==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 29-JUN-03 1PVY . COMPND 2 MOLECULE: 3,4-DIHYDROXY-2-BUTANONE 4-PHOSPHATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR S.STEINBACHER,S.SCHIFFMANN,G.RICHTER,R.HUBER,A.BACHER, . 438 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17788.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 312 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 13.2 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 21 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 139 31.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 3.4 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 4 0 0 3 3 1 5 2 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 2 A N > 0 0 133 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -95.9 -20.5 3.5 2.2 2 3 A N H > + 0 0 85 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.766 360.0 64.2 -69.5 -25.0 -18.6 3.8 5.5 3 4 A V H > S+ 0 0 2 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.949 102.2 47.5 -63.6 -47.2 -15.4 3.5 3.6 4 5 A E H > S+ 0 0 98 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.901 112.5 49.9 -59.6 -40.8 -16.2 6.8 1.9 5 6 A K H X S+ 0 0 136 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.919 110.3 49.7 -62.4 -44.1 -17.0 8.3 5.3 6 7 A A H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.887 109.6 52.8 -61.8 -39.2 -13.7 6.9 6.7 7 8 A I H X S+ 0 0 12 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.927 108.1 49.2 -62.6 -46.3 -12.0 8.5 3.7 8 9 A E H X S+ 0 0 94 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.882 111.1 52.2 -60.5 -37.4 -13.6 11.9 4.4 9 10 A A H ><>S+ 0 0 4 -4,-2.1 5,-2.3 1,-0.2 3,-0.6 0.926 108.3 48.5 -63.3 -48.5 -12.5 11.5 8.0 10 11 A L H ><5S+ 0 0 0 -4,-2.5 3,-1.5 1,-0.2 23,-0.3 0.861 107.7 55.9 -60.5 -37.6 -8.8 10.8 7.2 11 12 A K H 3<5S+ 0 0 82 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.778 104.8 53.7 -67.0 -26.5 -8.8 13.8 4.9 12 13 A K T <<5S- 0 0 151 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.374 121.0-108.4 -88.6 3.7 -9.9 15.9 7.8 13 14 A G T < 5S+ 0 0 14 -3,-1.5 -3,-0.2 1,-0.2 2,-0.2 0.751 73.3 140.6 76.2 25.8 -7.0 14.7 9.9 14 15 A E < - 0 0 79 -5,-2.3 19,-0.4 -6,-0.1 2,-0.3 -0.527 53.8-107.9 -98.7 167.4 -9.3 12.6 12.1 15 16 A I - 0 0 15 -2,-0.2 193,-0.4 17,-0.1 2,-0.3 -0.742 31.8-172.6 -95.3 138.5 -8.8 9.2 13.7 16 17 A I E -A 31 0A 0 15,-2.3 15,-2.6 -2,-0.3 2,-0.5 -0.865 21.0-124.8-123.8 161.3 -10.8 6.2 12.4 17 18 A L E -Ab 30 209A 0 191,-2.8 193,-2.9 -2,-0.3 2,-0.5 -0.927 22.2-170.0-109.4 131.6 -11.0 2.6 13.8 18 19 A V E -Ab 29 210A 0 11,-2.5 11,-2.2 -2,-0.5 2,-0.5 -0.958 4.8-165.4-125.9 116.1 -10.1 -0.3 11.6 19 20 A Y E -Ab 28 211A 18 191,-2.9 193,-1.5 -2,-0.5 9,-0.2 -0.842 8.6-155.8 -94.5 128.4 -10.9 -3.9 12.7 20 21 A D - 0 0 5 7,-2.2 192,-1.0 -2,-0.5 193,-0.4 0.993 47.8 -60.0 -71.5 -72.1 -9.0 -6.5 