==== 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 1OX6 . COMPND 2 MOLECULE: IMIDAZOLE GLYCEROL PHOSPHATE SYNTHASE HISHF; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR B.N.CHAUDHURI,J.L.SMITH . 1062 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42063.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 739 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 122 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 92 8.7 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 . 4 0.4 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 . 87 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 110 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 256 24.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 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 4 0 0 2 0 10 9 3 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 5 7 9 3 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 PARALLEL BRIDGES PER LADDER . 2 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 . 9 0 2 0 0 0 2 1 1 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 40 0, 0.0 5,-0.1 0, 0.0 29,-0.0 0.000 360.0 360.0 360.0 -22.3 81.4 48.9 1.1 2 -2 A S + 0 0 7 3,-0.1 993,-0.1 996,-0.0 4,-0.0 0.229 360.0 93.6-165.6 7.0 79.0 51.4 2.6 3 -1 A H S S+ 0 0 9 1,-0.2 921,-0.2 995,-0.1 995,-0.1 0.662 100.9 17.1 -84.6 -18.0 75.6 50.1 1.5 4 1 A M S S- 0 0 48 991,-0.1 -1,-0.2 986,-0.1 986,-0.1 -0.972 103.4 -80.7-145.8 154.7 75.2 48.2 4.8 5 2 A P - 0 0 10 0, 0.0 25,-2.3 0, 0.0 2,-0.4 -0.389 48.4-137.8 -61.9 130.6 77.1 48.4 8.1 6 3 A V E -a 30 0A 17 23,-0.2 2,-0.5 989,-0.2 40,-0.4 -0.732 12.4-159.2 -95.6 140.1 80.4 46.6 7.9 7 4 A V E -a 31 0A 0 23,-2.9 25,-2.7 -2,-0.4 2,-0.5 -0.974 11.4-142.2-119.6 123.6 81.7 44.4 10.7 8 5 A H E -ab 32 48A 21 39,-2.7 41,-2.7 -2,-0.5 2,-0.5 -0.762 16.0-169.9 -91.3 126.3 85.4 43.6 10.9 9 6 A V E -ab 33 49A 0 23,-2.1 25,-2.9 -2,-0.5 2,-0.4 -0.958 19.1-135.3-120.2 115.8 86.3 40.1 12.0 10 7 A I E -a 34 0A 1 39,-2.3 2,-0.6 -2,-0.5 25,-0.2 -0.544 22.5-162.4 -70.1 125.0 89.9 39.3 12.9 11 8 A D - 0 0 7 23,-2.8 41,-0.1 -2,-0.4 -1,-0.1 -0.912 24.3-179.5-117.4 106.7 90.7 36.0 11.2 12 9 A V - 0 0 10 -2,-0.6 -1,-0.1 39,-0.3 23,-0.1 0.347 53.8-119.6 -80.7 8.1 93.8 34.1 12.5 13 10 A E S S+ 0 0 76 1,-0.2 2,-0.4 2,-0.0 325,-0.1 0.867 75.1 116.3 54.7 47.7 92.7 31.6 9.8 14 11 A S - 0 0 28 323,-0.1 -2,-0.2 324,-0.0 -1,-0.2 -0.979 61.6 -4.5-145.8 126.8 92.1 28.7 12.1 15 12 A G S S- 0 0 2 -2,-0.4 2,-0.7 319,-0.2 3,-0.1 -0.239 102.4 -23.8 89.6-178.0 88.9 26.9 12.9 16 13 A N + 0 0 23 1,-0.2 4,-0.2 325,-0.1 322,-0.2 -0.614 56.5 152.8 -77.3 110.6 85.2 27.4 12.0 17 14 A L > + 0 0 23 -2,-0.7 4,-2.0 321,-0.2 5,-0.2 0.369 54.9 89.0-113.7 -2.5 84.6 31.0 11.1 18 15 A Q H > S+ 0 0 42 319,-0.3 4,-2.6 1,-0.2 5,-0.2 0.927 86.2 48.6 -59.4 -52.7 81.6 30.1 8.8 19 16 A S H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.900 111.5 48.3 -58.9 -46.2 79.0 30.3 11.5 20 17 A L H > S+ 0 0 1 2,-0.2 4,-2.3 -4,-0.2 -1,-0.2 0.949 115.6 42.6 -63.6 -49.2 80.1 33.6 12.8 21 18 A T H X S+ 0 0 20 -4,-2.0 4,-2.2 1,-0.2 5,-0.2 0.879 115.2 50.7 -66.0 -36.3 80.3 35.3 9.4 22 19 A N H X S+ 0 0 17 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.842 110.1 51.1 -68.0 -33.0 77.0 33.7 8.3 23 20 A A H X S+ 0 0 0 -4,-2.1 4,-1.5 -5,-0.2 -2,-0.2 0.926 110.2 48.6 -68.8 -44.4 75.3 34.9 11.5 24 21 A I H <>S+ 0 0 0 -4,-2.3 5,-1.9 2,-0.2 -2,-0.2 0.914 113.9 45.0 -62.5 -45.2 76.5 38.5 11.0 25 22 A E H ><5S+ 0 0 104 -4,-2.2 3,-2.4 1,-0.2 -1,-0.2 0.903 108.1 58.7 -66.1 -39.5 75.3 38.6 7.3 26 23 A H H 3<5S+ 0 0 121 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.842 101.7 55.8 -57.1 -33.9 72.1 36.9 8.4 27 24 A L T 3<5S- 0 0 31 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.425 130.1 -96.6 -79.9 1.9 71.6 39.9 10.7 28 25 A G T < 5S+ 0 0 42 -3,-2.4 2,-0.2 1,-0.3 -3,-0.2 0.650 83.7 123.6 94.7 16.3 71.9 42.3 7.8 29 26 A Y < - 0 0 21 -5,-1.9 2,-0.5 -25,-0.1 -1,-0.3 -0.680 58.3-123.5-109.6 161.8 75.6 43.2 8.0 30 27 A E E -a 6 0A 47 -25,-2.3 -23,-2.9 -2,-0.2 2,-0.4 -0.900 26.6-139.0-104.4 130.2 78.6 43.0 5.7 31 28 A V E -a 7 0A 24 -2,-0.5 2,-0.5 -25,-0.2 -23,-0.2 -0.727 13.8-167.9 -93.2 137.1 81.5 41.0 7.0 32 29 A Q E -a 8 0A 76 -25,-2.7 -23,-2.1 -2,-0.4 2,-0.3 -0.923 15.6-145.4-124.5 103.2 85.1 42.2 6.4 33 30 A L E -a 9 0A 59 -2,-0.5 2,-0.7 -25,-0.2 -23,-0.2 -0.503 7.8-159.4 -69.9 129.0 87.7 39.5 7.2 34 31 A V E +a 10 0A 0 -25,-2.9 -23,-2.8 -2,-0.3 -1,-0.1 -0.894 26.6 156.5-113.3 100.6 91.0 40.9 8.7 35 32 A K S S+ 0 0 65 -2,-0.7 -1,-0.1 -25,-0.2 -25,-0.1 0.655 70.7 31.8 -94.9 -20.4 93.8 38.4 8.2 36 33 A S S > S- 0 0 32 1,-0.1 3,-2.6 31,-0.0 -1,-0.2 -0.962 82.6-116.7-136.7 151.2 96.5 41.0 8.4 37 34 A P G > S+ 0 0 34 0, 0.0 3,-1.1 0, 