 38 38 A D H X S+ 0 0 41 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.908 109.4 51.2 -63.3 -42.4 44.4 43.2 25.1 39 39 A T H X S+ 0 0 3 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.872 107.5 51.2 -62.4 -43.4 43.8 44.5 21.6 40 40 A L H X>S+ 0 0 0 -4,-2.2 5,-2.6 2,-0.2 4,-0.6 0.905 112.8 46.3 -59.8 -47.0 43.3 41.1 20.1 41 41 A I H ><5S+ 0 0 34 -4,-1.9 3,-0.8 3,-0.2 -2,-0.2 0.910 115.2 46.3 -60.9 -47.0 40.8 40.2 22.9 42 42 A D H 3<5S+ 0 0 117 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.859 108.4 56.0 -62.9 -42.0 39.0 43.5 22.4 43 43 A A H 3<5S- 0 0 14 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.586 132.8 -87.4 -68.9 -14.4 39.0 43.1 18.6 44 44 A G T <<5 + 0 0 22 -3,-0.8 -3,-0.2 -4,-0.6 -25,-0.2 0.591 62.9 165.6 118.6 16.1 37.2 39.8 19.1 45 45 A A < - 0 0 10 -5,-2.6 -1,-0.2 1,-0.1 -25,-0.2 -0.393 23.4-157.2 -62.5 135.6 39.7 36.9 19.6 46 46 A D S S- 0 0 22 -27,-2.6 2,-0.3 1,-0.2 -26,-0.2 0.764 72.7 -8.9 -81.9 -34.2 37.8 33.9 20.9 47 47 A A S S- 0 0 2 -28,-0.9 2,-0.4 48,-0.2 -1,-0.2 -0.920 71.8-118.1-155.5 170.2 40.8 32.3 22.4 48 48 A L E - f 0 97B 0 48,-2.2 50,-2.6 -2,-0.3 2,-0.5 -0.961 9.4-164.5-126.3 145.1 44.6 32.8 22.5 49 49 A E E -ef 22 98B 2 -28,-1.9 -26,-1.8 -2,-0.4 2,-0.4 -0.999 22.5-171.3-123.8 113.8 47.6 30.7 21.4 50 50 A L E -ef 23 99B 0 48,-3.0 50,-2.6 -2,-0.5 2,-0.4 -0.948 12.1-143.6-116.4 135.2 50.7 32.1 23.0 51 51 A G E -ef 24 100B 4 -28,-2.5 -26,-2.9 -2,-0.4 50,-0.2 -0.774 4.5-146.2-100.8 140.7 54.3 31.1 22.3 52 52 A V - 0 0 7 48,-1.5 50,-0.2 -2,-0.4 53,-0.1 -0.941 37.6-105.7-102.6 119.1 57.1 30.9 24.8 53 53 A P - 0 0 2 0, 0.0 2,-0.4 0, 0.0 28,-0.1 -0.192 39.8-171.3 -49.2 128.1 60.4 31.9 23.2 54 54 A F - 0 0 1 1,-0.1 494,-0.1 494,-0.0 18,-0.1 -0.963 26.3-130.8-124.3 140.8 62.7 29.0 22.6 55 55 A S S S+ 0 0 38 -2,-0.4 -1,-0.1 1,-0.3 493,-0.1 0.829 100.0 30.1 -58.9 -43.8 66.3 29.3 21.4 56 56 A D - 0 0 3 361,-0.0 2,-2.0 370,-0.0 -1,-0.3 -0.682 68.3-174.9-126.0 77.3 66.1 26.8 18.6 57 57 A P > + 0 0 8 0, 0.0 3,-1.5 0, 0.0 8,-0.1 -0.500 9.7 171.8 -75.3 80.5 62.6 26.7 17.1 58 58 A L T 3 S+ 0 0 3 -2,-2.0 476,-0.0 1,-0.3 3,-0.0 0.445 74.7 50.8 -72.4 -3.6 63.2 23.9 14.6 59 59 A A T 3 S+ 0 0 40 2,-0.1 2,-0.3 213,-0.0 -1,-0.3 0.224 97.7 87.9-116.6 10.9 59.5 23.7 13.7 60 60 A D < - 0 0 35 -3,-1.5 370,-0.1 1,-0.0 0, 0.0 -0.863 66.0-133.6-118.6 149.1 59.1 27.4 13.0 61 61 A G > - 0 0 37 -2,-0.3 4,-2.1 1,-0.0 3,-0.4 -0.193 45.6 -82.5 -85.1 177.7 59.5 29.6 9.9 62 62 A P H > S+ 0 0 87 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.710 123.0 61.4 -56.3 -33.1 61.3 