10.6 21 22 A S > > - 0 0 38 6,-0.1 3,-1.8 191,-0.1 5,-1.1 -0.935 24.7-120.7-173.2 148.4 -10.9 -9.8 10.8 22 23 A D T 3 5S+ 0 0 91 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.848 117.7 55.5 -62.5 -32.7 -12.1 -12.5 13.2 23 24 A E T 3 5S+ 0 0 168 -3,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.255 116.8 34.5 -84.9 12.6 -10.0 -14.9 11.1 24 25 A R T < 5S- 0 0 27 -3,-1.8 71,-0.1 3,-0.0 138,-0.1 -0.133 130.3 -29.0-131.5-129.1 -6.9 -12.8 11.6 25 26 A E T 5 - 0 0 28 2,-0.1 305,-0.1 69,-0.1 -3,-0.1 0.850 65.2-144.2 -65.5 -31.8 -5.7 -10.7 14.5 26 27 A G < + 0 0 24 -5,-1.1 2,-0.3 1,-0.3 -4,-0.1 0.832 56.7 132.4 70.1 27.6 -9.2 -9.9 15.7 27 28 A E - 0 0 3 -6,-0.2 -7,-2.2 167,-0.0 2,-0.5 -0.852 53.5-141.7-118.8 155.6 -7.8 -6.5 16.6 28 29 A T E -A 19 0A 2 157,-0.4 157,-2.9 -2,-0.3 2,-0.4 -0.949 16.6-161.0-113.8 128.9 -8.9 -3.0 16.1 29 30 A D E -AC 18 184A 5 -11,-2.2 -11,-2.5 -2,-0.5 2,-0.4 -0.885 19.4-129.7-107.2 142.2 -6.3 -0.2 15.4 30 31 A M E -AC 17 183A 0 153,-2.7 153,-2.1 -2,-0.4 2,-0.4 -0.732 38.2-164.0 -83.8 140.7 -6.8 3.5 15.8 31 32 A V E +AC 16 182A 0 -15,-2.6 -15,-2.3 -2,-0.4 2,-0.3 -0.988 19.4 171.0-136.3 138.2 -5.7 5.0 12.4 32 33 A V E - C 0 181A 0 149,-1.9 149,-2.4 -2,-0.4 2,-0.6 -0.980 41.9-103.7-142.0 154.2 -4.7 8.4 11.2 33 34 A A E > - C 0 180A 0 -19,-0.4 3,-2.1 -2,-0.3 147,-0.2 -0.707 32.0-141.2 -78.5 122.6 -3.2 9.8 8.0 34 35 A S G > S+ 0 0 0 145,-1.7 3,-1.5 -2,-0.6 92,-0.2 0.780 97.2 65.6 -56.9 -31.7 0.4 10.6 9.0 35 36 A Q G 3 S+ 0 0 22 144,-0.5 -1,-0.3 142,-0.3 145,-0.1 0.762 110.6 40.3 -63.0 -20.3 0.6 13.8 7.0 36 37 A F G < S+ 0 0 69 -3,-2.1 -1,-0.3 -26,-0.1 -2,-0.2 0.283 86.2 134.3-109.4 9.5 -2.0 15.1 9.4 37 38 A I < - 0 0 3 -3,-1.5 -3,-0.1 -4,-0.2 -23,-0.0 -0.214 30.6-174.2 -63.2 147.3 -0.6 13.6 12.7 38 39 A T > - 0 0 52 -25,-0.1 4,-1.6 1,-0.1 3,-0.4 -0.876 42.0-104.8-134.8 166.9 -0.4 15.8 15.7 39 40 A P H > S+ 0 0 41 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.853 121.4 59.5 -61.3 -32.0 0.9 15.4 19.2 40 41 A E H > S+ 0 0 123 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.841 101.5 52.8 -66.2 -34.9 -2.7 15.0 20.4 41 42 A H H > S+ 0 0 22 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.911 108.7 49.6 -64.3 -44.7 -3.2 12.0 18.1 42 43 A I H X S+ 0 0 0 -4,-1.6 4,-2.7 2,-0.2 5,-0.2 0.940 112.4 48.7 -60.1 -43.4 -0.1 10.3 19.7 43 44 A R H X S+ 0 0 45 -4,-2.3 4,-2.2 1,-0.2 5,-0.3 0.895 110.6 49.1 -65.4 -38.4 -1.5 11.1 23.2 44 45 A I H X S+ 0 0 47 -4,-2.4 4,-2.6 1,-0.2 5,-0.5 0.907 112.3 51.0 -67.6 -37.3 -4.9 9.7 22.3 45 46 A M H X>S+ 0 0 0 -4,-2.4 5,-2.6 1,-0.2 4,-1.9 0.951 112.7 42.4 -67.0 -48.7 -3.3 6.5 20.9 46 47 A R H <5S+ 0 0 8 -4,-2.7 -1,-0.2 3,-0.2 -2,-0.2 0.886 123.0 38.6 -68.5 -34.5 -1.0 5.8 23.9 47 48 A K H <5S+ 0 0 72 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.910 130.4 24.6 -80.1 -40.5 -3.8 6.5 26.5 48 49 A D H <5S+ 0 0 65 