0.0 30,-0.1 0.754 116.7 65.5 -58.7 -21.4 96.9 44.3 10.3 38 35 A K G 3 S+ 0 0 192 1,-0.2 -4,-0.0 3,-0.0 3,-0.0 0.709 85.6 74.5 -72.9 -18.2 97.1 45.8 6.8 39 36 A D G < S+ 0 0 70 -3,-2.6 2,-0.3 1,-0.1 -1,-0.2 0.332 103.3 25.6 -78.4 6.8 93.4 44.7 6.3 40 37 A F < - 0 0 21 -3,-1.1 2,-0.4 -4,-0.1 -1,-0.1 -0.963 58.7-151.0-167.9 151.3 92.0 47.4 8.6 41 38 A N > - 0 0 88 -2,-0.3 3,-0.6 1,-0.1 4,-0.4 -0.965 27.8-120.9-127.4 144.4 92.5 50.9 10.0 42 39 A I G > S+ 0 0 40 -2,-0.4 3,-2.3 1,-0.2 -1,-0.1 0.921 108.0 47.0 -45.4 -66.7 91.2 52.3 13.3 43 40 A S G 3 S+ 0 0 41 1,-0.3 -1,-0.2 3,-0.0 981,-0.1 0.765 112.1 51.9 -51.8 -31.3 89.1 55.2 12.1 44 41 A G G < S+ 0 0 41 -3,-0.6 2,-0.5 979,-0.0 -1,-0.3 0.397 95.8 81.1 -90.3 4.3 87.4 53.1 9.4 45 42 A T < + 0 0 1 -3,-2.3 3,-0.1 -4,-0.4 35,-0.1 -0.943 40.3 162.9-114.4 123.8 86.3 50.4 11.8 46 43 A S S S+ 0 0 5 -2,-0.5 2,-0.4 -40,-0.4 -1,-0.1 0.629 72.7 36.1-109.9 -20.5 83.2 50.8 13.9 47 44 A R - 0 0 7 -41,-0.3 -39,-2.7 33,-0.1 2,-0.4 -0.957 68.2-176.7-138.0 115.9 82.5 47.2 14.9 48 45 A L E -bc 8 82A 0 33,-2.2 35,-2.5 -2,-0.4 2,-0.4 -0.939 5.3-168.1-119.0 135.8 85.3 44.7 15.7 49 46 A I E -bc 9 83A 0 -41,-2.7 -39,-2.3 -2,-0.4 35,-0.2 -0.980 7.0-164.7-126.0 130.3 85.1 41.0 16.5 50 47 A L E - c 0 84A 3 33,-3.2 35,-2.3 -2,-0.4 2,-0.2 -0.851 16.5-178.8-113.9 90.2 87.9 38.9 17.9 51 48 A P E + c 0 85A 12 0, 0.0 2,-0.3 0, 0.0 -39,-0.3 -0.626 5.8 170.0 -88.5 150.5 86.9 35.1 17.6 52 49 A G E + c 0 86A 7 33,-1.2 35,-1.7 -2,-0.2 36,-0.5 -0.985 11.9 176.1-161.1 147.5 89.2 32.4 18.7 53 50 A V + 0 0 45 -2,-0.3 325,-0.1 33,-0.2 2,-0.0 -0.940 44.6 28.4-146.2 164.3 89.2 28.7 19.3 54 51 A G S S+ 0 0 5 323,-0.5 323,-0.2 -2,-0.3 324,-0.1 -0.227 98.4 5.5 83.1-170.9 91.7 26.1 20.4 55 52 A N > - 0 0 37 321,-1.5 4,-2.1 320,-0.2 5,-0.2 -0.234 65.5-132.3 -52.3 127.6 94.8 26.1 22.5 56 53 A Y H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.893 105.4 43.9 -49.1 -55.1 95.4 29.5 24.2 57 54 A G H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.881 110.0 57.6 -60.7 -39.7 99.1 29.9 23.3 58 55 A H H > S+ 0 0 69 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.898 114.1 39.0 -55.9 -44.4 98.3 28.6 19.7 59 56 A F H X S+ 0 0 4 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.939 117.2 45.0 -74.0 -52.7 95.8 31.5 19.3 60 57 A V H X S+ 0 0 3 -4,-2.8 4,-2.9 2,-0.2 5,-0.3 0.853 113.3 51.5 -63.7 -36.1 