==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 15-DEC-12 4IG2 . COMPND 2 MOLECULE: 2-AMINO-3-CARBOXYMUCONATE 6-SEMIALDEHYDE DECARBOX . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS FLUORESCENS; . AUTHOR L.HUO,I.DAVIS,L.CHEN,A.LIU . 662 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24693.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 446 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 59 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 32 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 208 31.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.7 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 6 1 2 0 5 0 0 3 1 3 2 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 9 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 0 0 PARALLEL BRIDGES PER LADDER . 1 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 4 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 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 K 0 0 229 0, 0.0 2,-0.2 0, 0.0 321,-0.0 0.000 360.0 360.0 360.0 52.9 -78.4 15.5 183.9 2 4 A P - 0 0 43 0, 0.0 2,-0.7 0, 0.0 323,-0.1 -0.457 360.0-126.9 -74.0 136.8 -77.7 11.9 184.9 3 5 A R - 0 0 61 66,-0.2 69,-2.1 -2,-0.2 68,-1.3 -0.737 34.0-163.3 -80.1 119.3 -80.5 9.4 184.2 4 6 A I E -a 72 0A 1 316,-2.9 2,-0.6 -2,-0.7 69,-0.2 -0.893 19.9-167.3-112.9 126.2 -81.0 7.6 187.6 5 7 A D E +a 73 0A 0 67,-2.5 69,-2.6 -2,-0.5 285,-0.2 -0.962 9.9 179.1-104.3 115.9 -82.7 4.4 188.3 6 8 A M + 0 0 1 283,-2.7 2,-0.5 -2,-0.6 284,-0.2 0.322 60.8 68.2-101.4 8.7 -83.3 4.1 192.1 7 9 A H + 0 0 0 282,-0.2 285,-2.3 2,-0.0 284,-1.1 -0.899 65.9 114.8-130.6 104.4 -85.1 0.8 192.3 8 10 A S B -c 293 0B 0 -2,-0.5 68,-1.5 284,-0.2 2,-0.3 -0.972 44.3-134.8-160.2 160.9 -83.0 -2.2 191.5 9 11 A H E -d 76 0C 1 284,-2.7 2,-0.3 -2,-0.3 68,-0.2 -0.887 10.2-169.1-128.1 161.3 -81.6 -5.3 193.1 10 12 A F E -d 77 0C 5 66,-2.0 68,-1.0 -2,-0.3 46,-0.2 -0.891 8.0-156.0-132.8 166.7 -78.4 -7.4 193.5 11 13 A F - 0 0 1 44,-1.6 2,-0.0 -2,-0.3 66,-0.0 -0.961 22.8-128.6-143.0 133.5 -77.6 -10.8 194.9 12 14 A P - 0 0 8 0, 0.0 2,-1.8 0, 0.0 45,-0.1 -0.298 27.5-100.1 -82.0 162.5 -74.0 -11.7 196.1 13 15 A R + 0 0 147 43,-0.2 2,-0.4 88,-0.1 16,-0.0 -0.582 58.0 164.1 -80.1 79.5 -72.0 -14.7 195.2 14 16 A I - 0 0 2 -2,-1.8 16,-2.5 4,-0.0 