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.588 135.2 27.3-102.3 -16.9 -6.9 5.1 24.8 49 50 A A T <5S- 0 0 0 -4,-1.9 137,-2.8 -5,-0.5 -3,-0.2 0.711 76.9-171.9-106.6 -75.0 -5.4 2.4 22.4 50 51 A G E < +D 185 0A 4 -5,-2.6 135,-0.2 1,-0.2 -4,-0.1 0.303 41.0 106.2 103.0 -13.0 -2.2 1.4 24.1 51 52 A G E S- 0 0 11 133,-2.0 -1,-0.2 1,-0.2 2,-0.1 0.124 83.9 -50.7 -80.7-156.9 -0.4 -0.8 21.7 52 53 A L E - 0 0 31 -3,-0.1 2,-0.8 1,-0.1 132,-0.6 -0.469 48.0-132.2 -76.6 151.2 2.6 0.1 19.6 53 54 A I E +D 183 0A 9 93,-0.2 95,-0.9 130,-0.2 2,-0.3 -0.897 40.2 168.5-107.1 102.6 2.5 3.3 17.6 54 55 A C E -De 182 148A 6 128,-2.1 128,-2.6 -2,-0.8 2,-0.5 -0.777 30.1-137.9-114.9 157.1 3.8 2.3 14.2 55 56 A T E -De 181 149A 0 93,-2.5 95,-2.6 -2,-0.3 2,-0.3 -0.970 16.2-148.4-122.7 119.5 3.8 4.1 10.8 56 57 A A E -De 180 150A 0 124,-2.4 124,-1.8 -2,-0.5 2,-0.4 -0.673 11.5-161.8 -89.3 133.7 2.9 2.2 7.7 57 58 A L E -De 179 151A 0 93,-2.3 95,-2.5 -2,-0.3 122,-0.2 -0.958 24.1-112.9-121.6 133.1 4.4 3.1 4.3 58 59 A H >> - 0 0 13 120,-1.9 4,-2.1 -2,-0.4 3,-0.5 -0.295 32.4-118.1 -55.7 140.7 3.3 2.2 0.8 59 60 A P H 3> S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.845 114.6 60.1 -52.0 -36.2 5.8 -0.1 -0.9 60 61 A D H 3> S+ 0 0 91 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.946 106.6 46.3 -58.3 -47.2 6.4 2.5 -3.5 61 62 A I H <> S+ 0 0 13 -3,-0.5 4,-1.5 1,-0.2 -1,-0.2 0.938 111.9 51.3 -59.1 -47.4 7.6 4.9 -0.9 62 63 A C H X>S+ 0 0 1 -4,-2.1 5,-2.3 1,-0.2 4,-1.7 0.844 108.9 50.8 -58.8 -36.9 9.7 2.1 0.7 63 64 A N H <5S+ 0 0 84 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.906 109.6 49.9 -68.9 -41.9 11.4 1.3 -2.6 64 65 A K H <5S+ 0 0 145 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.767 119.1 39.1 -68.1 -23.8 12.2 5.0 -3.2 65 66 A L H <5S- 0 0 11 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.646 107.8-124.7 -97.7 -18.7 13.7 5.2 0.2 66 67 A G T <5 + 0 0 36 -4,-1.7 236,-0.3 1,-0.2 -3,-0.2 0.759 50.5 162.0 81.0 24.5 15.3 1.7 0.2 67 68 A I < - 0 0 2 -5,-2.3 -1,-0.2 -6,-0.2 2,-0.1 -0.702 18.5-164.7 -84.6 120.0 13.6 0.6 3.4 68 69 A P - 0 0 10 0, 0.0 34,-0.4 0, 0.0 2,-0.2 -0.451 29.3 -87.7 -96.5 172.0 13.6 -3.1 3.8 69 70 A F > - 0 0 50 32,-0.1 4,-1.4 -2,-0.1 3,-0.4 -0.510 35.8-124.0 -73.9 146.9 11.6 -5.4 6.1 70 71 A M H > S+ 0 0 16 30,-2.5 4,-2.7 1,-0.2 5,-0.2 0.889 109.3 60.6 -60.2 -40.5 13.2 -6.0 9.5 71 72 A V H > S+ 0 0 20 29,-0.5 4,-2.8 1,-0.2 -1,-0.2 0.884 103.7 50.8 -55.8 -38.8 13.2 -9.8 9.0 72 73 A D H > S+ 0 0 55 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.876 108.9 50.8 -67.0 -37.6 15.5 -9.3 5.9 73 74 A I H X S+ 0 0 0 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.948 114.6 44.0 -63.7 -46.2 17.9 -7.1 7.9 74 75 A L H X S+ 0 0 12 -4,-2.7 4,-1.4 2,-0.2 -2,-0.2 0.896 110.3 54.8 -65.6 -42.3 18.0 -9.8 10.7 75 76 A E H < S+ 0 0 98 -4,-2.8 3,-0.4 -5,-0.2 -1,-0.2 0.941 113.3 