==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 04-OCT-11 4A3S . COMPND 2 MOLECULE: 6-PHOSPHOFRUCTOKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR J.A.NEWMAN,L.HEWITT,C.RODRIGUES,A.S.SOLOVYOVA,C.R.HARWOOD,R. . 638 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28791.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 498 78.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 82 12.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 39 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 89 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 225 35.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.4 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 2 0 0 0 1 4 1 4 0 4 0 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 2 2 4 4 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 . 1 0 1 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 2 0 0 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 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 75 0, 0.0 3,-0.1 0, 0.0 275,-0.0 0.000 360.0 360.0 360.0 134.1 81.0 7.8 24.7 2 2 A K + 0 0 125 1,-0.3 31,-3.1 30,-0.1 2,-0.3 0.497 360.0 41.9-122.5 -12.4 77.9 6.2 23.3 3 3 A R E +a 33 0A 77 29,-0.2 92,-3.1 90,-0.1 93,-0.6 -0.944 59.1 166.6-148.2 122.4 75.4 6.8 26.0 4 4 A I E -ab 34 96A 0 29,-2.5 31,-2.4 -2,-0.3 2,-0.3 -0.816 21.2-137.8-126.4 168.2 74.6 9.8 28.2 5 5 A G E -ab 35 97A 0 91,-3.1 93,-2.3 -2,-0.3 2,-0.3 -0.862 11.0-160.3-124.2 158.8 71.9 11.0 30.6 6 6 A V E +ab 36 98A 0 29,-2.3 31,-2.5 -2,-0.3 2,-0.3 -0.998 14.4 165.0-142.7 138.3 70.2 14.4 31.1 7 7 A L E - b 0 99A 0 91,-1.8 93,-3.3 -2,-0.3 2,-0.4 -0.982 26.2-136.5-148.1 160.8 68.2 15.9 34.0 8 8 A T E + b 0 100A 0 61,-0.5 32,-0.4 29,-0.4 63,-0.3 -0.969 28.7 167.1-119.5 130.5 66.9 19.2 35.4 9 9 A S E + b 0 101A 6 91,-1.7 93,-1.3 -2,-0.4 2,-0.1 -0.936 38.3 38.8-140.3 167.9 67.1 20.1 39.1 10 10 A G S S- 0 0 39 -2,-0.3 2,-0.2 61,-0.2 115,-0.1 -0.464 111.6 -16.1 87.7-171.7 66.7 23.2 41.3 11 11 A G S S- 0 0 30 -2,-0.1 91,-0.2 1,-0.1 -2,-0.1 -0.476 81.5-116.2 -60.1 132.6 63.9 25.7 40.6 12 12 A D - 0 0 41 -2,-0.2 114,-0.3 58,-0.1 -1,-0.1 -0.348 32.9-165.0 -68.1 155.4 62.6 25.2 37.0 13 13 A S > - 0 0 0 112,-0.1 3,-1.6 52,-0.1 4,-0.2 -0.990 29.6 -96.2-142.5 147.1 63.1 28.0 34.5 14 14 A P T 3 S+ 0 0 0 0, 0.0 127,-0.2 0, 0.0 50,-0.2 -0.473 111.4 41.3 -65.5 134.0 61.5 28.7 31.0 15 15 A G T 3> S+ 0 0 0 48,-0.6 4,-1.6 50,-0.3 5,-0.1 0.288 78.9 109.2 108.3 -6.0 63.9 27.5 28.3 16 16 A M H <> S+ 0 0 0 -3,-1.6 4,-2.7 49,-0.3 5,-0.2 0.889 79.3 51.8 -69.5 -37.1 64.7 24.2 30.2 17 17 A N H > S+ 0 0 6 48,-0.8 4,-2.8 46,-0.5 -1,-0.2 0.903 107.4 52.2 -64.8 -37.4 62.7 22.3 27.6 18 18 A A H > S+ 0 0 0 43,-0.3 4,-1.4 45,-0.3 -1,-0.2 0.855 110.5 48.8 -66.3 -34.4 64.7 24.0 24.8 19 19 A A H X S+ 0 0 0 -4,-1.6 4,-2.8 2,-0.2 5,-0.2 0.951 111.6 47.6 -68.2 -54.8 68.0 23.0 26.5 20 20 A V H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.942 111.3 52.5 -46.9 -52.1 66.8 19.3 26.9 21 21 A R H X S+ 0 0 69 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.869 