==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE, LYASE 01-APR-03 1OX4 . COMPND 2 MOLECULE: IMIDAZOLE GLYCEROL PHOSPHATE SYNTHASE HISHF; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR B.N.CHAUDHURI,J.L.SMITH . 1072 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42216.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 749 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 124 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 96 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.6 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 . 85 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 115 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 258 24.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 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 4 0 0 2 0 10 8 4 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 8 8 4 2 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 . 4 8 2 2 2 2 2 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 . 8 2 2 0 0 0 2 2 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 -3 A G 0 0 37 0, 0.0 5,-0.1 0, 0.0 1007,-0.0 0.000 360.0 360.0 360.0 -17.8 82.5 48.8 1.9 2 -2 A S + 0 0 9 3,-0.1 1002,-0.1 1005,-0.0 4,-0.1 0.177 360.0 95.5-167.4 -6.7 80.2 51.4 3.5 3 -1 A H S S+ 0 0 8 1004,-0.1 930,-0.2 1,-0.1 1004,-0.1 0.567 100.3 19.8 -76.3 -3.6 76.8 50.2 2.4 4 1 A M S S- 0 0 47 1002,-0.1 995,-0.1 1000,-0.1 -1,-0.1 -0.977 101.5 -81.7-156.4 153.1 76.6 48.4 5.8 5 2 A P - 0 0 9 0, 0.0 25,-2.0 0, 0.0 2,-0.5 -0.237 50.6-132.0 -55.0 143.4 78.3 48.7 9.2 6 3 A V E -a 30 0A 21 23,-0.2 2,-0.5 -5,-0.1 41,-0.4 -0.863 15.9-160.5-109.6 139.7 81.6 46.9 9.0 7 4 A V E -a 31 0A 0 23,-2.9 25,-3.2 -2,-0.5 2,-0.5 -0.955 9.2-149.5-114.1 124.6 82.9 44.4 11.6 8 5 A H E -ab 32 48A 20 39,-3.0 41,-2.4 -2,-0.5 2,-0.5 -0.826 11.2-165.5 -96.1 127.4 86.6 43.7 11.8 9 6 A V E -ab 33 49A 0 23,-2.3 25,-2.3 -2,-0.5 2,-0.7 -0.955 18.7-133.2-116.9 117.3 87.4 40.2 13.0 10 7 A I E -a 34 0A 1 39,-2.2 2,-0.6 -2,-0.5 25,-0.2 -0.579 27.5-168.2 -71.8 111.6 91.0 39.4 14.0 11 8 A D + 0 0 10 23,-1.1 41,-0.1 -2,-0.7 -1,-0.0 -0.903 25.4 178.0-109.2 112.6 91.8 36.1 12.3 12 9 A V - 0 0 10 -2,-0.6 -1,-0.1 39,-0.2 23,-0.1 0.348 53.2-119.1 -89.2 5.9 94.9 34.3 13.3 13 10 A E S S+ 0 0 77 1,-0.1 2,-0.3 2,-0.0 -2,-0.1 0.949 75.7 114.7 55.2 59.0 93.8 31.7 10.8 14 11 A S + 0 0 35 1,-0.1 39,-0.3 326,-0.1 -2,-0.2 -0.848 64.2 1.2-156.7 114.4 93.4 28.7 13.1 15 12 A G S S- 0 0 6 -2,-0.3 2,-0.7 322,-0.2 -1,-0.1 -0.368 101.7 -30.1 101.9 177.8 90.1 27.0 13.9 16 13 A N + 0 0 18 1,-0.2 4,-0.2 328,-0.1 325,-0.2 -0.626 54.8 154.9 -78.4 112.5 86.5 27.5 12.9 17 14 A L > + 0 0 26 -2,-0.7 4,-2.1 324,-0.2 5,-0.2 0.350 53.5 90.8-115.3 0.1 85.7 31.1 12.0 18 15 A Q H > S+ 0 0 45 322,-0.3 4,-3.0 1,-0.2 5,-0.2 0.929 85.4 49.9 -59.8 -51.6 82.8 30.2 9.7 19 16 A S H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.916 110.9 47.4 -57.0 -50.2 80.2 30.4 12.4 20 17 A L H > S+ 0 0 0 -4,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.957 