42.1 -56.5 -48.6 18.4 -12.6 8.2 76 77 A F H >< S+ 0 0 39 -4,-2.2 3,-1.5 1,-0.2 -2,-0.2 0.911 114.3 51.2 -65.2 -42.9 21.4 -10.9 6.6 77 78 A A H >X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.3 3,-1.9 0.666 89.4 80.1 -70.6 -14.9 22.8 -9.9 10.0 78 79 A S T 3< S+ 0 0 16 -4,-1.4 -1,-0.3 -3,-0.4 7,-0.2 0.641 77.0 74.3 -65.9 -11.8 22.5 -13.5 11.2 79 80 A Q T <4 S+ 0 0 140 -3,-1.5 -1,-0.3 -4,-0.2 -2,-0.2 0.784 112.8 24.1 -69.0 -26.5 25.7 -14.2 9.2 80 81 A K T <4 S+ 0 0 118 -3,-1.9 2,-0.7 1,-0.2 -2,-0.2 0.747 127.4 46.4-105.1 -38.2 27.5 -12.3 12.1 81 82 A F >X - 0 0 29 -4,-2.5 3,-1.6 -7,-0.2 4,-0.6 -0.864 66.0-169.8-111.6 96.9 25.1 -12.8 15.0 82 83 A K H >> S+ 0 0 163 -2,-0.7 4,-1.1 1,-0.3 3,-0.9 0.817 79.5 69.9 -56.1 -36.0 24.1 -16.4 15.1 83 84 A V H 34 S+ 0 0 7 202,-0.3 4,-0.3 1,-0.3 -1,-0.3 0.823 91.0 62.9 -54.2 -31.2 21.3 -15.9 17.7 84 85 A L H X4 S+ 0 0 10 -3,-1.6 3,-1.8 1,-0.2 -1,-0.3 0.911 96.4 57.3 -59.9 -42.7 19.3 -14.0 15.0 85 86 A R H X< S+ 0 0 187 -3,-0.9 3,-1.0 -4,-0.6 -1,-0.2 0.892 106.9 48.5 -53.0 -44.1 19.1 -17.2 12.9 86 87 A E T 3< S+ 0 0 91 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.423 103.7 63.0 -79.2 -1.2 17.5 -19.0 15.8 87 88 A L T < S+ 0 0 3 -3,-1.8 275,-2.8 -4,-0.3 -1,-0.2 0.173 71.6 145.1-107.8 14.3 15.0 -16.2 16.3 88 89 A Y < - 0 0 104 -3,-1.0 2,-2.1 273,-0.2 3,-0.3 -0.289 54.3-131.3 -60.7 130.9 13.4 -16.5 12.8 89 90 A P > + 0 0 23 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 -0.252 58.9 138.4 -77.2 51.3 9.6 -15.8 12.8 90 91 A N T 3 + 0 0 134 -2,-2.1 -2,-0.1 1,-0.2 271,-0.0 0.534 68.2 53.2 -75.1 -3.8 8.9 -19.0 10.9 91 92 A D T 3 + 0 0 60 -3,-0.3 -1,-0.2 0, 0.0 5,-0.1 -0.080 67.0 158.4-123.8 36.5 5.8 -19.6 13.1 92 93 A I < - 0 0 32 -3,-1.0 3,-0.4 4,-0.2 237,-0.1 -0.493 30.7-151.9 -64.3 112.1 3.9 -16.3 12.8 93 94 A P S S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 237,-0.1 0.684 82.7 35.8 -57.8 -31.8 0.3 -17.3 13.8 94 95 A Y S S+ 0 0 47 235,-0.2 2,-0.3 1,-0.1 -69,-0.1 0.567 120.7 7.2-108.4 -8.2 -1.8 -14.8 11.8 95 96 A D S S- 0 0 23 -3,-0.4 -1,-0.1 1,-0.1 3,-0.1 -0.976 71.2-101.9-162.0 171.2 -0.0 -14.3 8.5 96 97 A E S S+ 0 0 155 -2,-0.3 2,-0.3 1,-0.2 -4,-0.2 0.891 100.1 6.1 -69.0 -39.6 2.9 -15.4 6.3 97 98 A K S S- 0 0 139 -3,-0.1 -1,-0.2 -7,-0.0 2,-0.1 -0.969 73.3-107.7-146.4 160.5 5.1 -12.5 7.3 98 99 A S - 0 0 18 -2,-0.3 -27,-0.1 1,-0.1 53,-0.0 -0.473 14.6-144.6 -81.9 155.7 5.4 -9.4 9.5 99 100 A S + 0 0 13 -2,-0.1 52,-2.7 -30,-0.1 -1,-0.1 0.470 56.6 132.8 -97.9 -3.8 5.1 -5.9 8.3 100 101 A F E +F 150 0A 33 50,-0.2 -30,-2.5 -31,-0.1 -29,-0.5 -0.146 26.4 165.8 -52.8 136.3 7.8 -4.7 10.7 101 102 A S E - 0 0 4 48,-2.5 -32,-0.1 1,-0.3 49,-0.1 -0.374 42.0 -45.2-127.1-152.5 10.5 -2.5 9.3 102 103 A I E - 0 0 0 -34,-0.4 47,-2.7 -2,-0.2 2,-0.3 -0.268 49.7-125.2 -79.9 166.4 13.2 -0.2 10.8 103 104 A T E -F 148 0A 27 45,-0.2 2,-0.3 -49,-0.0 45,-0.3 -0.840 32.0-178.4-111.4 151.6 12.7 2.3 13.6 104 105 A I E -F 147 0A 0 43,-2.7 43,-2.1 -2,-0.3 2,-0.3 -0.957 23.3-162.2-146.6 164.5 13.6 5.9 13.3 105 106 A N E -F 142 0A 15 37,-1.7 37,-2.6 -2,-0.3 2,-0.2 -0.960 36.2-112.0-140.0 145.7 13.8 9.3 15.0 106 107 A H E > -F 141 0A 3 -2,-0.3 3,-1.8 35,-0.2 35,-0.3 -0.604 30.9-122.2 -75.1 144.4 14.1 12.6 13.2 107 108 A R T 3 S+ 0 0 43 33,-3.1 34,-0.1 1,-0.3 -1,-0.1 0.680 108.3 61.8 -62.7 -19.6 17.5 14.1 13.9 108 109 A K T 3 S+ 0 0 159 32,-0.4 -1,-0.3 9,-0.1 2,-0.1 0.462 85.9 93.0 -87.6 -1.9 16.0 17.2 15.4 109 110 A T < - 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0 0 5 -3,-2.0 -4,-0.0 1,-0.2 8,-0.0 -0.512 66.6-147.5 -86.6 163.2 2.0 -15.5 22.1 329 111 B F S S- 0 0 83 -2,-0.2 -235,-0.2 -237,-0.1 -1,-0.2 0.847 85.7 -4.5 -95.0 -84.4 -0.4 -14.6 19.3 330 112 B T S S- 0 0 11 -305,-0.1 35,-0.1 -237,-0.1 -2,-0.1 0.771 87.5-140.0 -82.9 -21.3 -0.1 -10.9 18.2 331 113 B G S S+ 0 0 0 33,-0.1 9,-0.1 34,-0.1 -6,-0.1 0.155 78.4 90.3 87.2 -13.7 2.4 -10.3 21.0 332 114 B I + 0 0 0 4,-0.1 -146,-0.0 5,-0.1 -1,-0.0 0.652 55.0 102.4 -92.3 -16.9 1.0 -6.9 21.9 333 115 B T S > S- 0 0 9 1,-0.1 4,-3.0 4,-0.1 5,-0.3 -0.129 83.0-112.2 -63.3 162.1 -1.6 -7.6 24.6 334 116 B D H > S+ 0 0 0 -147,-0.3 4,-2.4 2,-0.2 5,-0.2 0.907 122.8 50.1 -60.4 -41.4 -0.8 -7.0 28.3 335 117 B N H > S+ 0 0 56 -145,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.950 112.3 46.5 -61.4 -48.5 -1.0 -10.8 28.7 336 118 B D H > S+ 0 0 26 -146,-0.4 4,-2.7 1,-0.2 -11,-0.3 0.912 114.7 45.2 -61.8 -42.4 1.3 -11.4 25.8 337 119 B R H X S+ 0 0 6 -4,-3.0 4,-2.4 1,-0.2 5,-0.2 0.913 114.0 48.4 -72.5 -37.8 3.9 -8.8 26.8 338 120 B A H X S+ 0 0 5 -4,-2.4 4,-2.6 -5,-0.3 -1,-0.2 0.851 113.9 48.5 -66.5 -33.8 4.0 -9.9 30.4 339 121 B F H X S+ 0 0 79 -4,-2.0 4,-2.8 -5,-0.2 5,-0.3 0.933 110.6 49.7 -69.9 -48.5 4.3 -13.5 29.3 340 122 B T H X S+ 0 0 0 -4,-2.7 4,-1.4 -5,-0.2 -2,-0.2 0.947 117.1 41.8 -55.0 -47.4 7.1 -12.7 26.9 341 123 B I H X S+ 0 0 2 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.940 115.4 48.2 -68.1 -47.3 9.0 -10.8 29.6 342 124 B K H X S+ 0 0 115 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.901 111.0 50.7 -61.6 -42.7 8.3 -13.3 32.4 343 125 B K H X S+ 0 0 41 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.829 109.7 52.5 -64.2 -33.4 9.4 -16.3 30.3 344 126 B L H X S+ 0 0 2 -4,-1.4 4,-2.3 -5,-0.3 -2,-0.2 0.943 111.0 44.8 -69.6 -45.2 12.6 -14.5 29.4 345 127 B A H X S+ 0 0 1 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.864 113.1 52.8 -66.1 -32.9 13.5 -13.8 33.0 346 128 B E H X S+ 0 0 66 -4,-2.2 4,-2.4 -5,-0.2 5,-0.2 0.973 109.9 47.5 -62.6 -54.1 12.5 -17.4 33.8 347 129 B L H X>S+ 0 0 0 -4,-2.6 5,-2.2 1,-0.2 4,-0.8 0.886 115.2 45.9 -53.0 -44.7 14.8 -18.8 31.1 348 130 B V H ><5S+ 0 0 12 -4,-2.3 3,-0.7 2,-0.2 -1,-0.2 0.929 111.5 50.2 -69.2 -43.8 17.7 -16.5 32.2 349 131 B K H 3<5S+ 