111.3 47.8 -54.0 -36.7 65.7 19.3 23.3 22 22 A A H X S+ 0 0 9 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.873 109.3 50.9 -76.0 -40.8 69.2 20.6 22.3 23 23 A V H X S+ 0 0 0 -4,-2.8 4,-1.6 2,-0.2 -2,-0.2 0.900 114.9 45.4 -60.2 -40.8 71.1 18.0 24.4 24 24 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 5,-0.2 0.961 115.7 42.9 -71.1 -51.2 69.0 15.3 22.8 25 25 A R H X S+ 0 0 93 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.859 114.3 51.6 -64.5 -35.4 69.2 16.4 19.2 26 26 A K H X S+ 0 0 52 -4,-2.1 4,-0.7 -5,-0.2 -1,-0.2 0.887 112.5 44.8 -72.0 -38.2 72.9 17.2 19.4 27 27 A A H ><>S+ 0 0 0 -4,-1.6 5,-2.2 -5,-0.2 3,-0.9 0.913 112.9 50.0 -70.0 -46.6 73.8 13.8 20.8 28 28 A I H ><5S+ 0 0 50 -4,-2.5 3,-1.2 1,-0.3 -2,-0.2 0.795 103.1 62.6 -62.5 -26.7 71.6 11.9 18.4 29 29 A Y H 3<5S+ 0 0 178 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.857 108.5 42.7 -63.7 -31.1 73.3 13.9 15.7 30 30 A H T <<5S- 0 0 78 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.165 121.7-103.8-103.4 16.6 76.5 12.2 16.8 31 31 A D T < 5S+ 0 0 125 -3,-1.2 2,-0.5 1,-0.2 -3,-0.2 0.831 76.1 137.5 63.3 37.5 75.1 8.7 17.2 32 32 A V < - 0 0 7 -5,-2.2 -29,-0.2 -8,-0.1 -1,-0.2 -0.950 51.5-128.5-115.0 128.4 75.0 8.9 21.0 33 33 A E E -a 3 0A 66 -31,-3.1 -29,-2.5 -2,-0.5 2,-0.4 -0.475 22.2-152.7 -71.1 146.6 72.0 7.5 23.0 34 34 A V E -aC 4 52A 1 18,-0.5 18,-3.3 -31,-0.2 2,-0.5 -0.981 5.3-159.0-126.4 134.8 70.3 9.8 25.5 35 35 A Y E -aC 5 51A 37 -31,-2.4 -29,-2.3 -2,-0.4 2,-0.6 -0.927 14.1-138.3-114.3 126.5 68.4 8.9 28.6 36 36 A G E -aC 6 50A 0 14,-3.2 14,-2.5 -2,-0.5 2,-0.6 -0.742 14.8-159.0 -82.2 117.8 66.0 11.2 30.3 37 37 A I E - C 0 49A 0 -31,-2.5 -29,-0.4 -2,-0.6 3,-0.4 -0.895 17.2-145.8 -98.3 119.7 66.4 11.1 34.1 38 38 A Y + 0 0 20 10,-2.3 31,-0.2 -2,-0.6 10,-0.2 -0.537 67.2 21.8 -94.2 151.9 63.1 12.3 35.8 39 39 A N S > S- 0 0 55 29,-2.7 3,-1.7 -2,-0.2 31,-0.3 0.882 108.4 -92.9 66.4 39.1 62.6 14.3 39.0 40 40 A G T > S- 0 0 0 29,-1.0 3,-1.3 -32,-0.4 4,-0.4 -0.268 94.6 -16.5 59.4-141.0 66.1 15.7 39.1 41 41 A Y T >> S+ 0 0 16 30,-0.5 3,-0.8 1,-0.2 4,-0.7 0.672 127.3 77.6 -67.0 -18.3 68.6 13.7 41.1 42 42 A A H <> S+ 0 0 26 -3,-1.7 4,-1.9 29,-0.3 -1,-0.2 0.643 88.2 60.2 -68.0 -11.2 65.6 11.8 42.7 43 43 A G H <> S+ 0 0 0 -3,-1.3 4,-1.3 2,-0.2 5,-0.5 0.736 92.4 62.4 -87.0 -27.1 65.4 9.9 39.5 44 44 A L H <4 S+ 0 0 0 -3,-0.8 44,-0.4 -4,-0.4 -1,-0.2 0.753 113.2 39.2 -65.6 -23.0 68.9 8.4 39.8 45 45 A I H < S+ 0 0 24 -4,-0.7 -2,-0.2 1,-0.1 -1,-0.1 0.878 119.5 40.5 -92.3 -49.3 67.6 6.8 43.0 46 46 A S H < S- 0 0 82 -4,-1.9 -3,-0.2 2,-0.1 -2,-0.2 0.703 103.5-129.8 -71.1 -16.8 64.0 5.7 42.0 47 47 A G < + 0 0 28 -4,-1.3 2,-1.7 1,-0.2 -3,-0.2 0.746 49.7 159.7 69.7 22.6 65.5 4.7 38.7 48 48 A K + 0 0 116 -5,-0.5 -10,-2.3 -6,-0.2 2,-0.4 -0.626 25.5 139.9 -77.3 89.9 62.8 6.6 36.9 49 49 A I E -C 37 0A 28 -2,-1.7 2,-0.4 -12,-0.2 -12,-0.2 -0.999 28.2-179.8-143.4 133.9 64.8 6.8 33.7 50 50 A E E -C 36 0A 114 -14,-2.5 -14,-3.2 -2,-0.4 2,-0.1 -0.992 34.6-105.7-143.1 141.6 63.8 