==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 24-DEC-04 1YDO . COMPND 2 MOLECULE: HMG-COA LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS SUBSP. SUBTILIS; . AUTHOR F.FOROUHAR,M.HUSSAIN,W.EDSTROM,S.M.VOROBIEV,R.XIAO,M.CIANO,L . 1192 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43003.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 904 75.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 168 14.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 2.7 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 . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 7 0.6 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 . 77 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 137 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 416 34.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 35 2.9 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 4 4 4 0 0 8 4 8 0 4 4 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 12 4 8 8 4 0 4 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 . 8 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 0 0 0 0 4 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 X 0 0 164 0, 0.0 2,-0.1 0, 0.0 225,-0.1 0.000 360.0 360.0 360.0 -63.4 44.1 23.4 49.3 2 2 A P - 0 0 111 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.402 360.0-100.0 -66.0 136.8 41.5 25.1 47.1 3 3 A Y - 0 0 37 -2,-0.1 221,-0.1 1,-0.1 220,-0.0 -0.208 48.1 -94.7 -55.3 143.6 38.6 26.7 48.9 4 4 A P - 0 0 31 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.099 23.0-131.0 -57.2 158.3 35.4 24.7 49.0 5 5 A K S S+ 0 0 175 1,-0.2 260,-2.7 259,-0.1 2,-0.4 0.826 88.0 24.1 -82.1 -34.2 32.7 25.3 46.4 6 6 A K B -a 265 0A 74 258,-0.2 2,-0.4 260,-0.1 -1,-0.2 -0.993 62.1-173.8-137.5 140.8 29.8 25.5 48.8 7 7 A V - 0 0 0 258,-2.5 2,-0.5 -2,-0.4 222,-0.2 -0.980 18.4-138.9-138.2 124.8 29.5 26.4 52.4 8 8 A T E -b 229 0B 49 220,-1.6 222,-1.9 -2,-0.4 2,-0.4 -0.711 18.0-164.1 -86.9 121.9 26.5 26.2 54.6 9 9 A I E -b 230 0B 8 -2,-0.5 34,-0.5 257,-0.3 2,-0.5 -0.884 6.9-147.5-106.8 135.5 26.0 29.1 57.0 10 10 A K E -b 231 0B 24 220,-2.7 222,-3.1 -2,-0.4 2,-0.4 -0.880 8.5-138.5-108.0 126.7 23.6 28.9 60.0 11 11 A E E +bc 232 45B 0 33,-1.9 35,-2.2 -2,-0.5 222,-0.2 -0.663 29.4 163.1 -82.0 129.6 21.7 31.9 61.3 12 12 A V >>> + 0 0 0 220,-2.8 5,-1.3 -2,-0.4 4,-1.2 0.131 41.8 109.8-129.9 18.0 21.5 32.2 65.1 13 13 A G H 3>>S+ 0 0 0 219,-0.4 5,-2.1 1,-0.2 4,-0.6 0.938 71.7 56.4 -61.6 -51.9 20.5 35.8 65.4 14 14 A P H 345S+ 0 0 0 0, 0.0 -1,-0.2 0, 0.0 33,-0.1 0.682 125.8 23.5 -57.5 -12.5 16.9 35.4 66.6 15 15 A R H <>5S+ 0 0 19 -3,-0.8 4,-2.7 33,-0.2 5,-0.2 0.694 132.3 27.6-114.6 -79.8 18.3 33.4 69.5 16 16 A D H <5S+ 0 0 16 -4,-1.2 -3,-0.2 1,-0.2 4,-0.1 0.778 128.6 48.3 -57.1 -27.0 22.0 34.0 70.5 17 17 A G T ><4 - 0 0 33 -2,-0.6 4,-2.1 1,-0.1 5,-0.2 -0.145 28.6-120.2 -46.4 135.9 7.9 42.5 70.8 27 27 A T H > S+ 0 0 35 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.866 114.2 