97.6 34.4 21.0 61 58 A D H X S+ 0 0 87 -4,-2.4 4,-2.5 -5,-0.3 5,-0.2 0.945 111.2 47.7 -64.2 -48.2 100.9 33.5 19.4 62 59 A N H X S+ 0 0 38 -4,-1.3 4,-1.8 -5,-0.3 -2,-0.2 0.923 114.5 49.0 -56.7 -45.9 99.3 33.5 16.0 63 60 A L H <>S+ 0 0 0 -4,-2.5 5,-1.9 1,-0.2 4,-0.2 0.953 115.4 38.7 -62.3 -55.8 97.6 36.8 16.8 64 61 A F H ><5S+ 0 0 54 -4,-2.9 3,-1.0 1,-0.2 5,-0.2 0.821 112.3 58.4 -69.1 -29.2 100.5 38.8 18.1 65 62 A N H 3<5S+ 0 0 143 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.917 102.2 53.5 -65.4 -41.6 102.9 37.3 15.4 66 63 A R T 3<5S- 0 0 74 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.538 124.4-109.4 -69.2 -5.9 100.6 38.7 12.7 67 64 A G T < 5S+ 0 0 36 -3,-1.0 -3,-0.2 -4,-0.2 -2,-0.1 0.757 76.5 133.0 85.5 28.7 101.0 42.0 14.4 68 65 A F >< + 0 0 0 -5,-1.9 4,-2.8 1,-0.1 5,-0.3 0.599 47.0 84.7 -87.8 -10.5 97.5 42.6 15.9 69 66 A E H > S+ 0 0 65 -6,-0.2 4,-2.6 -5,-0.2 5,-0.2 0.971 95.5 38.4 -56.6 -60.6 98.5 43.6 19.4 70 67 A K H > S+ 0 0 152 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.943 117.9 49.9 -57.2 -49.4 99.0 47.3 18.8 71 68 A P H > S+ 0 0 25 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.914 112.2 48.2 -56.2 -44.5 96.1 47.6 16.4 72 69 A I H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.937 113.3 47.4 -61.6 -46.2 93.7 45.9 18.8 73 70 A R H X S+ 0 0 70 -4,-2.6 4,-2.3 -5,-0.3 -1,-0.2 0.899 112.8 48.5 -63.1 -41.6 94.9 48.1 21.7 74 71 A E H X S+ 0 0 93 -4,-2.9 4,-1.2 2,-0.2 -1,-0.2 0.900 109.9 52.2 -65.2 -41.7 94.5 51.2 19.6 75 72 A Y H ><>S+ 0 0 0 -4,-2.6 5,-0.7 -5,-0.3 3,-0.5 0.917 110.4 48.8 -61.2 -40.6 91.1 50.2 18.5 76 73 A I H ><5S+ 0 0 12 -4,-2.2 3,-1.5 1,-0.2 -2,-0.2 0.905 107.3 54.7 -66.6 -38.3 90.1 49.7 22.1 77 74 A E H 3<5S+ 0 0 155 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.716 95.1 69.3 -69.0 -17.5 91.5 53.0 23.1 78 75 A S T <<5S- 0 0 52 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.597 107.9-122.3 -75.1 -9.2 89.3 54.7 20.5 79 76 A G T < 5 + 0 0 42 -3,-1.5 -3,-0.1 1,-0.3 -2,-0.1 0.342 65.8 137.0 86.4 -8.1 86.2 53.9 22.5 80 77 A K < - 0 0 28 -5,-0.7 -1,-0.3 1,-0.1 -2,-0.1 -0.446 62.2 -82.6 -78.3 147.5 84.6 51.9 19.6 81 78 A P + 0 0 12 0, 0.0 -33,-2.2 0, 0.0 2,-0.4 -0.126 46.2 175.7 -51.2 127.1 82.8 48.5 20.1 82 79 A I E -cd 48 190A 7 107,-2.0 109,-1.8 -35,-0.2 2,-0.4 -0.993 10.0-164.8-133.9 140.7 84.8 45.3 20.3 83 80 A M E -cd 49 