6.4 30.1 51 51 A K E -C 35 0A 71 -2,-0.4 2,-0.5 -16,-0.3 -16,-0.3 -0.456 36.6-140.0 -61.6 137.4 65.5 6.5 26.7 52 52 A L E -C 34 0A 4 -18,-3.3 -18,-0.5 -2,-0.1 2,-0.2 -0.922 18.5-164.5-103.3 124.6 64.7 9.8 25.0 53 53 A E >> - 0 0 92 -2,-0.5 3,-1.1 -20,-0.1 4,-0.7 -0.537 36.8 -98.6 -98.8 170.3 64.0 9.6 21.2 54 54 A L G >4 S+ 0 0 83 1,-0.3 3,-1.2 2,-0.2 -29,-0.1 0.897 124.8 53.4 -51.0 -47.7 63.9 12.3 18.6 55 55 A G G >4 S+ 0 0 68 1,-0.3 3,-1.1 2,-0.2 -1,-0.3 0.697 95.4 71.8 -66.4 -18.9 60.1 12.5 18.8 56 56 A S G <4 S+ 0 0 34 -3,-1.1 3,-0.3 1,-0.2 -1,-0.3 0.867 106.4 34.8 -60.0 -38.7 60.5 12.9 22.5 57 57 A V G X< S+ 0 0 0 -3,-1.2 3,-0.6 -4,-0.7 4,-0.3 0.033 90.2 106.2-105.2 26.6 61.8 16.5 22.0 58 58 A G T < S+ 0 0 46 -3,-1.1 -1,-0.2 1,-0.2 -2,-0.1 0.449 86.0 27.1 -93.1 -0.9 59.7 17.3 19.0 59 59 A D T 3 S+ 0 0 101 -3,-0.3 -1,-0.2 -4,-0.1 -2,-0.1 -0.116 101.6 79.4-153.2 40.1 57.1 19.7 20.5 60 60 A I X + 0 0 16 -3,-0.6 3,-2.7 -43,-0.1 -42,-0.2 0.550 53.0 96.5-126.7 -12.9 58.8 21.3 23.5 61 61 A I T 3 S+ 0 0 49 1,-0.3 -43,-0.3 -4,-0.3 -44,-0.1 0.884 96.3 41.9 -53.3 -38.4 61.2 24.1 22.3 62 62 A H T 3 S+ 0 0 57 -45,-0.1 2,-0.4 193,-0.1 -1,-0.3 0.323 95.8 109.1 -88.7 10.3 58.4 26.7 23.0 63 63 A R < - 0 0 115 -3,-2.7 -48,-0.6 192,-0.2 -46,-0.5 -0.728 61.2-135.4-101.4 134.2 57.3 25.2 26.3 64 64 A G + 0 0 27 -2,-0.4 191,-0.1 -50,-0.2 189,-0.1 -0.185 69.7 22.8 -68.0 170.0 57.7 26.5 29.8 65 65 A G S S- 0 0 14 187,-0.3 -48,-0.8 189,-0.3 2,-0.4 -0.113 96.2 -67.8 72.9-168.3 58.9 24.3 32.6 66 66 A T > - 0 0 18 -50,-0.1 3,-1.2 -49,-0.1 4,-0.1 -0.992 23.0-156.1-127.8 124.8 60.8 21.0 32.3 67 67 A K T 3 S+ 0 0 67 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.593 99.8 57.8 -73.9 -10.0 59.3 17.8 30.9 68 68 A L T 3 S- 0 0 0 1,-0.1 -29,-2.7 -30,-0.1 -28,-0.3 0.515 105.0-141.8 -89.6 -6.2 61.8 15.8 32.9 69 69 A Y < - 0 0 135 -3,-1.2 -29,-1.0 -31,-0.2 -61,-0.5 0.131 10.3-122.2 63.7 171.6 60.4 17.4 36.1 70 70 A T + 0 0 42 -31,-0.3 2,-0.3 -32,-0.1 -61,-0.2 -0.998 28.5 168.5-152.4 149.7 62.6 18.4 39.0 71 71 A A - 0 0 36 -2,-0.3 -30,-0.5 -63,-0.3 2,-0.4 -0.995 37.8 -98.8-159.5 154.4 62.8 17.7 42.7 72 72 A R - 0 0 238 -2,-0.3 3,-0.2 -32,-0.1 -2,-0.0 -0.641 32.4-168.5 -78.8 131.1 65.0 18.1 45.8 73 73 A C > + 0 0 24 -2,-0.4 4,-0.6 1,-0.2 3,-0.2 -0.692 26.2 155.9-126.4 83.2 67.2 15.0 46.6 74 74 A P H >> S+ 0 0 88 0, 0.0 3,-1.6 0, 0.0 4,-0.9 0.901 78.6 67.2 -64.7 -39.6 68.8 15.1 50.0 75 75 A E H >4 S+ 0 0 88 1,-0.3 3,-1.5 2,-0.2 6,-0.5 0.891 94.9 56.5 -41.3 -49.4 68.9 11.3 49.8 76 76 A F H 34 S+ 0 0 8 1,-0.3 -1,-0.3 5,-0.2 9,-0.1 0.727 96.5 62.6 -63.3 -26.9 71.4 11.6 46.9 77 77 A K H << S+ 0 0 167 -3,-1.6 -1,-0.3 -4,-0.6 -2,-0.2 0.769 89.7 86.2 -68.6 -27.2 73.8 13.6 49.0 78 78 A T S S+ 0 0 89 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.896 113.9 50.2 -58.0 -40.6 76.7 8.0 50.4 80 80 A E H > S+ 0 0 137 2,-0.2 4,-2.0 1,-0.2 3,-0.3 0.987 113.3 41.8 -60.3 -65.0 73.9 5.4 50.3 81 81 A G H > S+ 0 0 0 -6,-0.5 4,-1.8 1,-0.2 -5,-0.2 0.860 113.6 56.7 -50.0 -38.6 71.6 7.4 48.1 82 82 A