0 0 145 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.882 114.2 45.9 -62.0 -36.9 17.3 -17.3 35.9 350 132 B E H 3<5S- 0 0 106 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.598 110.7-123.6 -80.9 -12.6 17.3 -21.0 35.1 351 133 B G T <<5 + 0 0 36 -4,-0.8 2,-1.2 -3,-0.7 3,-0.3 0.732 63.4 141.8 77.0 21.9 20.3 -20.7 32.8 352 134 B R > < + 0 0 64 -5,-2.2 3,-1.6 1,-0.2 4,-0.2 -0.368 13.3 151.1 -91.4 56.8 18.5 -22.2 29.8 353 135 B F G > + 0 0 57 -2,-1.2 3,-2.1 1,-0.3 4,-0.3 0.885 64.7 60.5 -55.6 -41.1 20.3 -19.8 27.5 354 136 B N G 3 S+ 0 0 136 -3,-0.3 4,-0.4 1,-0.3 3,-0.4 0.684 94.2 65.5 -60.7 -22.1 20.2 -22.2 24.5 355 137 B D G <> S+ 0 0 43 -3,-1.6 4,-2.0 1,-0.2 -1,-0.3 0.475 75.3 94.9 -80.8 -1.4 16.4 -22.3 24.7 356 138 B F H <> S+ 0 0 3 -3,-2.1 4,-1.9 1,-0.2 3,-0.3 0.953 88.1 39.0 -56.5 -54.3 16.3 -18.6 23.7 357 139 B G H 4 S+ 0 0 6 -3,-0.4 -1,-0.2 -4,-0.3 -2,-0.1 0.796 114.3 56.1 -66.5 -26.8 15.8 -19.2 20.0 358 140 B K H 4 S+ 0 0 159 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.824 116.9 34.1 -73.6 -31.7 13.5 -22.1 20.6 359 141 B E H < S+ 0 0 28 -4,-2.0 -33,-3.3 -3,-0.3 -32,-0.4 0.662 116.7 46.9 -98.6 -19.7 11.1 -20.0 22.7 360 142 B F E < - M 0 325C 0 -4,-1.9 2,-0.3 -35,-0.3 -35,-0.2 -0.835 56.1-158.9-125.8 160.5 11.2 -16.6 21.1 361 143 B R E - M 0 324C 9 -37,-2.7 -37,-2.0 -2,-0.3 -273,-0.2 -0.946 23.6-112.5-133.0 157.4 11.0 -15.0 17.7 362 144 B S E S+ 0 0 3 -275,-2.8 -39,-0.2 -2,-0.3 2,-0.2 -0.986 83.8 44.4-139.7 142.0 12.2 -11.5 16.4 363 145 B P E S+ 0 0 9 0, 0.0 2,-0.3 0, 0.0 -40,-0.2 0.546 83.0 131.1 -73.4 173.6 11.0 -9.0 15.4 364 146 B G E - 0 0 3 -41,-0.2 -40,-0.2 -2,-0.2 -33,-0.1 -0.901 65.7 -79.9-167.1-167.8 8.2 -8.5 18.0 365 147 B S E S+ 0 0 5 -2,-0.3 2,-0.7 -42,-0.2 -93,-0.2 0.673 98.1 78.7 -89.5 -18.0 6.5 -6.2 20.4 366 148 B V E S- M 0 323C 1 -43,-2.0 -43,-2.2 -95,-0.1 2,-0.5 -0.821 70.9-148.8 -96.4 114.2 8.9 -6.3 23.4 367 149 B T E -lM 273 322C 21 -95,-1.0 -93,-2.8 -2,-0.7 2,-0.3 -0.682 8.9-150.2 -83.1 127.2 12.0 -4.2 22.9 368 150 B L E -l 274 0C 1 -47,-2.6 -48,-2.9 -2,-0.5 2,-0.4 -0.713 6.2-157.9 -95.4 148.1 15.1 -5.4 24.6 369 151 B L E -lM 275 319C 9 -95,-2.1 -93,-2.4 -2,-0.3 2,-0.6 -0.973 10.5-139.2-124.3 139.2 17.9 -3.0 25.8 370 152 B R E -l 276 0C 36 -52,-2.6 2,-0.2 -2,-0.4 -93,-0.1 -0.898 17.9-139.0-103.6 119.9 21.5 -4.0 26.4 371 153 B A - 0 0 0 -95,-2.4 -90,-0.1 -2,-0.6 3,-0.1 -0.496 29.2 -99.6 -76.4 144.8 23.1 -2.5 29.5 372 154 B A > - 0 0 12 -2,-0.2 3,-2.4 1,-0.1 5,-0.1 -0.256 40.2 -95.0 -66.4 147.4 26.7 -1.3 29.2 373 155 B E T 3 S+ 0 0 93 1,-0.3 5,-0.3 -95,-0.1 -1,-0.1 -0.412 117.9 19.3 -59.2 131.1 29.6 -3.4 30.4 374 156 B G T > S- 0 0 33 3,-0.1 3,-2.1 -2,-0.1 -1,-0.3 0.537 104.1-136.3 81.7 5.3 30.4 -2.2 34.0 375 157 B L G X> S+ 0 0 1 -3,-2.4 3,-2.1 1,-0.3 4,-2.0 -0.116 80.8 12.0 44.4-131.3 26.9 -0.7 34.1 376 158 B V G 34 S+ 0 0 1 