49.9 -48.1 -41.6 7.0 38.9 70.4 28 28 A E H > S+ 0 0 119 1,-0.2 4,-2.4 2,-0.2 3,-0.4 0.969 105.8 53.8 -64.8 -52.7 5.2 39.8 67.1 29 29 A D H > S+ 0 0 45 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.846 102.6 59.4 -49.1 -40.1 8.2 41.7 65.6 30 30 A K H X S+ 0 0 4 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.970 108.3 45.3 -54.4 -51.9 10.4 38.7 66.3 31 31 A I H X S+ 0 0 17 -4,-1.4 4,-2.3 -3,-0.4 39,-0.3 0.942 110.6 52.5 -55.6 -51.8 8.0 36.7 64.0 32 32 A T H X S+ 0 0 63 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.862 114.1 44.1 -54.0 -38.0 8.0 39.4 61.4 33 33 A W H X S+ 0 0 1 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.857 111.4 51.0 -75.5 -38.9 11.8 39.4 61.4 34 34 A I H X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.2 -2,-0.2 0.779 105.7 59.0 -69.3 -27.0 12.2 35.7 61.3 35 35 A N H X S+ 0 0 22 -4,-2.3 4,-1.7 -5,-0.3 -1,-0.2 0.946 104.6 48.5 -66.0 -48.0 9.8 35.6 58.4 36 36 A Q H >< S+ 0 0 44 -4,-1.3 3,-0.5 1,-0.2 -2,-0.2 0.966 111.9 50.2 -54.3 -53.8 12.1 37.8 56.4 37 37 A L H ><>S+ 0 0 0 -4,-2.1 3,-1.6 1,-0.2 5,-0.5 0.918 103.2 59.4 -50.6 -51.0 15.0 35.5 57.3 38 38 A S H ><5S+ 0 0 5 -4,-2.7 3,-0.6 1,-0.3 2,-0.4 0.872 110.5 42.4 -47.2 -45.6 13.1 32.4 56.3 39 39 A R T <<5S+ 0 0 110 -4,-1.7 -1,-0.3 -3,-0.5 -2,-0.1 -0.279 93.1 88.8-100.3 50.4 12.7 33.7 52.8 40 40 A T T < 5S- 0 0 0 -3,-1.6 229,-2.0 -2,-0.4 233,-0.3 0.612 107.4 -98.6-114.0 -24.8 16.2 35.0 52.6 41 41 A G T < 5S+ 0 0 24 -3,-0.6 -3,-0.1 1,-0.5 -2,-0.1 0.048 81.2 131.1 125.6 -23.4 18.0 31.9 51.2 42 42 A L < - 0 0 4 -5,-0.5 -1,-0.5 1,-0.1 -2,-0.2 -0.273 43.1-160.1 -57.5 148.9 19.3 30.7 54.6 43 43 A S S S+ 0 0 48 -34,-0.5 33,-1.9 1,-0.2 2,-0.3 0.217 71.7 45.8-117.0 10.7 18.5 27.0 55.1 44 44 A Y E + d 0 76B 6 -35,-0.2 -33,-1.9 31,-0.2 2,-0.3 -0.940 57.5 170.0-156.5 131.0 18.9 27.0 58.9 45 45 A I E -cd 11 77B 0 31,-2.6 33,-1.8 -2,-0.3 2,-1.6 -0.919 29.5-143.6-148.4 118.3 17.6 29.3 61.7 46 46 A E E - d 0 78B 0 -35,-2.2 33,-0.2 -2,-0.3 -30,-0.1 -0.635 22.8-173.2 -79.1 92.8 17.6 29.0 65.4 47 47 A I E - 0 0 1 -2,-1.6 2,-0.3 31,-1.1 -1,-0.2 0.813 56.2 -34.7 -57.5 -33.4 14.2 30.7 66.0 48 48 A T E - d 0 79B 0 30,-0.8 32,-1.8 -3,-0.1 2,-0.4 -0.971 57.3 -96.0-170.9-176.6 14.5 30.6 69.8 49 49 A S E - d 0 80B 1 -2,-0.3 13,-0.2 30,-0.3 32,-0.2 -0.963 11.7-155.2-123.1 137.4 15.7 29.0 73.0 50 50 A F + 0 0 12 30,-2.8 2,-0.2 -2,-0.4 33,-0.2 -0.081 50.2 131.2-101.1 32.6 13.6 26.9 75.3 51 51 A V S S- 0 0 22 1,-0.1 11,-0.1 30,-0.1 5,-0.1 -0.567 79.9 -74.2 -77.8 151.0 15.7 27.6 78.4 52 52 A H >> - 0 0 110 -2,-0.2 3,-2.5 1,-0.2 4,-1.1 -0.246 43.1-125.5 -49.6 123.4 13.5 28.6 81.4 53 53 A P T 34 S+ 0 0 59 0, 0.0 -1,-0.2 0, 0.0 6,-0.2 0.661 103.7 75.7 -44.3 -22.6 12.2 32.2 80.8 54 54 A K T 34 S+ 0 0 78 1,-0.2 903,-0.1 2,-0.2 -2,-0.1 0.854 103.9 34.4 -61.5 -36.4 13.6 33.1 84.2 55 55 A W T <4 S+ 0 0 139 -3,-2.5 866,-0.3 1,-0.2 -1,-0.2 0.750 127.4 38.1 -91.2 -25.9 17.2 33.1 82.8 56 56 A I >< + 0 0 13 -4,-1.1 3,-2.7 1,-0.1 -1,-0.2 -0.470 62.5 161.3-125.3 63.0 16.4 34.4 79.3 57 57 A P G > S+ 0 0 26 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.734 72.8 66.8 -53.1 -25.3 13.6 37.0 79.8 58 58 A A G 3 S+ 0 0 8 1,-0.3 -33,-0.3 861,-0.2 3,-0.1 0.689 110.1 36.1 -71.3 -17.5 14.4 38.4 76.3 59 59 A L G X S+ 0 0 2 -3,-2.7 3,-1.0 -6,-0.2 -1,-0.3 -0.171 72.9 126.4-127.8 40.9 13.1 35.2 74.8 60 60 A R T < + 0 0 127 -3,-1.1 3,-0.3 1,-0.3 4,-0.1 0.676 69.0 67.1 -71.4 -14.5 10.3 34.3 77.2 61 61 A D T 3> + 0 0 7 1,-0.2 4,-3.0 -3,-0.1 5,-0.3 0.025 62.9 124.4 -94.7 28.1 8.0 34.0 74.1 62 62 A A H <> S+ 0 0 4 -3,-1.0 4,-2.8 1,-0.2 -1,-0.2 0.943 74.9 43.2 -51.7 -59.9 9.8 31.0 72.8 63 63 A I H > S+ 0 0 55 -3,-0.3 4,-0.5 1,-0.2 -1,-0.2 0.836 116.0 50.8 -57.8 -34.2 6.8 28.7 72.5 64 64 A D H >> S+ 0 0 102 2,-0.2 3,-0.8 1,-0.2 4,-0.7 0.922 113.3 42.7 -70.2 -45.8 4.8 31.6 71.0 65 65 A V H >X S+ 0 0 1 -4,-3.0 4,-1.9 1,-0.2 3,-0.8 0.875 105.3 64.3 -68.9 -35.6 7.3 32.5 68.3 66 66 A A H 3< S+ 0 0 1 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.723 112.0 36.6 -60.7 -21.1 7.9 28.8 67.5 67 67 A K H << S+ 0 0 121 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.462 112.6 59.8-108.3 -7.3 4.3 28.6 66.4 68 68 A G H << S+ 0 0 30 -3,-0.8 -2,-0.2 -4,-0.7 -3,-0.1 0.821 79.1 98.3 -90.9 -34.5 4.1 32.1 64.8 69 69 A I S < S- 0 0 13 -4,-1.9 -37,-0.1 1,-0.1 -38,-0.1 -0.013 77.7-122.1 -52.6 157.9 6.8 31.9 62.2 70 70 A D - 0 0 77 -39,-0.3 -1,-0.1 -38,-0.0 -35,-0.1 0.863 35.6-149.2 -71.2 -37.9 5.9 31.2 58.5 71 71 A R - 0 0 78 1,-0.1 2,-0.2 2,-0.0 -36,-0.1 0.961 12.5-151.5 63.4 90.4 8.1 28.1 58.3 72 72 A E > - 0 0 46 1,-0.1 3,-1.0 -37,-0.1 2,-0.2 -0.503 20.2 -96.1 -90.6 160.9 9.4 27.8 54.8 73 73 A K T 3 S+ 0 0 157 1,-0.2 3,-0.1 -2,-0.2 -1,-0.1 -0.489 106.9 24.1 -78.8 143.7 10.4 24.6 52.9 74 74 A G T 3 S+ 0 0 73 1,-0.3 2,-0.5 -2,-0.2 -1,-0.2 0.473 98.4 118.0 82.0 1.8 14.0 23.5 52.8 75 75 A V < - 0 0 17 -3,-1.0 2,-0.7 -31,-0.0 -1,-0.3 -0.872 57.9-146.7-105.4 132.8 14.5 25.6 55.9 76 76 A T E -d 44 0B 48 -33,-1.9 -31,-2.6 -2,-0.5 2,-0.7 -0.869 11.9-160.0-101.1 110.1 15.7 23.9 59.1 77 77 A Y E +d 45 0B 1 -2,-0.7 19,-2.4 -33,-0.2 20,-1.5 -0.805 18.1 177.9 -93.1 116.2 14.2 25.6 62.2 78 78 A A E -de 46 97B 0 -33,-1.8 -31,-1.1 -2,-0.7 -30,-0.8 -0.753 13.0-165.9-116.4 163.4 16.1 24.8 65.3 79 79 A A E -de 48 98B 0 18,-1.8 20,-2.3 -2,-0.3 2,-0.3 -0.985 31.4-102.1-145.8 153.2 16.0 25.9 68.9 80 80 A L E -de 49 99B 10 -32,-1.8 -30,-2.8 -2,-0.3 20,-0.2 -0.616 35.6-163.2 -76.9 132.6 18.2 25.6 71.9 81 81 A V - 0 0 0 18,-1.8 20,-0.3 -2,-0.3 -30,-0.1 -0.937 14.2-175.0-123.6 113.5 17.2 22.8 74.3 82 82 A P - 0 0 19 0, 0.0 2,-0.3 0, 0.0 19,-0.1 0.819 65.7 -33.1 -72.3 -34.5 18.5 22.8 77.8 83 83 A N S >> S- 0 0 42 -33,-0.2 4,-2.9 44,-0.1 3,-1.0 -0.971 78.7 -63.2-171.7 179.9 17.0 19.4 78.9 84 84 A Q H 3> S+ 0 0 77 1,-0.3 4,-2.1 -2,-0.3 5,-0.1 0.864 127.9 53.8 -45.4 -48.2 14.1 16.9 78.5 85 85 A R H 3> S+ 0 0 142 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.858 