R H X S+ 0 0 39 -4,-2.7 4,-2.4 -7,-0.4 -1,-0.2 0.920 108.8 43.8 -63.2 -45.9 74.6 8.4 46.0 83 83 A E H X S+ 0 0 75 -4,-2.2 4,-2.2 -3,-0.3 -1,-0.2 0.748 108.4 56.3 -76.0 -25.7 75.6 4.8 45.3 84 84 A K H X S+ 0 0 110 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.878 110.7 50.3 -63.3 -38.3 72.0 3.7 44.5 85 85 A G H X S+ 0 0 0 -4,-1.8 4,-1.7 -5,-0.3 3,-0.4 0.967 110.8 44.9 -60.7 -56.5 72.3 6.5 42.0 86 86 A I H X S+ 0 0 5 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.857 110.1 56.3 -57.6 -38.8 75.5 5.3 40.5 87 87 A A H X S+ 0 0 54 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.869 105.4 50.5 -65.3 -37.6 74.2 1.7 40.4 88 88 A N H X S+ 0 0 31 -4,-1.6 4,-1.3 -3,-0.4 -1,-0.2 0.892 110.7 51.0 -65.9 -38.3 71.2 2.7 38.3 89 89 A L H >X>S+ 0 0 0 -4,-1.7 5,-2.2 2,-0.2 3,-0.7 0.955 112.5 43.7 -61.9 -55.2 73.6 4.5 35.9 90 90 A K H ><5S+ 0 0 134 -4,-2.8 3,-1.0 1,-0.2 -1,-0.2 0.887 107.4 62.4 -55.9 -39.9 75.9 1.5 35.5 91 91 A K H 3<5S+ 0 0 169 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.857 114.6 32.1 -56.4 -37.5 72.8 -0.7 35.2 92 92 A L H <<5S- 0 0 57 -4,-1.3 -1,-0.3 -3,-0.7 -2,-0.2 0.373 111.9-121.9 -99.9 1.6 71.8 1.3 32.0 93 93 A G T <<5 + 0 0 27 -3,-1.0 2,-0.4 -4,-0.6 -3,-0.2 0.794 48.9 167.1 60.1 31.5 75.4 1.9 31.1 94 94 A I < - 0 0 2 -5,-2.2 -1,-0.2 -6,-0.2 -90,-0.2 -0.665 15.0-172.8 -75.7 127.4 75.0 5.7 31.1 95 95 A E + 0 0 78 -92,-3.1 2,-0.3 -2,-0.4 -91,-0.2 0.637 58.4 12.3-101.2 -18.1 78.6 7.1 30.9 96 96 A G E -b 4 0A 0 -93,-0.6 -91,-3.1 21,-0.2 2,-0.4 -0.991 61.0-139.1-158.3 159.2 78.0 10.8 31.4 97 97 A L E -bd 5 119A 0 21,-2.1 23,-2.7 -2,-0.3 2,-0.6 -0.970 7.4-152.9-128.5 141.0 75.4 13.4 32.4 98 98 A V E -bd 6 120A 0 -93,-2.3 -91,-1.8 -2,-0.4 2,-0.6 -0.974 24.3-159.1 -99.7 119.5 74.3 16.9 31.3 99 99 A V E -bd 7 121A 0 21,-2.6 23,-3.1 -2,-0.6 2,-0.6 -0.893 4.7-164.7-104.9 117.1 72.9 18.6 34.4 100 100 A I E +bd 8 122A 0 -93,-3.3 -91,-1.7 -2,-0.6 2,-0.3 -0.887 44.9 36.2-105.4 118.9 70.5 21.5 33.7 101 101 A G E S+bd 9 123A 0 21,-3.2 23,-1.4 -2,-0.6 -91,-0.2 -0.994 80.1 1.9 152.4-152.1 69.6 23.9 36.5 102 102 A G > - 0 0 4 -93,-1.3 4,-0.6 -2,-0.3 20,-0.1 0.299 64.2-100.3 -65.3-173.2 70.7 25.8 39.6 103 103 A D T 4 S+ 0 0 34 2,-0.2 4,-0.4 1,-0.2 -1,-0.1 0.656 119.7 65.5 -91.1 -18.6 73.9 26.1 41.5 104 104 A G T >> S+ 0 0 61 1,-0.2 3,-1.5 2,-0.1 4,-0.6 0.953 101.8 53.4 -52.7 -48.4 72.7 23.6 44.0 105 105 A S H 3> S+ 0 0 6 1,-0.3 4,-1.1 2,-0.2 3,-0.3 0.730 90.5 70.9 -65.3 -27.6 72.8 21.2 41.1 106 106 A Y H 3X S+ 0 0 4 -4,-0.6 4,-1.1 1,-0.2 -1,-0.3 0.708 93.5 60.5 -63.6 -17.3 76.4 21.8 40.0 107 107 A M H <> S+ 0 0 88 -3,-1.5 4,-2.1 -4,-0.4 3,-0.3 0.911 99.8 52.3 -76.5 -43.9 77.5 20.0 43.2 108 108 A G H X S+ 0 0 10 -4,-0.6 4,-1.9 -3,-0.3 -1,-0.2 0.822 109.7 52.0 -55.5 -33.7 75.9 16.7 42.2 109 109 A A H X S+ 0 0 0 -4,-1.1 4,-1.2 2,-0.2 10,-0.3 0.761 108.3 46.6 -82.6 -28.9 77.7 16.9 38.9 110 110 A K H X S+ 0 0 35 -4,-1.1 4,-2.0 -3,-0.3 -2,-0.2 0.839 110.8 55.7 -77.5 -37.1 81.2 17.4 40.2 111 111 A K H X S+ 0 0 51 -4,-2.1 4,-0.9 1,-0.2 -2,-0.2 0.953 