2,-0.2 -0.842 30.8-132.6 -99.8 137.2 -72.6 -16.7 198.3 15 17 A S > - 0 0 58 -2,-0.4 4,-2.4 14,-0.2 5,-0.2 -0.475 19.6-117.3 -80.8 155.7 -71.8 -20.4 198.4 16 18 A E H > S+ 0 0 67 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.917 116.2 55.7 -52.5 -42.8 -74.2 -23.1 199.7 17 19 A Q H > S+ 0 0 150 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.864 108.4 44.9 -65.3 -39.5 -71.6 -23.9 202.3 18 20 A E H >> S+ 0 0 46 2,-0.2 4,-0.7 1,-0.2 3,-0.7 0.910 112.2 51.0 -71.3 -42.8 -71.4 -20.3 203.7 19 21 A A H >X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 3,-1.4 0.908 105.1 59.6 -57.4 -40.3 -75.2 -19.9 203.7 20 22 A A H 3X S+ 0 0 46 -4,-2.6 4,-0.7 1,-0.3 -1,-0.2 0.797 93.7 63.6 -58.6 -30.8 -75.3 -23.1 205.6 21 23 A K H << S+ 0 0 172 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.779 115.9 32.2 -65.0 -25.5 -73.2 -21.6 208.4 22 24 A F H << S- 0 0 28 -3,-1.4 2,-0.3 -4,-0.7 -2,-0.2 0.891 145.1 -16.8 -90.2 -69.8 -76.1 -19.2 208.9 23 25 A D H X - 0 0 32 -4,-2.5 4,-2.2 1,-0.1 21,-0.3 -0.843 47.4-164.1-145.3 107.5 -79.1 -21.4 208.0 24 26 A A T < S+ 0 0 59 -4,-0.7 -4,-0.1 -2,-0.3 -1,-0.1 0.748 99.7 35.0 -55.5 -24.9 -78.8 -24.6 206.1 25 27 A N T 4 S+ 0 0 114 -5,-0.1 -1,-0.2 19,-0.1 -5,-0.1 0.857 130.3 22.6 -96.8 -41.0 -82.6 -24.3 205.6 26 28 A H T 4 S+ 0 0 105 -7,-0.1 -2,-0.2 17,-0.1 57,-0.1 0.513 88.3 100.5-117.6 -5.7 -83.4 -20.6 205.2 27 29 A A < - 0 0 1 -4,-2.2 17,-0.8 -8,-0.2 2,-0.1 -0.715 66.8-132.3 -84.3 125.5 -80.3 -18.7 204.1 28 30 A P E +E 43 0D 0 0, 0.0 2,-0.3 0, 0.0 15,-0.2 -0.461 29.7 173.2 -76.1 148.0 -80.3 -17.9 200.4 29 31 A W E -E 42 0D 21 13,-1.7 13,-3.5 -2,-0.1 2,-0.5 -0.885 28.5-106.1-143.9 176.3 -77.2 -18.5 198.2 30 32 A L E -E 41 0D 10 -16,-2.5 2,-0.5 -2,-0.3 11,-0.2 -0.920 19.1-166.8-118.8 128.1 -76.4 -18.4 194.5 31 33 A Q E -E 40 0D 86 9,-2.7 9,-1.9 -2,-0.5 2,-0.4 -0.932 14.6-155.2-107.5 131.8 -75.9 -21.2 192.1 32 34 A V E -E 39 0D 44 -2,-0.5 7,-0.2 7,-0.2 5,-0.1 -0.873 10.8-128.4-112.5 142.2 -74.3 -20.3 188.8 33 35 A S - 0 0 50 5,-2.6 -1,-0.1 -2,-0.4 6,-0.1 0.342 28.5 -97.6 -69.0-159.0 -74.7 -22.3 185.5 34 36 A A S S+ 0 0 103 1,-0.1 -1,-0.0 5,-0.0 -2,-0.0 0.918 121.7 42.6 -88.0 -61.5 -72.1 -23.6 183.1 35 37 A K S S- 0 0 198 1,-0.1 -1,-0.1 0, 0.0 -3,-0.0 0.750 106.2-132.1 -57.0 -25.5 -72.1 -20.9 180.4 36 38 A G S S+ 0 0 18 