113.9 44.0 -56.6 -38.2 11.6 19.4 80.0 86 86 A G H <> S+ 0 0 3 -3,-1.0 4,-2.7 2,-0.2 -2,-0.2 0.903 107.3 56.9 -73.9 -42.9 12.7 21.8 77.4 87 87 A L H X S+ 0 0 7 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.840 102.9 58.9 -56.8 -32.6 12.8 19.2 74.6 88 88 A E H X S+ 0 0 126 -4,-2.1 4,-1.5 -5,-0.3 -1,-0.2 0.972 108.6 41.5 -60.7 -55.7 9.1 18.7 75.5 89 89 A N H X S+ 0 0 73 -4,-1.3 4,-1.9 1,-0.2 -2,-0.2 0.895 112.3 55.2 -59.5 -41.6 8.2 22.3 74.8 90 90 A A H X>S+ 0 0 0 -4,-2.7 5,-1.6 1,-0.2 4,-1.1 0.878 104.2 55.8 -59.2 -38.5 10.4 22.4 71.7 91 91 A L H <5S+ 0 0 64 -4,-2.1 3,-0.3 1,-0.2 -1,-0.2 0.873 108.2 47.0 -61.8 -38.8 8.4 19.4 70.4 92 92 A E H <5S+ 0 0 122 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.810 107.0 58.4 -73.2 -29.9 5.2 21.3 70.8 93 93 A G H <5S- 0 0 5 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.730 112.2-119.8 -70.9 -22.5 6.8 24.3 69.0 94 94 A G T <5 + 0 0 31 -4,-1.1 -3,-0.2 -3,-0.3 -17,-0.2 0.515 46.9 172.9 95.8 6.3 7.5 22.2 66.0 95 95 A I < - 0 0 3 -5,-1.6 -1,-0.2 1,-0.1 -17,-0.2 -0.208 23.4-157.3 -50.9 132.1 11.3 22.6 66.0 96 96 A N S S+ 0 0 59 -19,-2.4 41,-1.2 1,-0.2 2,-0.4 0.889 76.7 30.1 -79.3 -43.5 13.0 20.5 63.5 97 97 A E E -ef 78 137B 13 -20,-1.5 -18,-1.8 39,-0.2 2,-0.4 -0.962 67.3-152.4-125.9 136.5 16.4 20.4 65.2 98 98 A A E -ef 79 138B 2 39,-1.9 41,-1.9 -2,-0.4 2,-0.6 -0.848 9.0-154.6-103.0 136.9 17.3 20.6 68.8 99 99 A C E -ef 80 139B 0 -20,-2.3 -18,-1.8 -2,-0.4 41,-0.2 -0.903 8.0-165.2-115.7 108.3 20.7 22.0 69.8 100 100 A V E - f 0 140B 3 39,-1.8 41,-1.5 -2,-0.6 2,-0.3 -0.321 13.3-165.2 -79.7 173.1 22.1 20.9 73.1 101 101 A F E + f 0 141B 53 -20,-0.3 2,-0.3 39,-0.2 41,-0.2 -0.998 20.7 152.8-159.0 159.1 24.9 22.8 74.7 102 102 A X E - f 0 142B 5 39,-1.9 41,-2.4 -2,-0.3 2,-0.3 -0.955 38.7 -97.7-173.1 168.8 27.7 22.8 77.4 103 103 A S E - f 0 143B 1 -2,-0.3 41,-0.2 39,-0.2 17,-0.1 -0.788 7.8-148.4-105.8 146.9 31.1 24.3 78.1 104 104 A A S S+ 0 0 1 39,-2.3 2,-0.3 -2,-0.3 40,-0.1 0.854 87.4 75.4 -73.9 -37.1 34.5 22.7 77.5 105 105 A S S > S- 0 0 1 38,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.609 75.7-147.8 -78.0 131.2 35.7 24.7 80.5 106 106 A E H > S+ 0 0 75 -2,-0.3 4,-3.2 2,-0.2 5,-0.3 0.959 98.6 48.7 -63.2 -50.7 34.6 23.3 83.9 107 107 A T H > S+ 0 0 62 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.907 113.7 45.9 -56.2 -47.4 34.5 26.7 85.5 108 108 A H H 4 S+ 0 0 15 2,-0.2 -1,-0.2 1,-0.2 6,-0.2 0.913 115.2 47.3 -63.2 -44.3 32.5 28.2 82.6 109 109 A N H >X>S+ 0 0 3 -4,-2.3 4,-2.4 1,-0.2 3,-0.9 0.978 113.8 45.3 -61.6 -57.3 30.1 25.3 82.5 110 110 A R H 3<5S+ 0 0 91 -4,-3.2 2,-0.4 1,-0.3 -1,-0.2 0.798 114.6 52.1 -57.9 -28.3 29.5 25.2 86.3 111 111 A K T 3<5S+ 0 0 132 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.1 -0.412 117.0 34.4-107.0 56.7 29.1 29.0 86.2 112 112 A N T <45S+ 0 0 110 -3,-0.9 -2,-0.2 -2,-0.4 -3,-0.2 0.169 138.6 10.2-167.4 -48.5 26.5 29.2 83.5 113 113 A I T <5S- 0 0 66 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.1 