108.8 46.2 -54.7 -53.5 80.5 14.6 42.7 112 112 A L H <>S+ 0 0 1 -4,-1.9 5,-2.7 1,-0.2 3,-0.5 0.854 108.2 57.4 -59.9 -36.3 79.6 12.2 39.8 113 113 A T H ><5S+ 0 0 32 -4,-1.2 3,-1.4 1,-0.2 -1,-0.2 0.914 104.2 51.1 -63.9 -42.6 82.7 13.3 37.8 114 114 A E H 3<5S+ 0 0 122 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.699 106.9 56.7 -66.3 -20.3 85.0 12.3 40.7 115 115 A H T 3<5S- 0 0 67 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 -0.053 130.3 -90.5-102.9 30.3 83.3 8.9 40.7 116 116 A G T < 5S+ 0 0 60 -3,-1.4 -3,-0.2 1,-0.1 -2,-0.1 0.474 98.6 110.4 82.0 3.1 84.0 8.2 37.0 117 117 A F < - 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0 0 4 0, 0.0 -1,-0.1 0, 0.0 -241,-0.1 -0.221 29.3-107.8 -62.7 145.4 60.5 31.2 27.0 257 257 A S > - 0 0 22 -243,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.064 34.0-103.5 -57.9 163.3 61.5 34.4 25.2 258 258 A A H > S+ 0 0 77 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.897 123.5 57.7 -57.6 -38.7 63.5 34.1 21.9 259 259 A A H > S+ 0 0 49 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.922 108.0 44.3 -59.2 -46.9 66.6 35.0 23.9 260 260 A D H > S+ 0 0 4 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.856 111.3 53.4 -69.6 -38.1 66.2 32.1 26.3 261 261 A R H X S+ 0 0 74 -4,-2.2 4,-3.1 2,-0.2 5,-0.2 0.967 113.0 43.6 -58.3 -52.7 65.4 29.6 23.5 262 262 A V H X S+ 0 0 82 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.930 115.2 48.5 -58.9 -47.3 68.6 30.5 21.7 263 263 A L H X S+ 0 0 16 -4,-2.3 4,-2.9 -5,-0.2 5,-0.3 0.948 113.8 46.3 -59.5 -48.6 70.7 30.5 24.8 264 264 A A H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 5,-0.3 0.928 113.4 49.4 -63.5 -44.5 69.3 27.2 25.9 265 265 A S H X S+ 0 0 34 -4,-3.1 4,-1.9 -5,-0.2 5,-0.2 0.929 114.4 45.5 -57.3 -45.6 69.8 25.7 22.5 266 266 A R H X S+ 0 0 108 -4,-2.9 4,-1.7 -5,-0.2 -2,-0.2 0.922 117.8 41.1 -66.9 -42.9 73.4 27.0 22.3 267 267 A L H X S+ 0 0 0 -4,-2.9 4,-2.6 -5,-0.2 -2,-0.2 0.868 112.2 55.2 -76.9 -35.5 74.4 25.9 25.8 268 268 A G H X S+ 0 0 0 -4,-2.7 4,-1.9 -5,-0.3 -2,-0.2 0.965 112.5 41.8 -59.4 -54.1 72.7 22.5 25.6 269 269 A A H X S+ 0 0 24 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.2 0.885 112.9 55.3 -61.1 -37.2 74.5 21.5 22.5 270 270 A Y H X S+ 0 0 34 -4,-1.7 4,-1.5 -5,-0.2 -1,-0.2 0.933 104.8 53.4 -62.2 -44.4 77.7 23.0 23.8 271 271 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 3,-0.5 0.924 107.4 49.3 -57.9 -51.7 77.5 20.8 26.9 272 272 A V H X S+ 0 0 0 -4,-1.9 4,-3.0 1,-0.2 -1,-0.2 0.905 105.7 61.1 -49.8 -45.7 77.1 17.6 24.9 273 273 A E H < S+ 0 0 85 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.862 107.9 41.6 -50.0 -46.0 80.2 18.7 22.9 274 274 A L H ><>S+ 0 0 4 -4,-1.5 5,-2.3 -3,-0.5 3,-1.2 0.843 112.2 53.4 -77.3 -35.9 82.4 18.7 26.0 275 275 A L H ><5S+ 0 0 2 -4,-2.0 3,-2.0 1,-0.3 -2,-0.2 0.981 109.6 49.1 -58.1 -55.0 81.0 15.5 27.4 276 276 A L T 3<5S+ 0 0 56 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.323 108.6 60.0 -65.6 9.9 81.8 13.8 24.1 277 277 A E T < 5S- 0 0 105 -3,-1.2 -1,-0.3 2,-0.2 -2,-0.2 