2,-0.2 -1,-0.1 1,-0.0 -2,-0.0 0.390 79.8 107.4 90.7 -2.3 -72.2 -18.5 183.4 37 39 A D S S+ 0 0 79 15,-0.1 16,-2.1 -5,-0.1 2,-0.3 0.766 81.6 23.0 -80.5 -28.6 -75.0 -16.4 181.9 38 40 A T E + F 0 52D 67 14,-0.2 -5,-2.6 15,-0.1 2,-0.3 -0.799 60.7 155.6-130.9 174.3 -77.8 -17.7 184.2 39 41 A G E -EF 32 51D 5 12,-1.9 12,-2.9 -2,-0.3 2,-0.4 -0.945 31.7-105.7-174.3-172.1 -78.2 -19.2 187.6 40 42 A S E -EF 31 50D 15 -9,-1.9 -9,-2.7 10,-0.3 2,-0.4 -0.992 19.6-124.1-135.0 142.0 -80.7 -19.6 190.5 41 43 A I E -EF 30 49D 0 8,-3.9 7,-2.8 -2,-0.4 8,-1.8 -0.730 42.8-155.3 -75.7 132.4 -81.1 -18.2 193.9 42 44 A M E -EF 29 47D 9 -13,-3.5 -13,-1.7 -2,-0.4 2,-0.4 -0.758 23.2-159.9-116.0 159.1 -81.2 -21.2 196.2 43 45 A M E > S-EF 28 46D 38 3,-2.5 3,-2.2 -2,-0.3 -17,-0.1 -0.946 74.0 -47.7-137.6 113.7 -82.6 -22.0 199.6 44 46 A G T 3 S- 0 0 11 -17,-0.8 -19,-0.1 -2,-0.4 -15,-0.1 -0.441 123.0 -28.2 50.7-126.4 -81.0 -25.0 201.1 45 47 A K T 3 S+ 0 0 158 -2,-0.1 -1,-0.3 -3,-0.1 2,-0.2 0.548 119.2 101.1 -89.7 -9.4 -81.1 -27.5 198.3 46 48 A N E < S-F 43 0D 110 -3,-2.2 -3,-2.5 1,-0.1 2,-0.2 -0.531 76.8-119.0 -83.0 140.9 -84.2 -26.0 196.6 47 49 A N E +F 42 0D 90 -2,-0.2 -5,-0.2 -5,-0.2 -2,-0.1 -0.578 32.7 177.2 -62.0 133.6 -84.3 -23.7 193.6 48 50 A F E - 0 0 97 -7,-2.8 -6,-0.2 1,-0.3 -1,-0.2 0.689 62.5 -17.0-107.8 -38.8 -85.9 -20.5 194.9 49 51 A R E -F 41 0D 86 -8,-1.8 -8,-3.9 2,-0.0 -1,-0.3 -0.873 57.6-120.6-172.2 132.7 -85.7 -18.5 191.8 50 52 A P E +F 40 0D 85 0, 0.0 -10,-0.3 0, 0.0 2,-0.3 -0.605 39.6 172.9 -72.3 133.7 -83.9 -18.3 188.4 51 53 A V E -F 39 0D 15 -12,-2.9 -12,-1.9 -2,-0.3 2,-0.3 -0.819 22.2-124.6-133.2 169.9 -81.9 -15.1 187.9 52 54 A Y E > -F 38 0D 79 -2,-0.3 3,-2.5 -14,-0.2 4,-0.4 -0.824 34.3 -91.3-123.6 172.6 -79.5 -13.8 185.3 53 55 A Q G >> S+ 0 0 43 -16,-2.1 4,-2.8 1,-0.3 3,-0.9 0.693 114.4 67.0 -53.6 -32.9 -75.9 -12.5 185.3 54 56 A A G 34 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 7,-0.1 0.768 93.3 65.0 -60.7 -24.5 -76.7 -8.8 185.8 55 57 A L G <4 S+ 0 0 2 -3,-2.5 -44,-1.6 1,-0.2 -1,-0.2 0.896 120.5 15.6 -65.7 -39.6 -78.0 -9.7 189.2 56 58 A W T <4 S+ 0 0 16 -3,-0.9 -2,-0.2 -4,-0.4 -43,-0.2 0.600 115.1 72.9-110.6 -15.4 -74.6 -10.8 190.6 57 59 A D X - 0 0 37 -4,-2.8 4,-2.0 1,-0.1 -1,-0.1 -0.885 50.6-173.1-113.7 109.8 -72.1 -9.4 188.1 58 60 A P H > S+ 0 0 