0.226 98.6-124.7-127.0 6.1 24.3 26.2 83.7 114 114 A N < + 0 0 112 -5,-0.8 2,-0.3 -6,-0.2 -4,-0.2 0.940 69.2 106.9 43.4 75.3 25.6 25.1 87.1 115 115 A K S S- 0 0 78 -9,-0.2 -2,-0.2 -6,-0.1 -1,-0.1 -0.874 70.3-104.7-172.4 138.6 26.7 21.5 86.4 116 116 A S > - 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0 0 0 -55,-1.8 4,-1.0 1,-0.1 -2,-0.1 -0.147 47.6-157.8 -48.6 127.4 27.7 44.8 60.6 291 291 A R H > S+ 0 0 26 2,-0.2 4,-1.8 1,-0.2 3,-0.2 0.927 91.1 46.9 -75.4 -47.9 30.0 46.4 58.1 292 292 A N H > S+ 0 0 7 1,-0.2 4,-2.9 219,-0.2 -1,-0.2 0.802 105.0 61.7 -66.4 -26.4 28.0 45.5 55.0 293 293 A L H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.932 104.6 48.4 -64.0 -41.7 24.9 46.8 56.7 294 294 A Q H < S+ 0 0 36 -4,-1.0 -2,-0.2 -3,-0.2 -1,-0.2 0.942 112.6 47.7 -61.8 -45.8 26.5 50.2 56.9 295 295 A V H >< S+ 0 0 21 -4,-1.8 3,-1.7 215,-0.2 -1,-0.2 0.892 109.4 54.9 -60.6 -39.6 27.5 50.0 53.2 296 296 A F H 3< S+ 0 0 69 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.930 98.7 58.8 -60.3 -45.9 23.9 48.9 52.4 297 297 A K T 3< 0 0 61 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.388 360.0 360.0 -65.4 9.5 22.5 52.0 54.1 298 298 A S < 0 0 99 -3,-1.7 -1,-0.3 -5,-0.1 247,-0.1 -0.245 360.0 360.0 43.8 360.0 24.6 53.7 51.5 299 !* 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 0.0 300 1 B X 0 0 167 0, 0.0 2,-0.1 0, 0.0 225,-0.1 0.000 360.0 360.0 360.0 -61.9 54.2 28.1 54.9 301 2 B P - 0 0 112 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.416 360.0-100.0 -66.6 135.5 54.7 29.1 58.6 302 3 B Y - 0 0 37 -2,-0.1 221,-0.1 1,-0.1 220,-0.0 -0.180 48.3 -94.9 -54.2 142.8 53.7 32.7 59.5 303 4 B P - 0 0 31 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.106 22.6-131.0 -57.4 157.8 56.6 35.2 59.6 304 5 B K S S+ 0 0 179 1,-0.2 260,-2.7 259,-0.1 2,-0.4 0.815 87.9 23.1 -81.9 -33.6 58.2 36.0 62.9 305 6 B K B -n 564 0G 73 258,-0.2 2,-0.4 260,-0.1 -1,-0.2 -0.997 61.8-174.3-139.2 141.3 58.1 39.8 62.6 306 7 B V - 0 0 0 258,-2.4 2,-0.5 -2,-0.4 222,-0.2 -0.983 18.6-138.9-138.6 125.2 55.9 42.2 60.6 307 8 B T E -o 528 0H 48 220,-1.6 222,-1.8 -2,-0.4 2,-0.4 -0.709 17.8-163.6 -87.1 124.3 56.3 45.9 60.3 308 9 B I E -o 529 0H 7 -2,-0.5 2,-0.5 257,-0.3 34,-0.5 -0.897 7.2-146.5-108.6 135.8 53.0 47.9 60.4 309 10 B K E -o 530 0H 23 220,-2.7 222,-3.1 -2,-0.4 2,-0.4 -0.871 8.2-139.2-107.7 126.2 52.8 51.5 59.2 310 11 B E E +op 531 344H 0 33,-1.8 35,-2.1 -2,-0.5 222,-0.2 -0.650 29.3 162.9 -81.3 130.6 50.5 54.1 60.8 311 12 B V >>> + 0 0 0 220,-2.6 5,-1.3 -2,-0.4 4,-1.2 0.100 41.4 109.9-132.5 20.8 48.8 56.4 58.3 312 13 B G H 3>>S+ 0 0 0 219,-0.3 5,-2.0 1,-0.2 4,-0.5 0.935 72.0 56.5 -65.2 -50.0 46.0 57.7 60.6 313 14 B P H 345S+ 0 0 1 0, 0.0 -1,-0.2 0, 0.0 33,-0.1 0.681 125.7 23.8 -58.9 -12.4 47.3 61.3 61.0 314 15 B R H <>5S+ 0 0 18 -3,-0.6 4,-2.6 33,-0.2 5,-0.2 0.684 132.5 27.1-113.8 -78.8 47.2 61.5 57.3 315 16 B D H <5S+ 0 0 16 -4,-1.2 -3,-0.2 1,-0.2 4,-0.2 0.793 128.5 48.8 -57.9 -27.6 44.8 59.1 55.4 316 