0.484 118.7-100.9-121.1 -8.6 85.2 15.3 24.3 278 278 A G T < 5S+ 0 0 72 -3,-2.0 2,-0.4 -4,-0.4 -3,-0.2 0.562 79.5 132.2 94.4 10.4 86.6 13.8 27.5 279 279 A K < + 0 0 93 -5,-2.3 -1,-0.4 -6,-0.1 2,-0.3 -0.815 27.7 168.5 -92.6 134.9 85.9 17.0 29.6 280 280 A G + 0 0 26 -2,-0.4 -160,-0.2 1,-0.1 3,-0.1 -0.966 52.2 37.5-144.7 158.3 84.1 16.5 32.9 281 281 A G S S+ 0 0 0 -162,-1.7 15,-3.0 -2,-0.3 16,-0.3 0.759 88.3 127.0 70.1 27.4 83.4 18.6 36.0 282 282 A R E -eF 120 295A 71 -163,-1.0 -161,-2.8 13,-0.2 2,-0.3 -0.814 45.1-159.1-114.1 154.8 82.8 21.6 33.7 283 283 A C E -eF 121 294A 0 11,-1.9 11,-2.6 -2,-0.3 -161,-0.2 -0.949 15.2-145.0-124.0 149.7 79.9 24.1 33.4 284 284 A V E + F 0 293A 2 -163,-2.2 2,-0.3 -2,-0.3 9,-0.3 -0.584 27.7 139.8-106.8 175.7 79.2 26.2 30.4 285 285 A G E - 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0 0 163 1,-0.1 2,-0.1 -172,-0.0 -1,-0.1 -0.627 22.1 -99.7-101.5 146.8 80.9 35.7 44.1 304 304 A H - 0 0 55 -2,-0.2 2,-0.4 -175,-0.1 -1,-0.1 -0.328 34.2-170.8 -75.3 136.1 78.0 37.3 42.1 305 305 A T - 0 0 96 -2,-0.1 2,-0.2 -132,-0.0 -132,-0.0 -0.962 14.5-156.2-122.0 140.1 78.0 40.8 40.7 306 306 A V - 0 0 10 -2,-0.4 2,-0.8 -113,-0.0 3,-0.1 -0.567 47.9 -92.6 -87.9 170.5 75.3 43.0 39.1 307 307 A E >> - 0 0 116 -2,-0.2 3,-1.4 1,-0.2 4,-0.9 -0.806 34.6-162.3 -88.0 112.9 76.7 45.7 36.9 308 308 A Q H >> S+ 0 0 88 -2,-0.8 4,-2.5 1,-0.3 3,-0.5 0.859 88.6 64.6 -65.1 -34.0 77.1 48.8 39.2 309 309 A N H 3> S+ 0 0 124 1,-0.3 4,-1.2 2,-0.2 -1,-0.3 0.740 101.8 52.5 -57.7 -23.6 77.3 51.1 36.2 310 310 A M H <> S+ 0 0 31 -3,-1.4 4,-1.5 2,-0.2 -1,-0.3 0.777 106.1 51.7 -83.8 -30.3 73.7 49.9 35.5 311 311 A Y H X S+ 0 0 114 -4,-2.5 4,-2.4 1,-0.2 3,-0.8 0.962 107.0 53.9 -47.5 -54.4 74.0 54.3 38.7 313 313 A L H 3X S+ 0 0 67 -4,-1.2 4,-2.0 1,-0.3 -1,-0.2 0.893 103.6 54.5 -52.7 -46.0 72.1 54.8 35.5 314 314 A S H 3X S+ 0 0 12 -4,-1.5 4,-0.5 1,-0.2 -1,-0.3 0.858 109.5 49.0 -56.0 -36.8 68.8 53.8 37.2 315 315 A K H XX S+ 0 0 61 -4,-1.7 4,-1.2 -3,-0.8 3,-1.0 0.951 111.5 49.0 -65.1 -49.6 69.4 56.6 39.7 316 316 A E H 3< S+ 0 0 111 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.744 113.1 46.6 -62.9 -26.9 70.2 59.1 37.0 317 317 A L H 3< S+ 0 0 119 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.503 109.1 53.8 -98.0 -2.7 67.1 58.3 35.0 318 318 A S H << 0 0 11 -3,-1.0 -2,-0.2 -4,-0.5 -1,-0.1 0.792 360.0 360.0 -96.6 -31.6 64.6 58.3 37.9 319 319 A I < 0 0 120 -4,-1.2 -2,-0.1 -111,-0.0 -1,-0.1 0.566 360.0 360.0 -22.0 360.0 65.2 61.7 39.5 320 !* 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 0.0 321 1 B M 0 0 75 0, 0.0 3,-0.1 0, 0.0 275,-0.0 0.000 360.0 360.0 360.0 132.3 128.7 43.3 75.7 322 2 B K + 0 0 125 1,-0.3 31,-3.2 30,-0.1 2,-0.4 0.520 360.0 41.7-121.3 -14.0 125.4 42.0 74.4 323 3 B R E +l 353 0E 76 29,-0.2 92,-3.1 90,-0.1 93,-0.6 -0.954 59.5 167.8-147.5 122.7 123.0 42.8 77.2 324 4 B I E -lm 354 416E 0 29,-2.7 31,-2.4 -2,-0.4 2,-0.3 -0.815 20.5-138.9-126.4 165.8 122.6 45.9 79.4 325 5 B G E -lm 355 417E 0 91,-3.0 93,-2.5 -2,-0.3 2,-0.3 -0.838 11.7-161.4-120.8 