191A 0 -35,-2.5 -33,-3.2 -2,-0.4 2,-0.4 -0.992 3.3-161.0-129.6 126.4 83.5 41.8 20.9 84 81 A G E -cd 50 192A 6 107,-2.1 109,-2.4 -2,-0.4 2,-0.4 -0.829 6.1-157.2-104.5 146.3 85.6 38.8 21.9 85 82 A I E > -cd 51 193A 1 -35,-2.3 3,-2.8 -2,-0.4 -33,-1.2 -0.988 53.1 -46.2-130.7 127.9 84.4 35.2 21.5 86 83 A C E >> S+c 52 0A 8 107,-2.6 4,-2.0 109,-0.5 3,-1.1 -0.391 140.7 12.5 55.4-110.4 85.7 32.1 23.4 87 84 A V H 3> S+ 0 0 4 -35,-1.7 4,-1.8 -2,-0.3 -1,-0.3 0.752 124.5 68.1 -65.6 -19.3 89.5 32.4 23.2 88 85 A G H <4 S+ 0 0 0 -3,-2.8 -1,-0.3 -36,-0.5 -2,-0.2 0.903 104.4 42.3 -63.0 -39.7 88.8 35.9 22.0 89 86 A L H X4 S+ 0 0 0 -3,-1.1 3,-2.0 104,-0.4 4,-0.2 0.923 112.4 51.6 -71.8 -45.8 87.6 36.6 25.5 90 87 A Q H >< S+ 0 0 6 -4,-2.0 3,-1.6 1,-0.3 -2,-0.2 0.772 97.0 70.0 -63.1 -23.4 90.4 34.7 27.2 91 88 A A T 3< S+ 0 0 1 -4,-1.8 14,-2.7 1,-0.3 15,-0.3 0.642 88.7 65.8 -68.1 -12.2 92.9 36.7 25.2 92 89 A L T < S+ 0 0 7 -3,-2.0 15,-2.8 12,-0.2 16,-1.5 0.593 92.8 78.6 -82.8 -13.9 91.8 39.7 27.3 93 90 A F E < S-h 108 0B 0 -3,-1.6 13,-2.1 13,-0.2 16,-0.2 -0.145 99.9 -94.0 -89.0-175.1 93.3 38.1 30.5 94 91 A A E S- 0 0 15 16,-1.8 10,-1.9 14,-1.0 2,-0.3 0.805 84.5 -81.0 -69.0 -27.7 96.8 37.8 31.8 95 92 A G E -h 111 0B 0 15,-0.7 17,-2.5 8,-0.3 2,-0.3 -0.971 48.1 -84.9 154.6-163.7 97.1 34.4 30.2 96 93 A S E > -h 112 0B 0 3,-0.5 3,-1.6 6,-0.4 6,-0.3 -0.999 14.1-133.3-146.5 141.7 96.1 30.8 30.8 97 94 A V T 3 S+ 0 0 88 15,-2.8 16,-0.1 -2,-0.3 -1,-0.1 0.794 104.6 75.6 -59.0 -26.5 97.5 27.8 32.6 98 95 A E T 3 S+ 0 0 41 14,-0.3 -1,-0.3 1,-0.3 15,-0.1 0.862 111.7 23.2 -52.7 -37.8 96.7 26.0 29.3 99 96 A S S X S- 0 0 14 -3,-1.6 3,-2.5 1,-0.1 -3,-0.5 -0.722 78.3-165.9-134.5 82.8 99.8 27.6 27.8 100 97 A P T 3 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.681 85.7 47.2 -37.3 -37.9 102.1 28.5 30.8 101 98 A K T 3 S+ 0 0 202 -4,-0.1 2,-0.2 2,-0.0 -4,-0.1 0.574 89.2 103.2 -90.9 -8.5 104.4 30.8 28.7 102 99 A S < - 0 0 14 -3,-2.5 -6,-0.4 -6,-0.3 2,-0.3 -0.485 53.1-156.5 -80.4 144.9 101.7 32.8 26.9 103 100 A T - 0 0 95 -2,-0.2 -8,-0.3 -8,-0.1 2,-0.2 -0.873 8.2-149.7-114.5 148.9 100.7 36.4 27.9 104 101 A G - 0 0 5 -10,-1.9 -12,-0.2 -2,-0.3 -13,-0.1 -0.428 40.8 -88.8-106.4-173.5 97.4 38.0 27.1 105 102 A L - 0 0 4 -14,-2.7 -13,-0.2 -2,-0.2 -11,-0.2 0.715 58.7-142.6 -66.7 -19.5 96.4 41.6 26.5 106 103 A N + 0 0 79 -13,-2.1 -13,-0.2 -15,-0.3 