17 B G T ><4 - 0 0 33 -2,-0.5 4,-2.1 1,-0.1 5,-0.2 -0.161 28.5-119.9 -47.5 136.6 43.0 71.7 65.9 326 27 B T H > S+ 0 0 34 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.875 114.0 50.0 -48.1 -42.7 46.5 71.9 64.6 327 28 B E H >> S+ 0 0 120 1,-0.2 4,-2.4 2,-0.2 3,-0.5 0.974 105.7 53.9 -62.8 -54.9 47.9 71.6 68.1 328 29 B D H 3> S+ 0 0 47 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.841 102.5 59.7 -47.2 -40.3 45.8 68.5 69.0 329 30 B K H 3X S+ 0 0 3 -4,-2.1 4,-2.6 1,-0.2 -1,-0.3 0.959 108.1 44.9 -54.5 -51.1 47.2 66.8 65.9 330 31 B I H < S+ 0 0 43 -4,-1.3 3,-0.6 1,-0.2 -2,-0.2 0.973 112.0 50.0 -53.7 -55.4 51.5 59.7 71.7 336 37 B L H >< S+ 0 0 0 -4,-2.2 3,-1.6 1,-0.2 5,-0.5 0.907 103.4 59.4 -50.1 -49.2 51.9 57.7 68.5 337 38 B S H >< S+ 0 0 5 -4,-2.7 3,-0.6 1,-0.3 2,-0.3 0.879 110.4 42.2 -48.6 -45.7 55.6 58.4 68.2 338 39 B R T << S+ 0 0 113 -4,-1.7 -1,-0.3 -3,-0.6 -2,-0.1 -0.270 93.1 89.2 -99.4 49.7 56.2 56.8 71.6 339 40 B T T < S- 0 0 1 -3,-1.6 229,-2.0 -2,-0.3 233,-0.3 0.635 107.3 -98.4-113.7 -25.4 53.9 53.9 71.0 340 41 B G S < S+ 0 0 24 -3,-0.6 -3,-0.1 1,-0.5 -2,-0.1 0.022 81.2 130.8 127.2 -25.5 56.3 51.5 69.5 341 42 B L - 0 0 4 -5,-0.5 -1,-0.5 1,-0.1 -2,-0.2 -0.233 43.3-159.7 -55.9 149.5 55.4 52.2 65.9 342 43 B S S S+ 0 0 49 -34,-0.5 33,-2.1 1,-0.2 2,-0.3 0.236 71.6 44.4-117.1 10.4 58.4 52.8 63.7 343 44 B Y E + q 0 375H 7 -35,-0.3 -33,-1.8 31,-0.2 2,-0.3 -0.948 57.6 170.3-157.1 132.2 56.7 54.6 60.8 344 45 B I E -pq 310 376H 0 31,-2.6 33,-2.1 -2,-0.3 2,-1.5 -0.931 29.6-142.6-149.3 121.6 54.1 57.4 60.8 345 46 B E E - q 0 377H 0 -35,-2.1 33,-0.2 -2,-0.3 -30,-0.1 -0.673 22.7-173.0 -81.9 94.1 52.8 59.5 57.9 346 47 B I E - 0 0 2 -2,-1.5 2,-0.3 31,-1.2 -1,-0.2 0.841 56.3 -34.9 -57.9 -34.8 52.4 62.7 59.9 347 48 B T E - q 0 378H 0 30,-0.8 32,-1.8 -3,-0.1 2,-0.4 -0.961 57.3 -95.2-169.8-176.1 50.7 64.6 57.1 348 49 B S E - q 0 379H 0 -2,-0.3 13,-0.2 30,-0.3 32,-0.2 -0.960 11.9-155.0-123.3 137.5 50.1 65.3 53.4 349 50 B F + 0 0 13 30,-2.8 2,-0.2 -2,-0.4 33,-0.2 -0.025 50.5 131.0-101.3 31.1 51.7 68.1 51.4 350 51 B V S S- 0 0 21 1,-0.1 5,-0.1 30,-0.1 11,-0.1 -0.540 79.7 -74.5 -77.0 149.6 49.0 68.2 48.8 351 52 B H >> - 0 0 107 -2,-0.2 3,-2.5 1,-0.2 4,-1.1 -0.225 42.9-125.2 -49.9 124.7 47.8 71.8 48.2 352 53 B P T 34 S+ 0 0 46 0, 0.0 -1,-0.2 0, 0.0 6,-0.2 0.661 103.8 75.3 -44.7 -23.2 45.6 72.8 51.2 353 54 B K T 34 S+ 0 0 176 1,-0.2 -2,-0.1 2,-0.2 6,-0.0 0.854 104.1 34.6 -61.4 -35.9 42.8 73.6 48.7 354 55 B W T <4 S+ 0 0 209 -3,-2.5 -1,-0.2 1,-0.2 3,-0.1 0.756 127.6 37.5 -91.9 -25.7 42.0 70.0 48.2 355 56 B I >< + 0 0 13 -4,-1.1 3,-2.7 -5,-0.1 -1,-0.2 -0.468 62.8 161.1-125.8 62.3 42.8 68.8 51.7 356 57 B P G > S+ 0 0 55 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.737 72.4 67.2 -52.6 -25.6 41.6 71.5 54.0 357 58 B A G 3 S+ 0 0 19 1,-0.3 -33,-0.3 -39,-0.2 3,-0.1 0.688 110.1 36.1 -70.8 -17.3 41.6 69.1 56.9 358 59 B L G X S+ 0 0 2 -3,-2.7 3,-1.0 -6,-0.2 -1,-0.3 -0.171 73.1 126.2-128.2 40.9 45.4 