32.9 9.8 63 63 A T H > S+ 0 0 24 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.939 112.4 36.5 -62.8 -48.5 58.3 34.9 11.0 64 64 A I H > S+ 0 0 12 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.815 113.5 58.5 -74.0 -32.7 58.2 33.1 14.3 65 65 A Q H X S+ 0 0 28 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.934 108.2 46.7 -59.4 -47.0 62.0 32.9 14.5 66 66 A N H X S+ 0 0 65 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.862 108.9 54.7 -61.4 -42.8 62.2 36.7 14.3 67 67 A A H X S+ 0 0 0 -4,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.919 107.1 50.8 -58.4 -46.7 59.5 37.0 17.0 68 68 A N H X S+ 0 0 9 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.897 109.1 51.5 -57.3 -45.0 61.6 34.9 19.3 69 69 A L H X S+ 0 0 110 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.861 109.0 50.2 -61.6 -40.3 64.7 37.0 18.7 70 70 A R H X S+ 0 0 37 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.903 112.8 46.7 -63.9 -44.1 62.7 40.2 19.5 71 71 A A H <>S+ 0 0 0 -4,-2.3 5,-2.1 2,-0.2 3,-0.3 0.926 112.3 49.5 -63.3 -48.5 61.4 38.7 22.7 72 72 A F H ><5S+ 0 0 64 -4,-2.9 3,-2.2 1,-0.3 -2,-0.2 0.914 108.8 53.0 -57.6 -46.3 64.9 37.4 23.7 73 73 A A H 3<5S+ 0 0 92 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.801 104.1 56.9 -57.9 -33.2 66.3 40.9 23.0 74 74 A A T 3<5S- 0 0 42 -4,-1.3 -1,-0.3 -3,-0.3 -44,-0.3 0.341 122.9-111.2 -81.1 3.9 63.6 42.3 25.3 75 75 A G T < 5 + 0 0 40 -3,-2.2 2,-0.3 1,-0.2 -3,-0.2 0.699 57.8 167.3 71.0 28.3 65.1 40.0 27.9 76 76 A V < + 0 0 3 -5,-2.1 -1,-0.2 -50,-0.1 -2,-0.0 -0.523 8.1 177.5 -76.7 134.4 62.1 37.6 28.1 77 77 A T > - 0 0 41 -2,-0.3 4,-1.8 1,-0.0 3,-0.4 -0.843 46.8-100.3-129.0 165.2 62.5 34.3 29.9 78 78 A P H > S+ 0 0 21 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.788 124.1 56.2 -57.2 -30.9 60.1 31.4 30.6 79 79 A A H > S+ 0 0 69 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.901 106.0 49.0 -67.6 -43.6 59.7 32.8 34.1 80 80 A Q H > S+ 0 0 67 -3,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.817 106.1 58.1 -64.3 -36.4 58.6 36.2 32.8 81 81 A C H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.893 105.2 49.4 -61.1 -43.3 56.1 34.5 30.5 82 82 A F H X S+ 0 0 16 -4,-1.5 4,-1.2 2,-0.2 -1,-0.2 0.802 109.5 52.9 -67.1 -30.5 54.4 32.9 33.5 83 83 A E H X S+ 0 0 126 -4,-1.2 4,-1.6 2,-0.2 -1,-0.2 0.891 110.5 46.9 -69.2 -42.8 54.3 36.3 35.2 84 84 A M H X S+ 0 0 3 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.888 107.5 56.7 -64.0 -45.2 52.6 37.8 32.1 85 85 A L H X S+ 0 0 2 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.802 