22 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.773 86.4 57.6 -71.6 -29.9 -71.4 -5.6 188.1 59 61 A A H > S+ 0 0 44 2,-0.2 4,-1.4 1,-0.2 -5,-0.1 0.970 111.6 42.0 -61.3 -53.2 -69.2 -5.7 185.0 60 62 A F H > S+ 0 0 63 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.860 112.3 54.9 -59.7 -40.4 -72.1 -7.2 183.0 61 63 A R H X S+ 0 0 0 -4,-2.0 4,-3.3 1,-0.2 3,-0.2 0.907 101.6 57.5 -61.1 -44.8 -74.6 -4.9 184.6 62 64 A I H X S+ 0 0 19 -4,-2.2 4,-3.1 1,-0.2 -1,-0.2 0.886 104.3 53.0 -53.4 -42.0 -72.7 -1.8 183.5 63 65 A E H X S+ 0 0 134 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.884 111.9 44.6 -62.3 -39.8 -72.9 -2.9 179.9 64 66 A E H X S+ 0 0 52 -4,-1.4 4,-1.4 2,-0.2 -2,-0.2 0.871 110.6 53.7 -74.1 -36.6 -76.7 -3.3 180.2 65 67 A M H >X>S+ 0 0 2 -4,-3.3 5,-2.5 2,-0.2 4,-0.8 0.949 108.8 51.4 -56.9 -46.0 -76.9 0.0 182.0 66 68 A D H ><5S+ 0 0 88 -4,-3.1 3,-1.1 1,-0.2 -2,-0.2 0.932 108.5 49.9 -53.1 -49.4 -75.0 1.4 179.0 67 69 A A H 3<5S+ 0 0 92 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.723 113.6 46.5 -65.1 -21.6 -77.6 -0.2 176.6 68 70 A Q H <<5S- 0 0 50 -4,-1.4 -1,-0.2 -3,-0.7 -2,-0.2 0.462 109.8-119.2 -98.0 -6.3 -80.4 1.4 178.6 69 71 A G T <<5 + 0 0 32 -3,-1.1 2,-0.7 -4,-0.8 -66,-0.2 0.783 60.9 153.5 70.4 24.9 -78.9 4.8 178.8 70 72 A V < - 0 0 3 -5,-2.5 -1,-0.3 -6,-0.2 -66,-0.1 -0.786 23.4-177.2 -88.6 117.8 -78.9 4.5 182.6 71 73 A D + 0 0 68 -68,-1.3 2,-0.4 -2,-0.7 -67,-0.2 0.929 68.7 15.7 -80.4 -45.9 -76.1 6.6 184.1 72 74 A V E -a 4 0A 12 -69,-2.1 -67,-2.5 -7,-0.1 2,-0.4 -0.992 65.5-167.6-131.5 135.3 -76.5 5.8 187.8 73 75 A Q E -ab 5 113A 1 39,-3.0 41,-2.9 -2,-0.4 2,-0.5 -0.990 11.2-151.0-125.4 134.8 -78.3 2.9 189.4 74 76 A V E - b 0 114A 1 -69,-2.6 2,-0.3 -2,-0.4 41,-0.2 -0.887 25.5-176.5 -96.8 130.1 -79.1 2.5 193.1 75 77 A T E + b 0 115A 0 39,-2.7 41,-2.0 -2,-0.5 2,-0.3 -0.936 7.9 173.9-134.2 151.9 -79.3 -1.2 194.0 76 78 A C E -d 9 0C 1 -68,-1.5 -66,-2.0 -2,-0.3 41,-0.1 -0.895 40.5 -51.9-150.1 171.9 -80.1 -3.1 197.1 77 79 A A E -d 10 0C 2 39,-0.3 -66,-0.2 -2,-0.3 -1,-0.1 -0.117 50.7-114.6 -50.1 139.8 -80.7 -6.6 198.6 78 80 A T > - 0 0 2 -68,-1.0 3,-2.6 1,-0.1 4,-0.2 -0.663 38.5-116.5 -65.8 135.3 -83.2 -9.0 196.9 79 81 A P G > S+ 0 0 24 0, 0.0 3,-2.2 0, 0.0 4,-0.3 0.743 110.8 72.9 -59.8 -25.5 -85.8 -9.2 199.7 80 82 A V G 3 S+ 