69.0 56.7 359 60 B R T < + 0 0 44 -3,-1.2 3,-0.3 1,-0.3 4,-0.2 0.662 68.8 67.2 -72.3 -13.6 46.2 72.6 55.7 360 61 B D T 3> + 0 0 5 1,-0.2 4,-3.0 -3,-0.1 5,-0.3 0.021 62.9 124.5 -96.0 28.2 48.6 72.7 58.7 361 62 B A H <> S+ 0 0 4 -3,-1.0 4,-2.8 1,-0.2 -1,-0.2 0.945 74.7 43.6 -51.0 -60.0 50.9 70.2 57.2 362 63 B I H > S+ 0 0 54 -3,-0.3 4,-0.6 1,-0.2 -1,-0.2 0.850 115.9 50.3 -57.2 -35.7 54.1 72.3 57.4 363 64 B D H >> S+ 0 0 103 2,-0.2 3,-0.7 1,-0.2 4,-0.6 0.916 113.4 43.1 -69.9 -45.7 53.1 73.4 60.9 364 65 B V H >X S+ 0 0 1 -4,-3.0 4,-1.9 1,-0.2 3,-0.8 0.869 105.5 63.8 -69.1 -35.6 52.6 69.9 62.2 365 66 B A H 3< S+ 0 0 2 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.725 112.1 36.8 -60.4 -21.6 55.7 68.6 60.4 366 67 B K H << S+ 0 0 116 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.460 112.8 59.4-107.3 -6.7 57.7 70.9 62.7 367 68 B G H << S+ 0 0 29 -3,-0.8 -2,-0.2 -4,-0.6 -3,-0.1 0.818 79.0 98.6 -92.2 -34.0 55.6 70.5 65.8 368 69 B I S < S- 0 0 13 -4,-1.9 -37,-0.1 1,-0.1 -38,-0.1 -0.017 77.6-122.6 -52.7 158.4 55.9 66.8 66.4 369 70 B D - 0 0 76 -39,-0.3 -1,-0.1 -38,-0.0 -35,-0.1 0.854 35.4-149.1 -72.2 -37.2 58.3 65.4 69.0 370 71 B R - 0 0 77 1,-0.1 2,-0.2 2,-0.0 -36,-0.1 0.957 12.3-151.5 62.8 91.3 60.1 63.2 66.5 371 72 B E > - 0 0 41 1,-0.1 3,-1.0 -37,-0.0 2,-0.2 -0.498 20.5 -95.9 -90.7 161.2 61.4 60.1 68.3 372 73 B K T 3 S+ 0 0 156 1,-0.2 3,-0.1 -2,-0.2 -1,-0.1 -0.507 106.7 24.1 -80.0 144.3 64.4 58.0 67.3 373 74 B G T 3 S+ 0 0 70 1,-0.3 2,-0.5 -2,-0.2 -1,-0.2 0.463 98.3 117.7 81.4 1.3 64.0 54.9 65.3 374 75 B V < - 0 0 16 -3,-1.0 2,-0.7 -31,-0.0 -1,-0.3 -0.878 57.9-147.0-105.3 131.1 60.8 56.4 64.0 375 76 B T E -q 343 0H 49 -33,-2.1 -31,-2.6 -2,-0.5 2,-0.7 -0.851 12.2-160.1 -98.5 111.6 60.4 57.1 60.3 376 77 B Y E +q 344 0H 1 -2,-0.7 19,-2.4 -33,-0.2 20,-1.5 -0.827 18.0 177.8 -94.6 119.7 58.2 60.2 59.8 377 78 B A E -qr 345 396H 0 -33,-2.1 -31,-1.2 -2,-0.7 -30,-0.8 -0.764 13.7-165.3-119.4 165.1 56.7 60.3 56.3 378 79 B A E -qr 347 397H 0 18,-1.8 20,-2.2 -2,-0.3 2,-0.3 -0.989 31.1-102.8-147.7 151.7 54.4 62.5 54.4 379 80 B L E -qr 348 398H 9 -32,-1.8 -30,-2.8 -2,-0.3 20,-0.2 -0.596 35.5-162.8 -75.8 133.8 52.5 62.3 51.2 380 81 B V - 0 0 0 18,-1.8 20,-0.3 -2,-0.3 -30,-0.1 -0.950 14.2-173.9-124.7 115.6 54.1 64.3 48.4 381 82 B P - 0 0 20 0, 0.0 2,-0.3 0, 0.0 19,-0.1 0.810 65.7 -33.3 -73.3 -34.1 52.1 65.2 45.3 382 83 B N S >> S- 0 0 44 -33,-0.2 4,-2.7 44,-0.1 3,-1.3 -0.975 78.7 -62.7-173.3 177.7 55.0 66.7 43.3 383 84 B Q H 3> S+ 0 0 76 1,-0.3 4,-2.1 -2,-0.3 5,-0.1 0.844 127.6 53.7 -42.8 -48.7 58.3 68.6 43.3 384 85 B R H 3> S+ 0 0 137 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.857 113.7 44.5 -57.2 -37.3 56.6 71.8 44.7 385 86 B G H <> S+ 0 0 3 -3,-1.3 4,-2.8 2,-0.2 -2,-0.2 0.895 106.9 57.2 -74.5 -40.9 55.3 69.6 47.5 386 87 B L H X S+ 0 0 6 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.846 102.8 58.6 -57.7 -32.8 58.6 67.8 48.0 387 88 B E H X S+ 0 0 127 -4,-2.1 4,-1.5 -5,-0.3 -1,-0.2 