105.5 52.0 -57.7 -36.8 50.1 34.9 31.9 86 86 A A H X S+ 0 0 45 -4,-1.2 4,-1.7 2,-0.2 -1,-0.2 0.922 110.4 47.4 -66.2 -46.8 49.1 35.7 35.5 87 87 A L H X S+ 0 0 73 -4,-1.6 4,-1.0 2,-0.2 -2,-0.2 0.836 112.5 50.2 -63.0 -39.6 48.4 39.3 34.6 88 88 A I H >X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 3,-0.8 0.947 111.1 46.8 -63.7 -54.3 46.5 38.3 31.5 89 89 A R H 3< S+ 0 0 23 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.760 106.1 60.6 -59.4 -30.8 44.3 35.9 33.3 90 90 A E H 3< S+ 0 0 156 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.840 113.8 36.1 -65.2 -35.5 43.7 38.5 36.1 91 91 A K H << S+ 0 0 100 -4,-1.0 -2,-0.2 -3,-0.8 -1,-0.2 0.760 125.5 37.9 -86.6 -35.9 42.2 40.8 33.5 92 92 A H < + 0 0 37 -4,-2.1 -1,-0.2 1,-0.1 -2,-0.1 -0.824 63.8 173.5-127.9 89.0 40.4 38.2 31.3 93 93 A P S S+ 0 0 79 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.685 74.7 37.1 -70.4 -28.3 38.9 35.4 33.3 94 94 A T S S+ 0 0 119 2,-0.1 -87,-0.1 -88,-0.0 -88,-0.1 0.658 83.0 107.4-103.9 -20.3 37.0 33.4 30.7 95 95 A I S S- 0 0 15 1,-0.1 2,-0.2 -6,-0.1 -48,-0.2 -0.420 72.6-121.0 -65.6 128.2 39.1 33.5 27.6 96 96 A P - 0 0 2 0, 0.0 -48,-2.2 0, 0.0 2,-0.5 -0.500 27.5-157.9 -70.2 133.8 40.8 30.2 26.9 97 97 A I E -f 48 0B 2 -50,-0.2 27,-3.0 25,-0.2 28,-1.4 -0.986 9.6-174.2-121.5 126.3 44.6 30.4 26.9 98 98 A G E -fg 49 125B 1 -50,-2.6 -48,-3.0 -2,-0.5 2,-0.4 -0.941 12.8-143.8-122.6 142.6 46.8 27.9 25.1 99 99 A L E -fg 50 126B 2 26,-2.2 28,-3.2 -2,-0.4 2,-0.6 -0.876 1.6-151.8-106.8 140.7 50.6 27.6 25.1 100 100 A L E +fg 51 127B 31 -50,-2.6 -48,-1.5 -2,-0.4 2,-0.3 -0.968 33.9 171.0-110.3 110.8 52.7 26.6 22.2 101 101 A M E - g 0 128B 3 26,-3.0 28,-2.5 -2,-0.6 2,-0.4 -0.822 36.4-127.1-120.9 164.1 55.9 25.0 23.6 102 102 A Y >> - 0 0 9 -2,-0.3 3,-1.3 26,-0.2 4,-1.0 -0.868 35.9-116.2-106.8 140.4 59.0 23.1 22.7 103 103 A A H 3> S+ 0 0 0 -2,-0.4 4,-3.1 1,-0.3 3,-0.3 0.747 110.2 62.1 -47.6 -39.2 59.6 19.9 24.7 104 104 A N H 3> S+ 0 0 0 429,-0.4 4,-2.5 1,-0.2 -1,-0.3 0.849 102.1 51.2 -62.0 -36.3 62.8 21.1 26.3 105 105 A L H <4 S+ 0 0 14 -3,-1.3 4,-0.4 2,-0.2 -1,-0.2 0.801 115.5 42.5 -69.3 -31.0 61.0 24.0 28.0 106 106 A V H < S+ 0 0 1 -4,-1.0 8,-0.3 -3,-0.3 3,-0.3 0.868 118.8 43.8 -78.4 -43.1 58.5 21.5 29.4 107 107 A F H >< S+ 0 0 47 -4,-3.1 3,-2.3 1,-0.2 -2,-0.2 0.823 91.2 89.0 -71.8 -36.4 61.0 18.9 30.3 108 108 A N T 3< S+ 0 0 17 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.1 0.736 103.5 17.4 -33.3 -63.8 63.6 21.2 31.9 109 109 A N T 3 S- 0 0 126 -4,-0.4 -1,-0.3 1,-0.3 4,-0.1 0.065 134.5 -62.0-107.6 27.7 62.4 