116.1 43.8 -59.9 -50.9 81.3 33.8 13.8 21 18 A T H X S+ 0 0 18 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.915 114.3 50.0 -61.4 -42.7 81.5 35.4 10.3 22 19 A N H X S+ 0 0 16 -4,-3.0 4,-2.8 -5,-0.2 -1,-0.2 0.871 110.0 51.7 -64.0 -36.5 78.2 33.8 9.2 23 20 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.957 111.0 46.7 -64.1 -50.3 76.5 35.0 12.4 24 21 A I H <>S+ 0 0 0 -4,-2.4 5,-1.8 2,-0.2 -2,-0.2 0.924 115.2 45.8 -57.5 -47.8 77.7 38.6 11.9 25 22 A E H ><5S+ 0 0 101 -4,-2.6 3,-2.9 1,-0.2 -1,-0.2 0.952 109.2 55.3 -60.5 -49.2 76.6 38.6 8.2 26 23 A H H 3<5S+ 0 0 120 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.828 102.8 57.7 -53.1 -32.5 73.3 37.0 9.1 27 24 A L T 3<5S- 0 0 30 -4,-1.8 -1,-0.3 -3,-0.2 -2,-0.2 0.441 130.9 -95.2 -80.0 2.6 72.8 40.0 11.5 28 25 A G T < 5S+ 0 0 44 -3,-2.9 2,-0.3 1,-0.3 -3,-0.2 0.703 84.1 126.1 93.5 23.5 73.2 42.4 8.6 29 26 A Y < - 0 0 20 -5,-1.8 2,-0.5 -4,-0.2 -1,-0.3 -0.808 56.7-127.3-116.6 154.9 76.9 43.2 8.9 30 27 A E E -a 6 0A 48 -25,-2.0 -23,-2.9 -2,-0.3 2,-0.5 -0.848 26.8-137.9 -98.1 134.0 79.9 43.0 6.5 31 28 A V E -a 7 0A 27 -2,-0.5 2,-0.6 -25,-0.2 -23,-0.2 -0.813 16.3-170.9 -98.4 128.1 82.8 41.1 7.8 32 29 A Q E -a 8 0A 82 -25,-3.2 -23,-2.3 -2,-0.5 2,-0.2 -0.954 17.0-145.1-116.8 111.4 86.3 42.4 7.3 33 30 A L E -a 9 0A 53 -2,-0.6 2,-0.4 -25,-0.2 -23,-0.2 -0.476 6.1-158.1 -76.4 147.3 89.0 39.9 8.3 34 31 A V E +a 10 0A 0 -25,-2.3 -23,-1.1 -2,-0.2 6,-0.1 -0.812 25.9 158.2-128.5 88.6 92.3 41.1 9.9 35 32 A K S S+ 0 0 66 -2,-0.4 -1,-0.1 -25,-0.2 -25,-0.1 0.642 74.7 25.9 -83.4 -16.4 95.0 38.5 9.5 36 33 A S S > S- 0 0 35 -3,-0.1 3,-2.6 31,-0.0 -1,-0.1 -0.982 84.0-112.1-145.3 152.4 97.7 41.2 9.9 37 34 A P G > S+ 0 0 36 0, 0.0 3,-0.9 0, 0.0 30,-0.1 0.705 115.6 67.8 -58.5 -17.1 97.9 44.6 11.7 38 35 A K G 3 S+ 0 0 191 1,-0.2 -4,-0.0 3,-0.0 3,-0.0 0.674 85.0 72.3 -75.1 -17.1 98.2 46.1 8.1 39 36 A D G < S+ 0 0 69 -3,-2.6 2,-0.3 1,-0.0 -1,-0.2 0.332 105.0 21.6 -83.1 7.5 94.6 45.0 7.5 40 37 A F < - 0 0 24 -3,-0.9 2,-0.3 -4,-0.1 3,-0.1 -0.985 59.8-148.0-166.8 159.4 93.0 47.7 9.7 41 38 A N > - 0 0 84 -2,-0.3 4,-0.6 1,-0.2 3,-0.5 -0.989 29.1-115.0-136.8 146.1 93.5 51.1 11.4 42 39 A I T >4 S+ 0 0 45 -2,-0.3 3,-2.1 1,-0.2 -1,-0.2 0.900 112.4 40.4 -40.3 -70.8 92.2 52.5 14.7 43 40 A S T 34 S+ 0 0 30 1,-0.3 -1,-0.2 -3,-0.1 987,-0.1 0.766 114.4 54.8 -56.0 -29.5 90.0 55.4 13.3 44 41 A G T 34 S+ 0 0 39 -3,-0.5 2,-0.5 988,-0.0 -1,-0.3 0.455 96.9 78.1 -86.1 1.1 88.7 53.2 10.5 45 42 A T << + 0 0 1 -3,-2.1 3,-0.1 -4,-0.6 -38,-0.1 -0.944 41.5 161.6-115.7 122.6 87.5 50.5 12.8 46 43 A S S S+ 0 0 8 -2,-0.5 2,-0.4 -40,-0.4 -1,-0.1 0.645 72.7 36.6-109.6 -22.3 84.3 50.8 14.8 47 44 A R - 0 0 10 -41,-0.4 -39,-3.0 33,-0.1 2,-0.5 -0.916 66.2-179.4-138.0 109.6 83.6 47.2 15.8 48 45 A L E -bc 8 82A 0 33,-1.8 35,-2.8 -2,-0.4 2,-0.5 -0.931 4.8-170.5-114.8 128.4 86.4 44.8 16.6 49 46 A I E -bc 9 83A 0 -41,-2.4 -39,-2.2 -2,-0.5 35,-0.2 -0.966 8.0-162.3-119.7 128.3 86.0 41.1 17.6 50 47 A L E - c 0 84A 3 