3,-0.2 0.871 55.1 141.4 58.3 47.9 96.0 41.6 30.3 107 104 A Y S S+ 0 0 61 -15,-2.8 2,-0.4 1,-0.3 -14,-0.2 0.741 81.8 40.8 -82.2 -25.4 93.0 43.9 30.6 108 105 A I E S-h 93 0B 2 -16,-1.5 2,-1.3 2,-0.1 -14,-1.0 -0.983 91.9-139.9-124.1 113.0 92.0 41.5 33.5 109 106 A D E + 0 0 120 -2,-0.4 2,-0.3 -16,-0.2 -16,-0.1 -0.055 67.9 76.4 -75.6 32.1 95.1 40.5 35.6 110 107 A F E S- 0 0 26 -2,-1.3 -16,-1.8 -15,-0.1 -15,-0.7 -0.947 73.8-111.5-137.6 165.3 94.6 36.9 36.2 111 108 A K E -h 95 0B 101 -2,-0.3 -15,-0.3 -17,-0.2 2,-0.3 -0.589 25.9-110.6 -98.6 155.8 94.9 33.8 34.3 112 109 A L E -h 96 0B 1 -17,-2.5 -15,-2.8 -2,-0.2 -14,-0.3 -0.583 37.4-162.9 -78.6 141.2 92.4 31.3 33.1 113 110 A S E -I 153 0C 46 40,-2.5 40,-2.6 -2,-0.3 2,-0.2 -0.806 22.4 -95.6-122.8 165.3 92.5 27.9 34.9 114 111 A R E -I 152 0C 111 -2,-0.3 38,-0.2 38,-0.2 37,-0.1 -0.549 42.2-104.3 -82.2 144.9 91.2 24.5 34.1 115 112 A F - 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0 0 0 28,-0.3 28,-1.9 -2,-0.3 2,-0.4 -0.743 51.7-157.1 -88.6 90.3 88.1 32.5 34.4 155 152 A I B -E 181 0A 29 -2,-1.5 26,-0.3 -44,-0.2 2,-0.2 -0.583 10.6-143.9 -74.8 127.3 87.1 30.7 37.5 156 153 A L + 0 0 14 24,-2.5 24,-0.5 -2,-0.4 2,-0.3 -0.534 24.9 170.1 -97.7 159.9 85.7 33.1 40.1 157 154 A N > - 0 0 66 -2,-0.2 4,-2.2 22,-0.1 5,-0.2 -0.880 54.4 -84.2-148.6 174.8 85.8 33.5 43.9 158 155 A S H > S+ 0 0 72 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.888 124.4 49.6 -54.6 -43.3 84.7 36.3 46.2 159 156 A E H > S+ 0 0 131 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.906 110.7 46.8 -64.8 -47.0 88.0 38.2 45.9 160 157 A K H > S+ 0 0 61 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.885 110.9 53.6 -64.8 -38.8 88.2 38.2 42.1 161 158 A K H X S+ 0 0 70 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.931 111.9 44.7 -63.9 -41.7 84.5 39.2 41.8 162 159 A K H X S+ 0 0 122 -4,-2.0 4,-3.0 -5,-0.2 5,-0.3 0.930 111.9 51.3 -68.8 -40.9 85.1 42.2 44.0 163 160 A N H X S+ 0 0 84 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.916 110.9 49.0 -61.3 -41.4 88.3 43.3 42.4 164 161 A L H <>S+ 0 0 8 -4,-2.4 5,-3.0 2,-0.2 4,-0.3 0.903 112.2 49.0 -63.2 -42.2 86.5 43.2 39.0 165 162 A E H ><5S+ 0 0 108 -4,-2.0 3,-2.2 1,-0.2 -2,-0.2 0.966 113.0 44.7 -61.8 -53.7 83.6 45.2 40.3 166 163 A N H 3<5S+ 0 0 133 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.759 109.1 60.5 -61.8 -23.3 