8,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.515 118.9 73.4 -54.9 -4.4 26.7 2.8 35.7 377 159 B K G <4 S+ 0 0 151 -3,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.887 114.8 18.5 -75.7 -38.6 30.5 3.0 35.4 378 160 B N T <4 S+ 0 0 103 -3,-2.1 2,-0.4 1,-0.3 -2,-0.2 0.676 134.5 24.2-104.0 -29.9 30.3 3.5 31.6 379 161 B R < - 0 0 19 -4,-2.0 -1,-0.3 -7,-0.1 -64,-0.1 -0.999 53.6-162.3-140.9 141.4 26.7 4.6 30.9 380 162 B Q + 0 0 86 -2,-0.4 2,-0.1 -66,-0.3 -4,-0.1 -0.231 46.2 123.0-116.7 43.8 24.2 6.3 33.2 381 163 B G S > S- 0 0 0 1,-0.1 4,-2.7 -138,-0.1 5,-0.2 -0.396 80.6 -96.4 -92.6 177.8 20.9 5.8 31.5 382 164 B H H > S+ 0 0 6 1,-0.2 4,-2.5 2,-0.2 5,-0.4 0.811 123.2 66.2 -62.5 -28.3 17.8 4.1 33.0 383 165 B T H > S+ 0 0 7 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.971 111.8 30.8 -55.9 -54.8 19.0 0.9 31.3 384 166 B E H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 -8,-0.3 0.893 118.7 54.4 -70.6 -45.7 22.1 0.8 33.5 385 167 B M H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.927 112.4 41.8 -57.9 -47.1 20.6 2.3 36.6 386 168 B T H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.883 114.6 49.3 -72.8 -36.2 17.7 -0.0 36.9 387 169 B V H X S+ 0 0 0 -4,-1.4 4,-2.8 -5,-0.4 -1,-0.2 0.904 110.8 52.8 -67.3 -37.9 19.7 -3.2 36.0 388 170 B A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.912 108.3 50.7 -61.5 -44.5 22.2 -2.0 38.6 389 171 B L H X S+ 0 0 0 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.899 110.1 48.7 -62.4 -40.4 19.4 -1.7 41.1 390 172 B A H ><>S+ 0 0 0 -4,-2.2 5,-2.3 2,-0.2 3,-0.5 0.933 110.8 51.3 -66.6 -40.0 18.1 -5.2 40.4 391 173 B E H ><5S+ 0 0 70 -4,-2.8 3,-2.0 1,-0.2 -2,-0.2 0.957 109.0 51.2 -59.2 -46.6 21.6 -6.6 40.8 392 174 B L H 3<5S+ 0 0 47 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.724 105.5 55.8 -60.5 -25.5 21.9 -4.8 44.1 393 175 B A T <<5S- 0 0 2 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.350 115.2-117.4 -88.7 4.9 18.6 -6.4 45.2 394 176 B N T < 5S+ 0 0 153 -3,-2.0 2,-0.2 1,-0.2 -3,-0.2 0.847 73.8 129.9 61.9 34.8 20.1 -9.8 44.5 395 177 B L S - 0 0 4 4,-2.6 3,-1.6 -2,-0.4 -291,-0.2 -0.532 21.2-118.1 -97.0 159.7 3.1 14.3 30.0 407 189 B D T 3 S+ 0 0 110 1,-0.3 -1,-0.1 -2,-0.2 -364,-0.1 0.643 109.3 67.1 -65.2 -15.4 -0.0 15.8 28.7 408 190 B D T 3 S- 0 0 94 2,-0.2 -1,-0.3 3,-0.1 3,-0.1 0.387 120.0-105.0 -87.2 4.7 1.9 18.9 27.3 409 191 B G S < S+ 0 0 0 -3,-1.6 -293,-2.7 1,-0.3 -292,-0.4 0.435 92.7 90.4 89.3 -1.5 3.5 16.6 24.8 410 192 B N S S- 0 0 77 -296,-0.2 -4,-2.6 -295,-0.2 -1,-0.3 -0.465 91.9 -66.5-112.7-173.9 6.9 16.4 26.5 411 193 B A B -N 405 0D 22 -6,-0.2 -6,-0.3 -2,-0.2 -1,-0.2 -0.479 62.8 -96.2 -72.7 148.6 8.3 14.0 29.2 412 194 B M - 0 0 29 -8,-2.5 -165,-0.3 -165,-0.2 -8,-0.1 -0.453 49.0-114.9 -63.0 138.8 6.6 14.3 32.5 413 195 B S > - 0 0 48 -2,-0.1 4,-2.3 1,-0.1 3,-0.4 -0.332 20.8-105.9 -77.3 160.5 8.7 16.6 34.7 414 196 