33,-4.0 35,-2.3 -2,-0.5 2,-0.2 -0.780 16.6-177.5-110.9 85.1 88.8 39.0 19.0 51 48 A P E + c 0 85A 14 0, 0.0 2,-0.3 0, 0.0 -39,-0.2 -0.561 4.7 176.8 -82.3 145.8 87.7 35.3 18.6 52 49 A G E + c 0 86A 4 33,-1.6 35,-2.8 -2,-0.2 36,-0.4 -0.955 13.0 174.0-156.9 135.1 90.0 32.6 19.9 53 50 A V + 0 0 53 -2,-0.3 328,-0.1 -39,-0.3 2,-0.1 -0.914 45.7 26.8-132.7 157.3 90.0 28.8 20.2 54 51 A G S S+ 0 0 5 326,-0.5 326,-0.2 -2,-0.3 327,-0.1 -0.344 96.3 3.3 95.0-172.8 92.6 26.3 21.4 55 52 A N > - 0 0 39 324,-1.3 4,-2.3 323,-0.2 5,-0.2 -0.283 64.3-130.9 -55.8 131.4 95.7 26.2 23.6 56 53 A Y H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.915 105.0 43.2 -51.1 -55.9 96.2 29.6 25.4 57 54 A G H > S+ 0 0 2 2,-0.2 4,-3.6 1,-0.2 5,-0.4 0.926 110.3 57.2 -58.4 -46.9 99.9 30.0 24.6 58 55 A H H > S+ 0 0 75 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.939 113.4 39.5 -46.8 -56.7 99.3 28.9 21.0 59 56 A F H X S+ 0 0 6 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.869 118.7 45.9 -64.6 -42.5 96.8 31.7 20.4 60 57 A V H X S+ 0 0 4 -4,-2.6 4,-2.5 -5,-0.2 5,-0.3 0.836 113.0 49.7 -73.8 -32.6 98.6 34.3 22.4 61 58 A D H X S+ 0 0 88 -4,-3.6 4,-3.1 -5,-0.2 5,-0.3 0.982 114.3 45.5 -65.6 -56.1 102.0 33.5 20.8 62 59 A N H X S+ 0 0 33 -4,-2.4 4,-1.6 -5,-0.4 -2,-0.2 0.945 116.4 45.9 -48.8 -57.6 100.4 33.7 17.4 63 60 A L H ><>S+ 0 0 0 -4,-2.7 5,-1.6 1,-0.2 3,-0.7 0.951 117.4 40.7 -52.6 -61.5 98.5 36.9 18.2 64 61 A F H ><5S+ 0 0 41 -4,-2.5 3,-1.5 1,-0.2 5,-0.3 0.838 111.2 57.4 -60.3 -35.7 101.4 38.8 19.8 65 62 A N H 3<5S+ 0 0 136 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.805 101.5 56.0 -66.7 -29.6 104.0 37.6 17.2 66 63 A R T <<5S- 0 0 78 -4,-1.6 -1,-0.3 -3,-0.7 -2,-0.2 0.379 122.2-110.1 -82.1 4.1 101.9 39.0 14.4 67 64 A G T < 5S+ 0 0 37 -3,-1.5 -3,-0.2 -5,-0.1 3,-0.2 0.725 76.7 133.2 77.4 25.1 102.2 42.4 16.2 68 65 A F >< + 0 0 0 -5,-1.6 4,-2.9 1,-0.2 5,-0.3 0.637 50.6 82.6 -82.3 -13.3 98.6 42.7 17.4 69 66 A E H > S+ 0 0 63 -5,-0.3 4,-2.6 -6,-0.2 5,-0.2 0.957 97.1 37.4 -55.7 -57.4 99.4 43.7 21.0 70 67 A K H > S+ 0 0 149 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.932 117.8 50.5 -62.8 -45.7 100.0 47.4 20.4 71 68 A P H > S+ 0 0 25 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.919 113.3 47.3 -58.8 -41.4 97.2 47.7 17.8 72 69 A I H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.928 112.7 47.3 -65.6 -46.8 94.8 46.1 20.2 73 70 A R H X S+ 0 0 70 -4,-2.6 4,-2.4 -5,-0.3 -1,-0.2 0.931 113.0 49.5 -61.1 -44.8 95.8 48.2 23.2 74 71 A E H X S+ 0 0 94 -4,-2.9 4,-1.4 2,-0.2 -1,-0.2 0.912 110.1 50.8 -60.4 -42.8 95.6 51.4 21.1 75 72 A Y H ><>S+ 0 0 0 -4,-2.3 5,-0.9 -5,-0.3 3,-0.6 0.942 110.6 49.0 -59.8 -46.6 92.1 50.4 19.8 76 73 A I H ><5S+ 0 0 13 -4,-2.5 3,-1.3 1,-0.3 -1,-0.2 0.882 109.8 52.0 -60.6 -37.9 91.0 49.8 23.4 77 74 A E H 3<5S+ 0 0 148 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.751 95.1 70.2 -71.3 -22.1 92.4 53.2 24.4 78 75 A S T <<5S- 0 0 47 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.658 109.1-125.7 -68.4 -12.9 90.5 54.7 21.5 79 76 A G T < 5 + 0 0 43 -3,-1.3 -3,-0.1 -4,-0.4 -2,-0.1 0.450 64.1 136.2 83.0 1.1 87.4 54.0 23.6 80 77 A K < - 0 0 29 -5,-0.9 -1,-0.3 1,-0.1 -2,-0.1 -0.513 62.4 -81.2 -85.3 152.0 85.7 52.0 20.8 81 78 A P + 0 0 13 0, 0.0 -33,-1.8 0, 0.0 2,-0.4 -0.183 46.6 175.9 -54.2 127.6 83.9 48.7 21.2 82 79 A I E -cd 48 190A 7 107,-2.1 109,-1.9 -35,-0.2 2,-0.5 -0.996 11.9-159.6-135.2 139.6 85.8 45.4 21.3 83 80 A M E -cd 49 191A 0 -35,-2.8 -33,-4.0 -2,-0.4 2,-0.4 -0.973 1.6-161.7-125.1 124.6 84.5 41.9 21.9 84 81 A G E -cd 50 192A 5 107,-2.5 109,-2.5 -2,-0.5 2,-0.5 -0.858 7.2-160.0-103.8 137.5 86.6 38.9 23.0 85 82 A I E > -cd 51 193A 0 -35,-2.3 3,-2.3 -2,-0.4 -33,-1.6 -0.966 54.3 -48.2-124.6 123.1 85.4 35.4 22.5 86 83 A C E >> S+c 52 0A 7 107,-2.7 4,-2.1 -2,-0.5 3,-0.5 -0.441 142.3 16.6 59.6 -99.2 86.6 32.3 24.4 87 84 A V H 3> S+ 0 0 2 -35,-2.8 4,-2.8 -2,-0.8 -1,-0.3 0.784 123.6 64.8 -71.9 -21.9 90.4 32.6 24.2 88 85 A G H <4 S+ 0 0 0 -3,-2.3 -1,-0.2 -36,-0.4 4,-0.2 0.842 105.8 44.1 -65.0 -32.1 89.8 36.2 23.2 89 86 A L H X4 S+ 0 0 0 -3,-0.5 3,-1.8 104,-0.4 -2,-0.2 0.921 112.7 50.0 -76.2 -46.0 88.4 36.6 26.7 90 87 A Q H >< S+ 0 0 7 -4,-2.1 3,-2.4 1,-0.3 -2,-0.2 0.863 99.2 67.4 -61.0 -34.8 91.2 34.7 28.3 91 88 A A T 3< S+ 0 0 2 -4,-2.8 14,-3.0 1,-0.3 15,-0.4 0.674 89.2 66.6 -60.0 -16.7 93.7 36.9 26.4 92 89 A L T < S+ 0 0 7 -3,-1.8 15,-2.1 -4,-0.2 16,-1.8 0.579 93.5 78.6 -80.3 -10.0 92.5 39.8 28.6 93 90 A F E < S-h 108 0B 0 -3,-2.4 13,-2.0 13,-0.2 16,-0.2 -0.269 98.3 -98.3 -92.5-179.6 94.0 38.1 31.7 94 91 A A E S- 0 0 20 16,-1.5 10,-1.6 14,-0.9 2,-0.3 0.756 84.7 -71.8 -69.4 -25.8 97.5 37.8 33.1 95 92 A G E -h 111 0B 0 15,-0.6 17,-2.3 8,-0.3 2,-0.3 -0.985 47.1 -92.8 161.7-163.7 97.9 34.4 31.6 96 93 A S E > -hI 112 99B 0 3,-0.5 3,-2.2 -2,-0.3 6,-0.3 -0.979 14.5-135.5-151.4 135.0 96.8 30.8 31.9 97 94 A V T 3 S+ 0 0 77 15,-2.6 16,-0.1 -2,-0.3 4,-0.1 0.756 102.8 77.0 -58.5 -22.7 98.1 27.7 33.6 98 95 A E T 3 S+ 0 0 38 1,-0.3 -1,-0.3 14,-0.3 15,-0.1 0.831 113.3 20.2 -56.2 -31.3 97.3 25.9 30.4 99 96 A S B X S-I 96 0B 14 -3,-2.2 3,-2.2 1,-0.1 -3,-0.5 -0.705 78.3-170.6-140.6 80.8 100.5 27.5 29.0 100 97 A P T 3 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.822 84.4 51.6 -39.5 -50.2 102.6 28.5 32.1 101 98 A K T 3 S+ 0 0 218 -4,-0.1 -4,-0.1 -6,-0.1 -2,-0.0 0.648 91.0 105.2 -68.7 -16.9 105.1 30.6 30.1 102 99 A S < - 0 0 13 -3,-2.2 2,-0.4 -6,-0.3 -6,-0.2 -0.202 53.2-156.9 -67.7 156.6 102.4 32.7 28.3 103 100 A T - 0 0 87 -8,-0.1 -8,-0.3 -46,-0.1 -9,-0.1 -0.994 7.2-157.4-134.0 138.8 101.5 36.3 29.0 104 101 A G - 0 0 5 -10,-1.6 -12,-0.2 -2,-0.4 -10,-0.1 -0.231 42.6 -86.4-104.2-165.3 98.2 38.1 28.3 105 102 A L - 0 0 4 -14,-3.0 -11,-0.2 -12,-0.2 -13,-0.2 0.677 56.5-146.4 -74.0 -17.4 97.1 41.6 27.9 106 103 A N + 0 0 85 -13,-2.0 -13,-0.2 -15,-0.4 -12,-0.2 0.816 52.7 140.3 56.2 38.5 96.8 41.6 31.6 107 104 A Y S S+ 0 0 60 -15,-2.1 2,-0.5 1,-0.3 -14,-0.2 0.784 79.0 44.2 -75.5 -25.7 93.7 43.9 31.9 108 105 A I E S-h 93 0B 3 -16,-1.8 