85.8 47.9 41.9 167 164 A D T 3<5S- 0 0 86 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.552 122.4-108.1 -79.9 -9.9 87.8 47.8 38.6 168 165 A G T < 5S+ 0 0 44 -3,-2.2 2,-0.4 -4,-0.3 20,-0.2 0.711 71.6 140.6 90.1 20.8 84.6 48.8 36.7 169 166 A W < - 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0 0 8 -4,-2.2 -36,-0.1 2,-0.1 4,-0.1 -0.686 52.5-144.7-120.2 170.8 67.4 66.1 -8.3 1010 493 B K S S+ 0 0 97 -2,-0.2 -354,-0.7 -354,-0.1 3,-0.1 0.507 73.3 92.0-108.6 -10.4 68.8 69.7 -8.3 1011 494 B I S S- 0 0 6 -356,-0.2 -29,-0.2 1,-0.1 -2,-0.1 -0.498 92.5 -76.5 -83.9 157.6 68.0 70.8 -4.8 1012 495 B P - 0 0 4 0, 0.0 -29,-2.8 0, 0.0 2,-0.5 -0.170 43.6-149.7 -54.3 141.3 70.5 70.3 -1.9 1013 496 B V E -n 983 0L 0 20,-0.3 22,-2.5 -31,-0.2 23,-0.8 -0.968 3.0-151.2-119.0 126.1 70.9 66.8 -0.5 1014 497 B I E -no 9841036L 5 -31,-3.3 -29,-1.9 -2,-0.5 2,-0.5 -0.843 14.6-133.2 -99.2 125.6 71.8 66.2 3.2 1015 498 B A E +no 9851037L 1 21,-3.5 23,-3.2 -2,-0.5 2,-0.3 -0.657 37.8 165.4 -79.1 120.9 73.8 63.1 4.1 1016 499 B S + 0 0 13 -31,-1.9 -18,-0.3 -2,-0.5 -26,-0.1 -0.966 31.6 44.7-137.4 154.8 72.2 61.4 7.1 1017 500 B S S S+ 0 0 10 -2,-0.3 -19,-0.4 21,-0.3 -26,-0.2 0.691 95.7 43.1 81.8 118.2 72.4 58.0 8.8 1018 501 B G + 0 0 5 1,-0.3 -22,-2.9 -28,-0.2 -21,-0.1 0.044 67.5 140.7 110.3 -26.1 75.7 56.3 9.5 1019 502 B A + 0 0 12 19,-0.3 -1,-0.3 -24,-0.2 23,-0.3 -0.266 8.1 141.8 -55.2 130.7 77.9 59.2 10.7 1020 503 B G + 0 0 4 1,-0.5 -1,-0.2 -26,-0.1 -25,-0.1 0.542 60.9 22.6-137.3 -44.3 80.1 58.1 13.6 1021 504 B V S >> S- 0 0 10 -978,-0.1 3,-2.2 -27,-0.1 4,-0.7 -0.897 82.1-102.0-129.9 159.0 83.5 59.7 13.3 1022 505 B P H >> S+ 0 0 6 0, 0.0 4,-2.0 0, 0.0 3,-0.9 0.815 116.6 66.5 -47.4 -36.4 84.9 62.9 11.6 1023 506 B E H 3> S+ 0 0 54 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.794 91.8 62.1 -60.1 -27.3 86.3 60.8 8.8 1024 507 B H H <> S+ 0 0 15 -3,-2.2 4,-2.0 2,-0.2 -1,-0.3 0.878 105.2 46.5 -65.9 -36.4 82.8 59.9 7.7 1025 508 B F H > + 0 0 40 -2,-0.4 4,-2.4 -21,-0.3 3,-1.6 0.441 68.8 25.9-124.7 -93.3 73.0 62.6 15.7 1041 524 B G H 3> S+ 0 0 21 1,-0.3 4,-3.1 2,-0.2 6,-0.3 0.782 114.3 63.7 -50.2 -33.5 74.1 60.0 18.3 1042 525 B M H 34>S+ 0 0 1 -23,-0.3 6,-1.7 1,-0.2 5,-0.8 0.866 112.9 35.2 -63.2 -33.6 77.8 60.7 17.9 1043 526 B F H X45S+ 0 0 1 -3,-1.6 3,-1.0 4,-0.2 -2,-0.2 0.854 117.4 53.2 -84.4 -39.8 77.2 64.3 19.2 1044 527 B