21.3 35.5 110 110 A G <> - 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0 0 15 -5,-2.6 -1,-0.2 -6,-0.2 81,-0.2 -0.656 27.0-173.0 -86.3 146.4 63.5 10.2 -3.4 359 104 B S + 0 0 67 79,-2.1 25,-2.3 -2,-0.3 2,-0.3 0.425 63.0 58.7-118.4 -8.4 65.2 12.4 -5.9 360 105 B E E -st 384 439F 34 78,-1.7 80,-2.4 23,-0.2 2,-0.4 -0.880 64.0-150.6-125.1 155.3 66.6 15.2 -3.7 361 106 B I E -st 385 440F 0 23,-2.7 25,-2.3 -2,-0.3 2,-0.4 -0.985 3.9-165.1-127.3 137.3 69.0 15.1 -0.7 362 107 B I E +st 386 441F 0 78,-2.3 80,-3.5 -2,-0.4 2,-0.3 -0.970 20.7 163.1-118.3 138.5 69.2 17.5 2.3 363 108 B A E -s 387 0F 0 23,-1.3 25,-3.1 -2,-0.4 2,-0.3 -0.983 26.6-145.0-152.4 157.0 72.3 17.5 4.5 364 109 B E E +s 388 0F 0 78,-0.5 2,-0.3 -2,-0.3 25,-0.2 -0.872 20.8 178.2-118.8 157.2 74.0 19.6 7.1 365 110 B T E +s 389 0F 0 23,-1.6 25,-0.6 -2,-0.3 28,-0.1 -0.980 24.5 173.8-157.3 152.0 77.8 19.9 7.6 366 111 B G S S+ 0 0 0 -2,-0.3 192,-0.2 23,-0.1 191,-0.1 0.652 96.0 33.7-121.0 -54.8 80.2 21.8 9.8 367 112 B A S S- 0 0 0 190,-0.2 33,-0.2 189,-0.1 191,-0.1 0.595 105.8-126.0 -75.1 -19.8 83.6 20.3 8.8 368 113 B G S > S+ 0 0 0 286,-0.3 4,-2.3 189,-0.1 5,-0.1 0.388 85.5 108.3 84.2 1.5 82.2 20.0 5.3 369 114 B Q H > S+ 0 0 2 285,-0.4 4,-1.7 2,-0.2 -29,-0.1 0.789 80.2 44.3 -78.2 -33.6 83.1 16.3 5.2 370 115 B H H > S+ 0 0 0 284,-3.1 4,-2.2 2,-0.2 -1,-0.2 0.865 114.9 52.9 -73.2 -38.2 79.5 15.1 5.5 371 116 B G H > S+ 0 0 0 283,-0.6 4,-2.3 2,-0.2 -2,-0.2 0.902 109.8 46.0 -59.3 -49.9 78.8 17.8 2.9 372 117 B V H X S+ 0 0 1 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.899 112.9 49.5 -62.3 -47.3 81.4 16.5 0.5 373 118 B A H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.844 111.1 50.0 -60.7 -39.2 80.4 12.9 1.0 374 119 B S H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.905 111.8 48.8 -65.9 -45.2 76.7 13.8 0.3 375 120 B A H X S+ 0 0 2 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.886 112.8 46.0 -62.0 -44.6 77.7 15.7 -2.8 376 121 B L H X S+ 0 0 4 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.883 113.9 48.2 -68.2 -40.8 79.9 12.9 -4.3 377 122 B A H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.867 113.2 49.5 -66.2 -35.7 77.2 10.3 -3.5 378 123 B S H X>S+ 0 0 3 -4,-2.0 5,-2.5 2,-0.2 4,-1.3 0.861 109.2 50.9 -69.3 -43.1 74.6 12.5 -5.1 379 124 B A H <5S+ 0 0 63 -4,-2.2 3,-0.2 1,-0.2 -2,-0.2 0.929 115.0 44.1 -61.2 -46.1 76.7 13.1 -8.2 380 125 B L H <5S+ 0 0 79 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.800 120.4 37.5 -68.5 -40.6 77.2 9.3 -8.6 381 126 B L H <5S- 0 0 29 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.450 