160.2 120.1 47.4 81.8 326 6 B V E +lm 356 418E 0 29,-2.4 31,-2.5 -2,-0.3 2,-0.3 -0.998 13.4 165.5-145.0 140.7 118.8 51.0 82.3 327 7 B L E - m 0 419E 0 91,-1.9 93,-3.4 -2,-0.3 2,-0.4 -0.986 26.3-135.9-151.3 160.9 117.0 52.7 85.2 328 8 B T E + m 0 420E 0 61,-0.5 32,-0.5 29,-0.4 63,-0.3 -0.979 29.4 166.8-119.8 129.2 116.1 56.1 86.6 329 9 B S E + m 0 421E 8 91,-1.5 93,-1.2 -2,-0.4 115,-0.2 -0.927 38.5 38.2-140.1 168.2 116.5 57.1 90.3 330 10 B G S S- 0 0 39 -2,-0.3 2,-0.2 61,-0.2 115,-0.1 -0.432 112.3 -16.0 84.7-170.5 116.4 60.1 92.6 331 11 B G S S- 0 0 33 -2,-0.1 91,-0.2 1,-0.1 -2,-0.1 -0.481 81.0-115.6 -62.3 130.6 113.9 62.9 91.8 332 12 B D - 0 0 44 -2,-0.2 114,-0.3 58,-0.1 -1,-0.1 -0.286 32.7-166.1 -62.8 153.0 112.4 62.5 88.3 333 13 B S > - 0 0 0 112,-0.1 3,-1.7 52,-0.1 4,-0.3 -0.986 30.1 -96.4-140.9 149.3 113.2 65.3 85.8 334 14 B P T 3 S+ 0 0 0 0, 0.0 127,-0.2 0, 0.0 50,-0.2 -0.485 111.3 42.8 -69.8 134.5 111.7 66.1 82.3 335 15 B G T 3> S+ 0 0 0 48,-0.6 4,-1.5 50,-0.3 5,-0.1 0.287 78.9 108.3 109.8 -8.2 113.8 64.6 79.6 336 16 B M H <> S+ 0 0 0 -3,-1.7 4,-2.6 49,-0.3 5,-0.2 0.884 79.5 51.7 -69.5 -38.8 114.3 61.3 81.4 337 17 B N H > S+ 0 0 7 48,-0.9 4,-2.8 46,-0.5 -1,-0.2 0.907 107.5 52.6 -60.3 -36.5 112.1 59.6 78.9 338 18 B A H > S+ 0 0 0 43,-0.3 4,-1.4 45,-0.2 -1,-0.2 0.849 110.4 48.3 -70.9 -30.6 114.1 61.1 76.1 339 19 B A H X S+ 0 0 0 -4,-1.5 4,-2.8 2,-0.2 5,-0.2 0.946 111.6 48.0 -71.2 -51.6 117.3 59.7 77.7 340 20 B V H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.939 111.0 52.2 -50.9 -50.2 115.8 56.2 78.2 341 21 B R H X S+ 0 0 69 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.869 111.1 48.3 -55.0 -37.1 114.6 56.4 74.6 342 22 B A H X S+ 0 0 8 -4,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.875 109.1 50.9 -75.5 -37.3 118.2 57.2 73.5 343 23 B V H X S+ 0 0 0 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.883 114.7 45.4 -65.2 -37.5 119.8 54.5 75.5 344 24 B V H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.2 5,-0.3 0.970 115.2 43.6 -73.4 -53.0 117.4 51.9 74.0 345 25 B R H X S+ 0 0 96 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.869 114.5 51.2 -60.8 -35.9 117.6 53.0 70.4 346 26 B K H X S+ 0 0 52 -4,-2.0 4,-0.7 -5,-0.2 -1,-0.2 0.895 112.4 45.0 -73.3 -38.2 121.4 53.4 70.5 347 27 B A H ><>S+ 0 0 0 -4,-1.6 5,-2.1 -5,-0.2 3,-1.1 0.930 112.4 50.0 -68.4 -47.7 122.0 50.0 72.0 348 28 B I H ><5S+ 0 0 49 -4,-2.6 3,-1.2 1,-0.3 -1,-0.2 0.782 103.0 62.4 -63.9 -26.2 119.6 48.3 69.6 349 29 B Y H 3<5S+ 0 0 178 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.875 108.1 43.9 -62.9 -32.2 121.4 50.1 66.8 350 30 B H T <<5S- 0 0 77 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.143 121.8-104.8-103.0 17.6 124.5 48.1 67.9 351 31 B D T < 5S+ 0 0 129 -3,-1.2 2,-0.5 1,-0.2 -3,-0.2 0.806 75.9 138.0 64.0 34.6 122.7 44.7 68.4 352 32 B V < - 0 0 5 -5,-2.1 -29,-0.2 -8,-0.1 -1,-0.2 -0.933 51.0-128.8-111.3 130.1 122.7 45.0 72.2 353 33 B E E -l 323 0E 65 -31,-3.2 -29,-2.7 -2,-0.5 2,-0.4 -0.495 22.0-153.1 -73.7 147.8 119.7 43.9 74.2 