H H 3<5S+ 0 0 83 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.875 108.7 49.1 -62.6 -40.2 74.5 63.3 21.7 1045 528 B R T 3<5S- 0 0 122 -4,-3.1 -1,-0.3 -5,-0.2 -2,-0.2 0.476 110.5-122.6 -79.9 -2.1 76.7 60.6 23.3 1046 529 B G T < 5S+ 0 0 47 -3,-1.0 -3,-0.2 2,-0.3 3,-0.1 0.594 74.9 128.3 72.4 10.0 79.6 63.1 23.6 1047 530 B E S - 0 0 31 -2,-0.3 4,-1.5 -3,-0.1 5,-0.1 -0.631 36.2-106.3-106.0 171.1 81.5 67.6 19.3 1050 533 B V H > S+ 0 0 0 -2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.874 123.0 58.0 -65.8 -32.5 80.7 69.5 16.1 1051 534 B N H > S+ 0 0 56 -243,-0.8 4,-3.7 2,-0.2 5,-0.3 0.884 98.9 56.8 -64.0 -38.3 84.1 71.2 16.6 1052 535 B D H > S+ 0 0 70 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.953 110.8 44.4 -57.0 -48.2 86.0 68.0 16.6 1053 536 B V H X S+ 0 0 0 -4,-1.5 4,-2.8 1,-0.2 5,-0.2 0.933 115.4 47.4 -61.3 -48.8 84.5 67.2 13.1 1054 537 B K H X S+ 0 0 2 -4,-2.7 4,-3.3 2,-0.2 5,-0.2 0.903 109.9 52.5 -61.4 -42.5 85.2 70.8 11.9 1055 538 B E H X S+ 0 0 98 -4,-3.7 4,-2.6 1,-0.2 -1,-0.2 0.937 112.8 46.1 -58.9 -45.5 88.8 70.8 13.3 1056 539 B Y H X S+ 0 0 49 -4,-2.3 4,-0.9 -5,-0.3 -2,-0.2 0.930 115.2 44.2 -63.6 -47.7 89.4 67.5 11.4 1057 540 B L H ><>S+ 0 0 0 -4,-2.8 5,-2.2 1,-0.2 3,-0.8 0.914 113.8 52.2 -63.0 -41.7 87.8 68.7 8.1 1058 541 B L H ><5S+ 0 0 34 -4,-3.3 3,-1.8 1,-0.3 -2,-0.2 0.922 105.6 54.4 -57.9 -45.9 89.6 72.0 8.5 1059 542 B E H 3<5S+ 0 0 153 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.719 106.7 54.6 -62.4 -20.9 92.9 70.1 9.0 1060 543 B H T <<5S- 0 0 74 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.160 124.5 -96.5-101.8 18.7 92.1 68.4 5.7 1061 544 B G T < 5S+ 0 0 60 -3,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.626 79.7 133.5 81.5 13.9 91.7 71.5 3.5 1062 545 B L < - 0 0 8 -5,-2.2 2,-0.5 -6,-0.1 -1,-0.3 -0.669 56.3-119.3 -95.4 152.1 87.9 71.7 3.7 1063 546 B K + 0 0 19 -2,-0.3 -288,-3.1 -290,-0.2 2,-0.3 -0.800 39.2 167.6 -94.3 130.4 86.1 75.0 4.4 1064 547 B V - 0 0 13 -2,-0.5 2,-0.2 -290,-0.2 -288,-0.1 -0.989 41.3-100.1-140.5 148.4 84.0 75.1 7.5 1065 548 B R - 0 0 9 -2,-0.3 2,-0.3 -290,-0.3 -387,-0.1 -0.457 34.9-176.1 -65.1 135.5 82.3 77.9 9.5 1066 549 B M 0 0 74 -2,-0.2 -1,-0.1 -302,-0.1 -387,-0.1 -0.817 360.0 360.0-134.5 92.4 84.3 78.7 12.6 1067 550 B D 0 0 77 -2,-0.3 -258,-0.1 -258,-0.1 -331,-0.1 -0.942 360.0 360.0-118.1 360.0 82.4 81.3 14.6