B K H > S+ 0 0 68 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.849 122.6 48.8 -51.3 -42.1 10.5 15.5 37.9 415 197 B N H > S+ 0 0 117 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.871 110.9 51.1 -69.2 -34.1 7.9 17.3 40.0 416 198 B E H > S+ 0 0 85 -3,-0.4 4,-1.2 2,-0.2 -2,-0.2 0.856 113.0 43.6 -70.2 -36.7 5.1 15.6 38.1 417 199 B T H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.850 111.1 53.9 -77.9 -33.0 6.5 12.1 38.5 418 200 B K H X S+ 0 0 64 -4,-2.1 4,-2.1 -5,-0.3 -2,-0.2 0.881 108.6 52.1 -63.9 -37.4 7.3 12.6 42.2 419 201 B R H X S+ 0 0 159 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.866 108.0 49.8 -66.5 -37.0 3.7 13.6 42.5 420 202 B Y H X S+ 0 0 27 -4,-1.2 4,-2.2 2,-0.2 -2,-0.2 0.899 108.6 52.9 -69.8 -40.8 2.5 10.4 40.8 421 203 B A H <>S+ 0 0 0 -4,-2.4 5,-2.8 2,-0.2 4,-0.2 0.912 110.3 48.0 -60.2 -43.3 4.7 8.3 43.1 422 204 B E H ><5S+ 0 0 133 -4,-2.1 3,-1.1 3,-0.2 -2,-0.2 0.941 111.3 50.2 -64.0 -45.7 3.2 10.0 46.2 423 205 B K H 3<5S+ 0 0 130 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.874 119.6 35.0 -59.4 -39.9 -0.4 9.5 44.9 424 206 B H T 3<5S- 0 0 78 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.182 110.5-116.7-103.6 17.6 0.1 5.8 44.2 425 207 B N T < 5 + 0 0 143 -3,-1.1 2,-0.3 -4,-0.2 -3,-0.2 0.882 63.2 148.0 46.3 52.9 2.4 5.2 47.1 426 208 B L < - 0 0 31 -5,-2.8 2,-0.3 -6,-0.2 -1,-0.2 -0.809 53.2-101.2-113.8 154.5 5.4 4.2 45.0 427 209 B I - 0 0 44 -193,-0.5 -191,-3.5 -2,-0.3 2,-0.6 -0.589 28.9-157.4 -78.9 130.1 9.1 4.7 45.6 428 210 B Y E -i 236 0C 38 -2,-0.3 2,-0.4 -193,-0.2 -191,-0.2 -0.951 16.3-171.4-108.0 116.8 10.6 7.6 43.7 429 211 B L E -i 237 0C 0 -193,-3.6 -191,-2.4 -2,-0.6 2,-0.3 -0.896 19.6-130.5-117.6 141.8 14.4 7.2 43.4 430 212 B S E > -i 238 0C 34 -2,-0.4 4,-1.5 -193,-0.2 3,-0.2 -0.679 14.2-137.4 -85.9 135.6 17.1 9.5 42.1 431 213 B G H > S+ 0 0 0 -193,-2.3 4,-2.7 -2,-0.3 3,-0.2 0.905 104.6 55.3 -58.9 -43.7 19.5 8.2 39.5 432 214 B E H > S+ 0 0 86 -193,-0.3 4,-3.1 1,-0.2 5,-0.3 0.879 103.9 57.3 -58.1 -36.5 22.5 9.8 41.1 433 215 B E H > S+ 0 0 67 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.904 109.2 43.5 -61.2 -43.1 21.5 7.9 44.3 434 216 B I H X S+ 0 0 0 -4,-1.5 4,-3.0 -3,-0.2 5,-0.3 0.935 114.4 51.2 -67.3 -44.4 21.7 4.5 42.6 435 217 B I H X S+ 0 0 3 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.949 112.9 44.1 -57.7 -53.1 24.9 5.4 40.8 436 218 B N H < S+ 0 0 103 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.934 114.4 50.2 -59.0 -47.7 26.6 6.5 44.1 437 219 B Y H < S+ 0 0 109 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.931 114.5 43.5 -57.5 -48.1 25.3 3.5 45.9 438 220 B Y H < 0 0 65 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.971 360.0 360.0 -62.9 -55.1 26.5 1.0 43.3 439 221 B L < 0 0 108 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.749 360.0 360.0 -65.1 360.0 29.9 2.7 42.7