111.7-112.8 -96.3 -2.4 73.6 8.2 -8.0 382 127 B G T <5 + 0 0 59 -4,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.945 63.8 143.9 69.6 56.4 72.0 11.1 -9.8 383 128 B L < - 0 0 16 -5,-2.5 2,-0.4 -8,-0.1 -1,-0.2 -0.877 52.3-117.9-118.9 151.2 70.3 12.9 -6.9 384 129 B K E -s 360 0F 120 -25,-2.3 -23,-2.7 -2,-0.3 2,-0.4 -0.806 36.2-156.6 -91.1 129.2 69.9 16.7 -6.4 385 130 B C E +s 361 0F 10 -2,-0.4 25,-2.7 23,-0.3 2,-0.4 -0.949 20.2 179.2-120.9 130.4 71.8 17.9 -3.3 386 131 B R E -su 362 410F 26 -25,-2.3 -23,-1.3 -2,-0.4 2,-0.4 -0.994 13.8-162.9-126.9 133.1 71.4 20.9 -1.1 387 132 B I E -su 363 411F 0 23,-3.3 25,-3.7 -2,-0.4 2,-0.5 -0.975 10.6-147.7-123.6 129.9 73.6 21.4 1.9 388 133 B Y E +su 364 412F 23 -25,-3.1 -23,-1.6 -2,-0.4 2,-0.4 -0.840 24.1 173.1 -97.3 129.8 73.2 23.6 5.0 389 134 B M E -su 365 413F 0 23,-2.4 25,-2.3 -2,-0.5 -23,-0.1 -0.993 34.8-112.7-141.6 128.2 76.4 25.0 6.4 390 135 B G E > - u 0 414F 0 -25,-0.6 4,-2.1 -2,-0.4 3,-0.4 -0.331 27.8-122.4 -59.3 141.4 76.9 27.6 9.2 391 136 B A H > S+ 0 0 22 23,-3.0 4,-1.1 1,-0.3 -1,-0.1 0.779 113.1 54.8 -55.7 -33.8 78.4 30.8 7.9 392 137 B K H > S+ 0 0 82 27,-1.8 4,-2.4 22,-0.3 -1,-0.3 0.895 110.0 46.0 -67.0 -41.4 81.3 30.4 10.4 393 138 B D H > S+ 0 0 0 26,-0.8 4,-2.3 -3,-0.4 -2,-0.2 0.817 102.7 63.0 -69.9 -37.4 82.1 27.0 9.0 394 139 B V H < S+ 0 0 34 -4,-2.1 7,-0.2 1,-0.2 -1,-0.2 0.865 112.3 40.4 -54.7 -37.8 81.8 28.2 5.4 395 140 B E H >< S+ 0 0 158 -4,-1.1 3,-1.0 -5,-0.2 -2,-0.2 0.942 119.0 40.3 -77.3 -54.2 84.8 30.4 6.4 396 141 B R H 3< S+ 0 0 31 -4,-2.4 245,-0.3 1,-0.2 -2,-0.2 0.592 125.0 37.0 -77.5 -13.3 86.9 28.1 8.5 397 142 B Q T >X S+ 0 0 3 -4,-2.3 3,-1.9 -5,-0.2 4,-0.5 -0.092 77.5 142.8-125.8 33.7 86.4 24.9 6.4 398 143 B S H X> + 0 0 40 -3,-1.0 4,-1.5 1,-0.3 3,-1.3 0.730 58.5 66.0 -46.8 -43.7 86.5 26.8 3.1 399 144 B P H 3> S+ 0 0 29 0, 0.0 4,-1.5 0, 0.0 -1,-0.3 0.832 101.1 53.3 -50.8 -35.2 88.3 24.2 1.0 400 145 B N H <> S+ 0 0 2 -3,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.768 100.7 59.5 -74.4 -26.6 85.3 21.9 1.5 401 146 B V H S+ 0 0 0 -4,-2.0 5,-2.1 1,-0.2 3,-0.4 0.922 113.3 47.0 -62.4 -48.6 81.0 20.7 -2.7 405 150 B R H ><5S+ 0 0 130 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.893 107.7 56.0 -62.5 -41.8 80.2 23.3 -5.3 406 151 B L H 3<5S+ 0 0 153 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.781 103.9 54.9 -61.9 -30.3 82.5 21.7 -7.9 407 152 B M T 3<5S- 0 0 66 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.336 124.9-102.8 -87.4 6.0 80.5 18.5 -7.6 408 153 B G T < 5S+ 0 0 67 -3,-1.9 -23,-0.3 1,-0.3 2,-0.2 0.603 72.6 142.5 84.6 19.1 77.2 20.3 -8.3 409 154 B A < - 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0 0 0 -80,-3.5 -78,-0.5 -2,-0.8 2,-0.1 -0.702 13.3-157.2 -92.0 81.9 70.8 12.6 4.9 443 188 B L - 0 0 1 -2,-1.4 -94,-0.1 -80,-0.1 -80,-0.1 -0.428 8.2-141.7 -63.5 130.6 71.6 13.2 8.6 444 189 B G + 0 0 1 -2,-0.1 2,-0.3 -80,-0.1 -1,-0.1 0.398 68.3 31.1 -78.1 -4.7 75.3 13.4 9.1 445 190 B T S S- 0 0 6 2,-0.2 2,-1.5 43,-0.1 11,-0.2 -0.886 89.4 -88.7-148.3 174.2 75.8 11.7 12.4 446 191 B A S S+ 0 0 7 -2,-0.3 121,-0.3 10,-0.1 2,-0.2 -0.427 98.1 82.2 -84.4 55.7 74.6 9.0 14.8 447 192 B A + 0 0 0 -2,-1.5 -2,-0.2 118,-0.2 9,-0.1 -0.732 53.9 65.4-142.0-173.4 72.2 11.5 16.5 448 193 B G S S- 0 0 0 -2,-0.2 88,-0.2 86,-0.2 90,-0.1 -0.280 92.3 -18.3 84.4-168.8 68.7 12.9 15.8 449 194 B P S > S- 0 0 1 0, 0.0 3,-2.2 0, 0.0 -179,-0.2 -0.285 89.9 -60.5 -72.1 151.6 65.5 11.0 15.8 450 195 B H T 3 S+ 0 0 4 -181,-2.2 -166,-0.1 86,-0.3 -170,-0.0 -0.424 118.3 34.6 -59.7 139.8 65.2 7.2 15.5 451 196 B P T 3> S+ 0 0 1 0, 0.0 4,-2.5 0, 0.0 3,-0.5 -0.956 104.6 72.3 -97.2 15.7 66.1 5.5 13.2 452 197 B Y H <> S+ 0 0 0 -3,-2.2 4,-3.0 1,-0.2 5,-0.4 0.897 94.2 52.9 -54.2 -53.1 69.2 7.7 12.5 453 198 B P H > S+ 0 0 6 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.849 116.8 42.3 -51.8 -38.8 71.4 6.8 15.5 454 199 B T H > S+ 0 0 12 -3,-0.5 4,-2.1 2,-0.2 -2,-0.2 0.888 115.2 47.1 -73.2 -48.8 70.8 3.1 14.5 455 200 B I H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -3,-0.2 0.918 112.1 49.6 -61.0 -50.3 71.2 3.4 10.7 456 201 B V H < S+ 0 0 0 -4,-3.0 -1,-0.2 2,-0.2 -2,-0.2 0.852 111.4 50.4 -61.1 -36.1 74.4 5.5 11.0 457 202 B R H >X S+ 0 0 38 -4,-1.1 3,-1.4 -5,-0.4 4,-1.0 0.928 111.7 46.8 -66.4 -47.5 75.9 3.0 13.4 458 203 B E H 3< S+ 0 0 45 -4,-2.1 3,-0.3 1,-0.3 -2,-0.2 0.851 112.4 50.1 -64.3 -34.5 75.2 0.1 11.1 459 204 B F T 3< S+ 0 0 1 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.261 116.8 41.6 -87.5 9.0 76.5 1.9 8.1 460 205 B Q T X4 S+ 0 0 0 -3,-1.4 3,-1.9 -5,-0.1 4,-0.4 0.354 83.8 101.8-128.6 -7.4 79.8 2.8 10.0 461 206 B R T 3X + 0 0 66 -4,-1.0 4,-1.7 1,-0.3 3,-0.3 0.615 64.8 74.5 -50.7 -30.5 80.2 -0.6 11.7 462 207 B M H 3> S+ 0 0 23 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.733 82.9 69.4 -62.9 -26.9 82.9 -1.7 9.2 463 208 B I H <> S+ 0 0 0 -3,-1.9 4,-2.2 1,-0.2 32,-0.2 0.959 108.7 33.3 -54.7 -56.0 85.4 0.6 10.8 464 209 B G H > S+ 0 0 0 30,-1.8 4,-2.5 -4,-0.4 -1,-0.2 0.829 115.6 57.6 -71.2 -36.9 85.6 -1.5 14.0 465 210 B E H X S+ 0 0 89 -4,-1.7 4,-1.6 29,-0.3 -1,-0.2 0.913 111.8 