0.973 108.6 41.6 -60.6 -56.0 60.1 71.2 48.6 388 89 B N H X S+ 0 0 72 -4,-1.3 4,-1.8 1,-0.2 -2,-0.2 0.894 112.5 55.2 -59.4 -41.3 57.8 71.9 51.5 389 90 B A H X>S+ 0 0 0 -4,-2.8 5,-1.6 1,-0.2 4,-1.1 0.871 103.9 55.7 -59.9 -37.4 58.2 68.4 52.8 390 91 B L H <5S+ 0 0 65 -4,-2.0 3,-0.3 1,-0.2 -1,-0.2 0.885 108.2 47.4 -62.7 -39.3 62.0 68.9 52.8 391 92 B E H <5S+ 0 0 124 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.808 106.8 57.9 -72.5 -28.9 61.5 72.0 55.0 392 93 B G H <5S- 0 0 6 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.726 112.6-119.7 -73.1 -21.2 59.2 70.0 57.3 393 94 B G T <5 + 0 0 29 -4,-1.1 -3,-0.2 -3,-0.3 -17,-0.2 0.533 46.7 173.3 94.8 7.9 61.9 67.5 57.9 394 95 B I < - 0 0 3 -5,-1.6 -1,-0.2 1,-0.1 -17,-0.2 -0.205 23.3-156.5 -52.0 134.1 60.1 64.5 56.6 395 96 B N S S+ 0 0 59 -19,-2.4 41,-1.2 1,-0.2 2,-0.4 0.896 76.6 29.7 -79.6 -44.9 62.3 61.4 56.4 396 97 B E E -rs 377 436H 15 -20,-1.5 -18,-1.8 39,-0.2 2,-0.4 -0.958 67.4-151.4-125.3 137.8 60.4 59.6 53.7 397 98 B A E -rs 378 437H 3 39,-2.0 41,-1.9 -2,-0.4 2,-0.6 -0.854 8.7-155.4-103.8 136.0 58.2 60.9 50.9 398 99 B C E -rs 379 438H 0 -20,-2.2 -18,-1.8 -2,-0.4 41,-0.2 -0.898 8.0-165.5-114.9 108.0 55.4 58.8 49.6 399 100 B V E - s 0 439H 3 39,-1.8 41,-1.4 -2,-0.6 2,-0.3 -0.332 13.4-164.1 -79.8 173.1 54.3 59.4 46.0 400 101 B F E + s 0 440H 52 -20,-0.3 2,-0.3 39,-0.2 41,-0.2 -0.998 21.3 153.0-158.7 157.8 51.0 58.1 44.7 401 102 B X E - s 0 441H 5 39,-1.9 41,-2.5 -2,-0.3 2,-0.3 -0.957 38.3 -99.3-171.8 168.1 48.8 57.3 41.7 402 103 B S E - s 0 442H 1 -2,-0.3 41,-0.2 39,-0.2 17,-0.1 -0.788 8.5-147.2-105.7 147.7 46.0 55.1 40.7 403 104 B A S S+ 0 0 2 39,-2.3 2,-0.4 -2,-0.3 40,-0.1 0.816 87.3 75.6 -76.1 -32.8 46.2 51.8 38.7 404 105 B S S > S- 0 0 1 38,-0.3 4,-2.4 1,-0.2 5,-0.2 -0.669 75.5-147.7 -82.3 131.5 42.9 52.6 37.2 405 106 B E H > S+ 0 0 73 -2,-0.4 4,-3.2 2,-0.2 5,-0.3 0.951 98.8 48.7 -62.9 -50.1 43.0 55.3 34.5 406 107 B T H > S+ 0 0 60 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.920 113.6 45.7 -57.4 -47.6 39.5 56.6 35.3 407 108 B H H 4 S+ 0 0 15 2,-0.2 -1,-0.2 1,-0.2 6,-0.2 0.923 115.4 47.5 -62.5 -44.7 40.2 56.8 39.0 408 109 B N H >X>S+ 0 0 4 -4,-2.4 4,-2.3 1,-0.2 3,-0.9 0.975 113.6 45.4 -60.8 -57.5 43.6 58.5 38.5 409 110 B R H 3<5S+ 0 0 90 -4,-3.2 2,-0.4 1,-0.3 -1,-0.2 0.795 114.6 52.0 -58.0 -27.8 42.3 61.0 36.0 410 111 B K T 3<5S+ 0 0 131 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.1 -0.414 116.9 34.6-107.3 56.9 39.4 61.7 38.4 411 112 B N T <45S+ 0 0 110 -3,-0.9 -2,-0.2 -2,-0.4 -3,-0.2 0.171 138.5 10.2-167.2 -47.5 41.4 62.3 41.5 412 113 B I T <5S- 0 0 64 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.1 0.202 98.6-124.6-128.4 7.9 44.6 64.0 40.6 413 114 B N < + 0 0 110 -5,-0.7 2,-0.3 -4,-0.2 -4,-0.2 0.931 69.2 107.6 41.6 76.0 43.5 64.7 37.0 414 115 B K S S- 0 0 77 -9,-0.2 -2,-0.2 -6,-0.1 -1,-0.1 -0.876 70.3-104.7-172.2 138.5 46.3 63.1 35.0 415 116 B S > - 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