2,-1.7 2,-0.1 -14,-0.9 -0.981 92.8-137.7-119.3 116.7 92.7 41.5 34.6 109 106 A D E + 0 0 126 -2,-0.5 2,-0.3 -16,-0.2 -16,-0.1 -0.291 70.0 66.1 -79.7 56.2 95.6 40.7 36.9 110 107 A F E S- 0 0 28 -2,-1.7 -16,-1.5 -15,-0.1 -15,-0.6 -0.969 74.9-108.2-162.4 158.1 95.2 36.9 37.5 111 108 A K E -h 95 0B 99 -2,-0.3 -15,-0.3 -17,-0.2 2,-0.2 -0.579 26.7-109.0 -96.9 158.5 95.5 33.8 35.5 112 109 A L E -h 96 0B 2 -17,-2.3 -15,-2.6 -2,-0.2 -14,-0.3 -0.590 38.0-163.0 -80.0 141.5 93.0 31.2 34.3 113 110 A S E -J 153 0C 48 40,-2.4 40,-2.7 -2,-0.2 2,-0.2 -0.822 23.5 -91.7-124.2 163.9 93.2 27.9 36.0 114 111 A R E -J 152 0C 103 -2,-0.3 38,-0.2 38,-0.2 37,-0.0 -0.486 43.0-106.3 -78.4 142.4 91.9 24.4 35.2 115 112 A F - 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0 0 0 28,-0.4 28,-2.1 -2,-0.3 2,-0.3 -0.753 51.5-158.1 -92.4 86.8 88.7 32.5 35.4 155 152 A I B -E 181 0A 28 -2,-1.4 26,-0.3 26,-0.2 2,-0.2 -0.540 10.4-143.6 -73.4 128.4 87.7 30.7 38.6 156 153 A L + 0 0 16 24,-2.6 24,-0.5 -2,-0.3 2,-0.3 -0.599 25.0 173.6-101.3 155.4 86.3 33.0 41.2 157 154 A N > - 0 0 69 -2,-0.2 4,-2.0 22,-0.1 3,-0.3 -0.889 53.3 -89.1-142.6 167.8 86.4 33.4 45.0 158 155 A S H > S+ 0 0 70 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.877 123.5 53.8 -49.4 -44.3 85.1 36.3 47.1 159 156 A E H > S+ 0 0 133 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.925 109.3 45.8 -60.3 -47.0 88.4 38.1 47.0 160 157 A K H > S+ 0 0 62 -3,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.871 111.4 52.0 -65.9 -37.8 88.7 38.2 43.2 161 158 A K H X S+ 0 0 65 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.894 111.4 48.3 -65.8 -38.4 85.0 39.3 42.7 162 159 A K H X S+ 0 0 116 -4,-2.1 4,-2.5 -5,-0.2 5,-0.2 0.934 111.9 47.8 -66.9 -47.0 85.6 42.2 45.2 163 160 A N H X S+ 0 0 81 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.946 112.4 50.2 -59.0 -46.3 88.8 43.3 43.5 164 161 A L H <>S+ 0 0 10 -4,-2.6 5,-2.9 1,-0.2 -1,-0.2 0.919 110.6 49.2 -56.2 -47.6 87.1 43.1 40.1 165 162 A E H ><5S+ 0 0 112 -4,-2.3 3,-1.2 1,-0.2 -1,-0.2 0.908 113.6 46.2 -59.7 -42.7 84.1 45.2 41.4 166 163 A N H 3<5S+ 0 0 131 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.781 106.5 58.7 -71.3 -25.6 86.4 47.8 42.8 167 164 A D T 3<5S- 0 0 87 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.465 122.8-110.3 -79.9 -1.1 88.4 47.8 39.6 168 165 A G T < 5 + 0 0 46 -3,-1.2 2,-0.3 1,-0.3 20,-0.3 0.656 69.1 145.9 82.3 16.0 85.1 48.8 37.9 169 166 A W < - 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V 0 972P 7 -35,-1.0 -35,-0.4 7,-0.2 2,-0.2 -0.830 3.0-163.0-128.3 166.3 60.4 54.0 4.4 966 440 B I E >> + V 0 971P 2 5,-2.2 5,-1.6 -2,-0.3 4,-1.1 -0.793 62.2 46.7-138.4-179.5 57.8 56.0 6.4 967 441 B K T >45S- 0 0 98 1,-0.3 3,-1.5 -2,-0.2 -1,-0.2 0.938 138.4 -40.8 44.6 62.3 56.4 56.1 9.9 968 442 B G T 345S- 0 0 72 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.816 109.7 -60.5 58.7 33.6 59.9 55.9 11.5 969 443 B G T 345S+ 0 0 31 2,-0.2 -1,-0.3 -3,-0.1 -2,-0.2 0.648 109.5 120.4 71.2 15.2 61.1 53.4 