41.9 -60.9 -45.3 85.0 -4.8 12.2 466 211 B E H X S+ 0 0 36 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.937 111.5 55.4 -66.1 -49.5 88.1 -4.2 10.0 467 212 B T H X S+ 0 0 0 -4,-2.2 4,-3.3 -5,-0.3 5,-0.3 0.902 107.2 50.8 -50.0 -47.2 90.2 -2.9 12.9 468 213 B K H X S+ 0 0 43 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.922 113.0 44.3 -59.2 -48.2 89.5 -6.1 14.9 469 214 B A H X S+ 0 0 65 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.898 116.9 47.2 -62.6 -43.6 90.6 -8.3 12.0 470 215 B Q H X S+ 0 0 36 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.903 112.7 46.4 -65.1 -48.5 93.6 -6.2 11.3 471 216 B I H X>S+ 0 0 0 -4,-3.3 4,-3.7 -5,-0.2 5,-0.7 0.890 112.4 51.2 -64.9 -39.8 94.9 -5.9 14.9 472 217 B L H X5S+ 0 0 74 -4,-2.1 4,-1.2 -5,-0.3 -1,-0.2 0.885 111.7 48.1 -63.6 -41.2 94.4 -9.6 15.4 473 218 B D H <5S+ 0 0 135 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.922 121.8 34.3 -64.4 -47.5 96.4 -10.3 12.3 474 219 B K H <5S+ 0 0 98 -4,-2.5 -2,-0.2 1,-0.1 -3,-0.2 0.861 136.5 18.4 -78.1 -41.9 99.2 -7.9 13.2 475 220 B E H <5S- 0 0 66 -4,-3.7 -3,-0.2 2,-0.2 -2,-0.2 0.552 88.2-131.1-110.6 -14.0 99.4 -8.3 17.0 476 221 B G S < S+ 0 0 0 75,-0.2 4,-2.1 -4,-0.1 5,-0.2 0.469 78.4 120.2 115.4 7.8 79.1 10.2 17.6 490 235 B S H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.925 78.3 42.1 -68.5 -54.4 79.3 8.5 14.2 491 236 B N H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.890 117.3 49.6 -63.1 -38.9 83.1 7.7 13.9 492 237 B A H > S+ 0 0 0 -7,-0.4 4,-3.6 1,-0.2 -2,-0.2 0.948 112.6 44.8 -63.4 -51.1 83.3 6.5 17.5 493 238 B I H X S+ 0 0 3 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.860 110.5 55.4 -62.4 -35.3 80.2 4.2 17.4 494 239 B G H < S+ 0 0 0 -4,-2.1 -30,-1.8 -5,-0.2 4,-0.4 0.906 115.5 39.3 -63.0 -39.3 81.5 2.8 14.0 495 240 B M H < S+ 0 0 0 -4,-1.9 3,-0.3 -32,-0.2 4,-0.3 0.928 120.7 44.7 -75.0 -45.2 84.8 1.9 15.7 496 241 B F H >X S+ 0 0 0 -4,-3.6 3,-2.3 1,-0.2 4,-0.8 0.822 91.1 81.0 -68.5 -42.4 83.2 0.8 19.0 497 242 B A G >< S+ 0 0 7 -4,-2.9 3,-0.9 1,-0.3 4,-0.3 0.795 94.0 44.7 -36.2 -55.4 80.3 -1.3 17.8 498 243 B D G 34 S+ 0 0 39 -4,-0.4 -1,-0.3 -3,-0.3 3,-0.2 0.627 114.7 50.0 -71.3 -14.7 82.2 -4.5 17.1 499 244 B F G X4 S+ 0 0 0 -3,-2.3 3,-2.0 -4,-0.3 6,-0.3 0.460 79.0 98.2-101.0 -7.8 84.2 -4.3 20.4 500 245 B I T << S+ 0 0 38 -3,-0.9 -1,-0.1 -4,-0.8 -2,-0.1 0.841 87.4 44.6 -51.6 -44.1 81.2 -3.8 22.7 501 246 B N T 3 S+ 0 0 147 -4,-0.3 2,-1.2 -3,-0.2 -1,-0.3 0.463 93.2 87.3 -80.1 -5.1 81.0 -7.4 23.8 502 247 B D X - 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