354 34 B V E -l 324 0E 1 18,-0.5 18,-3.0 -31,-0.2 2,-0.5 -0.978 5.1-158.3-127.9 135.0 118.3 46.4 76.8 355 35 B Y E -lN 325 371E 35 -31,-2.4 -29,-2.4 -2,-0.4 2,-0.7 -0.925 13.9-138.3-115.5 127.9 116.4 45.7 79.9 356 36 B G E -lN 326 370E 0 14,-3.2 14,-2.5 -2,-0.5 2,-0.6 -0.732 14.6-159.3 -82.4 118.0 114.2 48.2 81.7 357 37 B I E - N 0 369E 0 -31,-2.5 -29,-0.4 -2,-0.7 3,-0.4 -0.893 17.3-146.0 -98.8 118.3 114.7 48.1 85.4 358 38 B Y + 0 0 23 10,-2.2 31,-0.2 -2,-0.6 10,-0.2 -0.482 66.9 21.6 -92.2 153.1 111.6 49.6 87.1 359 39 B N S > S- 0 0 54 29,-2.6 3,-1.5 -2,-0.2 31,-0.3 0.867 108.5 -91.1 64.9 40.8 111.4 51.7 90.4 360 40 B G T > S- 0 0 0 29,-1.0 3,-1.3 -32,-0.5 4,-0.4 -0.281 94.6 -18.5 59.7-140.7 115.0 52.8 90.5 361 41 B Y T >> S+ 0 0 16 30,-0.6 3,-0.9 1,-0.2 4,-0.6 0.680 127.6 78.2 -69.3 -18.4 117.3 50.5 92.4 362 42 B A H <> S+ 0 0 26 -3,-1.5 4,-1.9 29,-0.3 -1,-0.2 0.627 87.7 60.2 -67.0 -11.5 114.2 49.0 94.1 363 43 B G H <>>S+ 0 0 0 -3,-1.3 4,-1.6 2,-0.2 5,-0.5 0.740 92.2 63.3 -86.6 -27.8 113.7 47.0 90.9 364 44 B L H <45S+ 0 0 0 -3,-0.9 44,-0.4 -4,-0.4 -2,-0.2 0.744 113.0 38.2 -64.4 -22.3 117.0 45.3 91.2 365 45 B I H <5S+ 0 0 21 -4,-0.6 -2,-0.2 1,-0.1 -1,-0.1 0.871 119.4 41.6 -94.5 -48.3 115.6 43.7 94.4 366 46 B S H <5S- 0 0 82 -4,-1.9 -2,-0.2 2,-0.1 -3,-0.2 0.720 102.6-131.3 -69.4 -18.7 112.0 43.1 93.4 367 47 B G T <5 + 0 0 27 -4,-1.6 2,-1.6 1,-0.2 -3,-0.2 0.742 49.5 158.3 68.3 24.3 113.2 41.8 90.1 368 48 B K < + 0 0 112 -5,-0.5 -10,-2.2 -6,-0.2 2,-0.4 -0.664 25.1 140.8 -76.6 90.4 110.7 44.0 88.3 369 49 B I E -N 357 0E 27 -2,-1.6 2,-0.4 -12,-0.2 -12,-0.2 -0.999 27.8-179.1-142.6 133.1 112.7 44.0 85.1 370 50 B E E -N 356 0E 118 -14,-2.5 -14,-3.2 -2,-0.4 2,-0.1 -0.990 34.0-106.2-139.8 141.8 111.5 43.7 81.5 371 51 B K E -N 355 0E 70 -2,-0.4 2,-0.5 -16,-0.3 -16,-0.3 -0.434 35.8-140.7 -58.5 138.0 113.1 43.6 78.1 372 52 B L - 0 0 2 -18,-3.0 -18,-0.5 -2,-0.1 2,-0.2 -0.947 18.3-164.5-103.2 124.2 112.6 47.0 76.3 373 53 B E >> - 0 0 92 -2,-0.5 3,-1.0 -20,-0.1 4,-0.7 -0.514 37.2 -98.4 -96.5 171.4 111.9 46.8 72.6 374 54 B L G >4 S+ 0 0 84 1,-0.3 3,-1.4 2,-0.2 -29,-0.1 0.906 125.1 54.4 -51.1 -48.6 112.0 49.5 70.0 375 55 B G G >4 S+ 0 0 71 1,-0.3 3,-1.0 2,-0.2 -1,-0.3 0.708 95.4 71.1 -64.2 -19.5 108.2 50.0 70.3 376 56 B S G <4 S+ 0 0 34 -3,-1.0 -1,-0.3 1,-0.2 3,-0.3 0.828 106.5 34.6 -61.9 -36.7 108.7 50.5 74.0 377 57 B V G X< S+ 0 0 0 -3,-1.4 3,-0.5 -4,-0.7 4,-0.3 0.001 89.8 105.9-107.4 27.5 110.4 53.9 73.5 378 58 B G T < S+ 0 0 47 -3,-1.0 -1,-0.2 1,-0.2 -2,-0.1 0.422 86.2 27.9 -93.9 2.5 108.3 55.0 70.5 379 59 B D T 3 S+ 0 0 105 -3,-0.3 -1,-0.2 -4,-0.1 -2,-0.1 -0.061 101.7 78.7-152.2 36.2 106.1 57.6 72.0 380 60 B I X + 0 0 15 -3,-0.5 3,-3.0 -43,-0.1 -42,-0.2 0.576 53.3 96.9-124.5 -15.5 108.0 59.0 75.0 381 61 B I T 3 S+ 0 0 50 1,-0.3 -43,-0.3 -4,-0.3 -44,-0.1 0.855 96.1 41.3 -52.0 -39.3 110.6 61.6 73.7 382 62 B H T 3 S+ 0 0 56 -45,-0.1 2,-0.4 193,-0.1 -1,-0.3 0.216 95.7 107.7 -89.1 11.8 108.1 64.4 74.5 383 63 B R < - 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