9.0 970 444 B R T <<5S+ 0 0 224 -3,-1.5 2,-0.4 -4,-1.1 -3,-0.2 0.759 70.3 44.3 -81.0 -25.1 58.4 50.9 10.1 971 445 B E E -V 963 0P 1 -2,-0.4 4,-2.5 -13,-0.2 -13,-0.2 -0.530 24.5-119.8 -88.7 159.9 63.3 54.7 -4.7 977 451 B V H > S+ 0 0 0 -15,-1.9 4,-2.6 1,-0.2 5,-0.3 0.829 115.6 60.2 -66.7 -29.5 65.3 57.5 -3.1 978 452 B W H > S+ 0 0 47 -16,-0.3 4,-1.5 -33,-0.2 -1,-0.2 0.939 111.2 38.5 -61.3 -47.0 66.2 58.6 -6.6 979 453 B E H > S+ 0 0 27 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.867 115.8 53.1 -72.2 -38.0 62.5 59.1 -7.4 980 454 B L H X S+ 0 0 3 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.953 111.1 43.2 -64.2 -51.5 61.6 60.5 -4.0 981 455 B T H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.894 113.2 51.9 -63.3 -41.3 64.2 63.2 -3.9 982 456 B R H X S+ 0 0 108 -4,-1.5 4,-2.1 -5,-0.3 -1,-0.2 0.890 112.0 47.0 -63.4 -38.5 63.6 64.3 -7.5 983 457 B A H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.935 112.9 47.9 -67.9 -47.5 59.9 64.6 -6.8 984 458 B C H X>S+ 0 0 0 -4,-2.5 5,-2.5 2,-0.2 4,-0.5 0.854 110.6 52.0 -62.8 -36.1 60.4 66.6 -3.6 985 459 B E H ><5S+ 0 0 49 -4,-2.3 3,-2.0 2,-0.2 -1,-0.2 0.965 108.6 50.2 -64.5 -50.5 62.8 68.9 -5.2 986 460 B A H 3<5S+ 0 0 61 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.898 108.5 55.5 -52.5 -40.0 60.3 69.6 -8.0 987 461 B L H 3<5S- 0 0 12 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.569 130.6 -89.0 -72.2 -10.6 57.8 70.3 -5.3 988 462 B G T <<5S+ 0 0 18 -3,-2.0 -63,-0.3 -4,-0.5 -3,-0.2 0.477 70.7 150.6 119.4 -0.0 59.9 72.9 -3.6 989 463 B A < - 0 0 2 -5,-2.5 -1,-0.3 1,-0.1 -63,-0.2 -0.413 26.5-164.8 -65.2 139.6 62.2 71.2 -1.0 990 464 B G + 0 0 0 -65,-2.2 2,-0.3 -68,-1.2 -64,-0.2 0.609 66.5 24.7-102.7 -11.2 65.4 73.1 -0.6 991 465 B E E -o 926 0M 2 -66,-1.3 -64,-2.3 -69,-0.2 2,-0.5 -0.994 62.6-140.5-152.7 151.5 67.5 70.5 1.2 992 466 B I E -op 9271022M 0 29,-2.2 31,-3.2 -2,-0.3 2,-1.1 -0.967 5.7-156.4-118.3 120.6 67.7 66.7 1.6 993 467 B L E -op 9281023M 8 -66,-3.5 -64,-2.8 -2,-0.5 2,-1.1 -0.823 21.1-158.6 -94.2 98.6 68.5 65.1 5.0 994 468 B L E +op 9291024M 5 29,-2.2 31,-2.1 -2,-1.1 -64,-0.1 -0.663 18.3 170.7 -87.3 94.2 69.9 61.8 3.7 995 469 B N - 0 0 15 -66,-2.1 2,-0.3 -2,-1.1 31,-0.1 -0.259 21.2-146.1 -87.4-178.3 69.7 59.2 6.4 996 470 B C >> - 0 0 2 -66,-0.1 4,-1.8 1,-0.1 3,-0.7 -0.830 7.0-154.5-155.4 110.3 70.4 55.5 5.9 997 471 B I T 34 S+ 0 0 53 -66,-1.9 3,-0.2 -2,-0.3 -65,-0.1 0.899 96.4 53.0 -51.8 -45.7 68.6 52.8 7.8 998 472 B D T 34 S+ 0 0 45 -67,-0.4 -1,-0.2 1,-0.2 -66,-0.1 0.802 117.1 35.6 -63.6 -31.3 71.4 50.3 7.4 999 473 B K T X> S+ 0 0 0 -3,-0.7 3,-1.7 -995,-0.1 4,-0.5 0.579 85.0 123.4 -99.9 -10.1 74.1 52.6 8.8 1000 474 B D T 3< S- 0 0 100 -4,-1.8 -5,-0.0 1,-0.3 6,-0.0 -0.308 88.2 -0.3 -58.8 123.3 72.1 54.4 11.4 1001 475 B G T 34 S+ 0 0 49 -2,-0.1 -1,-0.3 27,-0.1 -2,-0.1 0.188 101.4 111.0 84.6 -15.3 73.7 54.0 14.8 1002 476 B S T <4 - 0 0 10 -3,-1.7 -2,-0.1 3,-0.1 -996,-0.1 0.759 64.0-151.0 -63.0 -30.7 76.6 52.0 13.4 1003 477 B N < + 0 0 30 -4,-0.5 26,-0.2 25,-0.1 25,-0.1 0.788 64.9 113.1 61.6 26.7 79.3 54.6 14.0 1004 478 B S S S- 0 0 21 1,-0.4 24,-0.2 -5,-0.3 -1,-0.1 0.179 82.9 -89.1-114.1 16.5 81.1 53.1 11.0 1005 479 B G - 0 0 0 22,-3.2 -1,-0.4 -6,-0.1 2,-0.1 -0.255 54.1 -53.7 102.1 169.0 80.8 56.0 8.5 1006 480 B Y - 0 0 2 27,-0.2 2,-1.4 21,-0.1 21,-0.1 -0.429 51.6-104.8 -83.1 156.7 78.3 57.2 5.9 1007 481 B D > - 0 0 4 19,-0.4 4,-1.7 18,-0.3 3,-0.3 -0.699 40.6-169.1 -80.1 96.5 77.0 55.1 2.9 1008 482 B L H > S+ 0 0 22 -2,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.809 79.0 51.5 -60.6 -36.9 79.2 56.8 0.3 1009 483 B E H > S+ 0 0 33 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.838 107.1 56.3 -71.8 -29.6 77.5 55.4 -2.8 1010 484 B L H > S+ 0 0 3 -3,-0.3 4,-2.6 2,-0.2 5,-0.2 0.955 106.9 48.3 -64.0 -49.0 74.1 56.5 -1.4 1011 485 B I H X S+ 0 0 3 -4,-1.7 4,-2.6 1,-0.2 5,-0.2 0.956 114.3 45.7 -53.8 -55.0 75.3 60.1 -1.1 1012 486 B E H X S+ 0 0 53 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.857 110.7 54.7 -58.4 -36.9 76.7 60.0 -4.7 1013 487 B H H X S+ 0 0 9 -4,-2.4 4,-0.9 2,-0.2 -1,-0.2 0.914 111.9 42.5 -64.1 -44.1 73.5 58.4 -5.9 1014 488 B V H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.860 110.3 56.6 -71.5 -35.2 71.3 61.2 -4.4 1015 489 B K H < S+ 0 0 15 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.841 105.7 51.6 -65.1 -31.7 73.7 63.9 -5.6 1016 490 B D H < S+ 0 0 99 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.787 112.1 50.2 -72.5 -26.3 73.3 62.5 -9.2 1017 491 B A H < S+ 0 0 5 -4,-0.9 2,-0.2 -3,-0.2 -2,-0.2 0.903 113.1 28.7 -79.4 -46.1 69.5 62.8 -8.7 1018 492 B V < - 0 0 7 -4,-2.3 -36,-0.1 2,-0.1 4,-0.1 -0.718 52.4-145.0-120.7 169.3 69.0 66.3 -7.4 1019 493 B K S S+ 0 0 99 -2,-0.2 -360,-1.7 -360,-0.1 -4,-0.1 0.105 73.7 95.4-113.9 15.3 70.4 69.8 -7.5 1020 494 B I S S- 0 0 6 -362,-0.2 -29,-0.2 1,-0.1 -2,-0.1 -0.758 91.7 -78.6-104.8 156.0 69.5 70.8 -3.9 1021 495 B P - 0 0 4 0, 0.0 -29,-2.2 0, 0.0 2,-0.5 -0.207 44.4-150.1 -52.6 141.8 72.0 70.5 -1.0 1022 496 B V E -p 992 0M 0 20,-0.3 22,-2.9 -31,-0.2 23,-0.8 -0.977 3.5-153.4-120.3 123.2 72.3 66.9 0.3 1023 497 B I E -pq 9931045M 4 -31,-3.2 -29,-2.2 -2,-0.5 2,-0.6 -0.835 13.0-135.7 -97.3 128.7 73.2 66.4 4.0 1024 498 B A E +pq 9941046M 1 21,-3.2 23,-2.8 -2,-0.5 2,-0.3 -0.733 36.1 163.3 -85.5 122.3 75.0 63.2 4.9 1025 499 B S + 0 0 12 -31,-2.1 -18,-0.3 -2,-0.6 23,-0.1 -0.881 31.7 51.4-132.9 164.8 73.5 61.6 8.0 1026 500 B S S S+ 0 0 10 -2,-0.3 -19,-0.4 21,-0.2 -26,-0.2 0.816 94.5 39.9 74.3 112.4 73.6 58.1 9.6 1027 501 B G + 0 0 5 1,-0.3 -22,-3.2 -28,-0.1 -21,-0.1 0.092 66.8 141.1 112.6 -22.2 76.9 56.4 10.4 1028 502 B A + 0 0 11 19,-0.3 23,-0.4 -24,-0.2 -1,-0.3 -0.341 7.1 144.6 -59.7 125.7 79.1 59.2 11.7 1029 503 B G + 0 0 5 1,-0.4 -1,-0.2 -26,-0.2 -25,-0.1 0.602 61.9 20.9-129.2 -38.9 81.2 58.0 14.6 1030 504 B V S >> S- 0 0 8 -987,-0.1 3,-2.0 1,-0.1 4,-0.8 -0.898 81.0-101.7-134.0 161.8 84.6 59.7 14.3 1031 505 B P H >> S+ 0 0 6 0, 0.0 4,-1.8 0, 0.0 3,-1.2 0.864 115.5 67.2 -48.2 -42.1 86.1 62.9 12.6 1032 506 B E H 3> S+ 0 0 52 1,-0.3 4,-2.4 2,-0.2 5,-0.1 0.756 92.6 60.3 -53.1 -28.1 87.5 60.7 9.9 1033 507 B H H <> S+ 0 0 13 -3,-2.0 4,-2.1 2,-0.2 -1,-0.3 0.877 104.2 48.9 -69.6 -36.6 84.0 59.9 8.6 1034 508 B F H > S+ 0 0 40 -2,-0.4 4,-2.7 -21,-0.3 3,-0.9 0.464 70.0 29.9-128.5 -85.8 74.2 62.8 16.7 1050 524 B G H 3> S+ 0 0 21 1,-0.3 4,-3.6 2,-0.2 6,-0.3 0.855 115.5 58.6 -51.8 -42.9 75.2 60.2 19.2 1051 525 B M H 34>S+ 0 0 1 -23,-0.4 6,-1.7 1,-0.2 5,-0.6 0.875 115.1 37.4 -58.8 -34.9 78.9 60.8 18.8 1052 526 B F H X45S+ 0 0 1 -3,-0.9 3,-0.7 4,-0.2 -1,-0.2 0.847 117.6 52.4 -81.8 -35.4 78.4 64.4 19.9 1053 527 B H H 3<5S+ 0 0 64 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.860 108.4 48.0 -67.5 -40.2 75.7 63.3 22.4 1054 528 B R T 3<5S- 0 0 120 -4,-3.6 -1,-0.2 -5,-0.2 -2,-0.2 0.436 110.4-123.3 -81.4 1.2 77.9 60.7 24.1 1055 529 B G T < 5S+ 0 0 42 -3,-0.7 -3,-0.2 2,-0.2 -4,-0.1 0.548 72.8 132.9 69.6 5.4 80.7 63.3 24.3 1056 530 B E S - 0 0 29 -2,-0.3 4,-1.8 -3,-0.1 3,-0.2 -0.735 34.4-105.6-113.8 166.6 82.7 67.5 20.0 1059 533 B V H > S+ 0 0 0 -2,-0.3 4,-2.4 1,-0.2 -243,-0.1 0.900 124.8 54.1 -59.4 -35.1 81.9 69.5 16.9 1060 534 B N H > S+ 0 0 55 -245,-0.8 4,-3.5 2,-0.2 5,-0.2 0.857 100.5 57.1 -66.9 -35.8 85.2 71.2 17.4 1061 535 B D H > S+ 0 0 73 -3,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.940 111.6 44.7 -58.9 -44.2 87.1 68.0 17.6 1062 536 B V H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.902 114.3 48.2 -65.7 -42.4 85.7 67.3 14.1 1063 537 B K H X S+ 0 0 1 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.904 109.1 52.6 -66.8 -40.9 86.5 70.8 12.9 1064 538 B E H X S+ 0 0 96 -4,-3.5 4,-3.1 2,-0.2 -1,-0.2 0.929 111.7 48.1 -59.0 -44.5 90.0 70.7 14.3 1065 539 B Y H X S+ 0 0 44 -4,-2.0 4,-0.8 -5,-0.2 -2,-0.2 0.953 113.8 44.1 -60.0 -55.2 90.6 67.4 12.4 1066 540 B L H ><>S+ 0 0 0 -4,-2.6 5,-2.2 2,-0.2 3,-1.0 0.928 115.1 49.9 -56.3 -47.7 89.2 68.7 9.1 1067 541 B L H ><5S+ 0 0 38 -4,-3.0 3,-2.3 1,-0.3 -2,-0.2 0.954 106.7 54.1 -55.4 -52.7 91.1 72.0 9.5 1068 542 B E H 3<5S+ 0 0 152 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.700 109.0 53.5 -56.2 -17.8 94.3 70.1 10.2 1069 543 B H T <<5S- 0 0 77 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.085 124.7 -95.8-108.5 23.0 93.6 68.3 6.9 1070 544 B G T < 5S+ 0 0 57 -3,-2.3 -3,-0.2 1,-0.3 2,-0.2 0.409 81.0 129.2 85.4 -3.7 93.1 71.3 4.6 1071 545 B L < - 0 0 10 -5,-2.2 2,-0.5 -6,-0.2 -1,-0.3 -0.501 59.1-118.5 -84.3 156.0 89.3 71.6 4.7 1072 546 B K + 0 0 20 -296,-0.2 -294,-3.3 -2,-0.2 2,-0.3 -0.840 38.9 170.7 -97.1 125.2 87.7 75.0 5.4 1073 547 B V - 0 0 14 -2,-0.5 2,-0.3 -296,-0.2 -294,-0.1 -0.965 40.7 -99.5-133.0 150.4 85.5 75.1 8.5 1074 548 B R + 0 0 11 -2,-0.3 2,-0.4 -296,-0.3 -393,-0.1 -0.517 38.5 178.4 -67.6 127.0 83.7 77.8 10.4 1075 549 B M 0 0 73 -2,-0.3 -1,-0.1 -308,-0.1 -393,-0.0 -0.865 360.0 360.0-133.1 95.1 85.8 78.7 13.4 1076 550 B D 0 0 80 -2,-0.4 -337,-0.3 -395,-0.1 -260,-0.1 -0.605 360.0 360.0-112.8 360.0 84.1 81.6 15.3