0 0 26 1,-0.3 3,-0.4 2,-0.1 -3,-0.0 0.753 91.3 63.2 -54.4 -21.5 -85.2 -12.9 200.2 81 83 A M G < S+ 0 0 0 -3,-2.6 -1,-0.3 1,-0.2 17,-0.1 0.572 75.9 92.9 -77.9 -10.1 -81.9 -11.7 201.9 82 84 A F < - 0 0 3 -3,-2.2 -1,-0.2 -4,-0.2 39,-0.2 0.855 62.2-165.1 -59.4 -45.9 -83.6 -9.8 204.7 83 85 A G > + 0 0 6 -3,-0.4 3,-1.4 -4,-0.3 -1,-0.1 0.808 27.0 155.5 65.9 33.1 -83.7 -12.6 207.3 84 86 A Y T 3 + 0 0 10 1,-0.3 -1,-0.1 37,-0.1 4,-0.1 0.608 69.1 55.4 -68.0 -11.6 -86.2 -10.8 209.5 85 87 A T T 3 S+ 0 0 120 2,-0.1 -1,-0.3 6,-0.0 3,-0.1 0.568 88.9 100.1 -97.1 -9.5 -87.2 -14.1 211.1 86 88 A W S < S- 0 0 24 -3,-1.4 2,-0.1 1,-0.2 36,-0.1 -0.197 90.3 -79.0 -75.7 162.3 -83.8 -15.2 212.3 87 89 A E > - 0 0 102 1,-0.1 4,-2.1 4,-0.0 5,-0.2 -0.399 52.9-115.6 -52.4 136.7 -82.3 -15.0 215.7 88 90 A A H > S+ 0 0 21 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.817 107.6 45.3 -54.5 -46.7 -81.2 -11.4 216.1 89 91 A N H > S+ 0 0 99 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.891 113.6 49.6 -71.1 -38.7 -77.4 -11.7 216.4 90 92 A K H > S+ 0 0 68 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.859 112.6 49.8 -62.9 -36.0 -77.2 -14.1 213.5 91 93 A A H X S+ 0 0 2 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.839 108.8 51.1 -74.0 -31.2 -79.3 -11.7 211.5 92 94 A A H X S+ 0 0 18 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.908 110.8 48.4 -73.7 -39.5 -77.1 -8.8 212.4 93 95 A Q H X S+ 0 0 123 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.909 111.9 50.7 -55.3 -45.6 -74.0 -10.7 211.3 94 96 A W H X S+ 0 0 1 -4,-1.9 4,-3.2 1,-0.2 5,-0.2 0.939 108.5 50.5 -64.0 -45.4 -75.7 -11.6 208.1 95 97 A A H X S+ 0 0 1 -4,-2.3 4,-2.6 1,-0.2 23,-0.3 0.882 109.8 50.4 -61.0 -39.4 -76.7 -8.0 207.3 96 98 A E H X S+ 0 0 86 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.925 112.8 47.4 -66.5 -41.2 -73.1 -6.9 207.9 97 99 A R H X S+ 0 0 83 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.939 114.0 46.2 -60.1 -48.9 -71.9 -9.6 205.5 98 100 A M H X S+ 0 0 1 -4,-3.2 4,-1.9 1,-0.2 -2,-0.2 0.900 112.0 52.2 -63.0 -39.8 -74.6 -8.7 202.9 99 101 A N H X S+ 0 0 3 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.865 108.9 48.6 -69.4 -37.2 -73.8 -5.0 203.2 100 102 A D H X S+ 0 0 59 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.893 109.6 52.9 -64.3 -41.4 -70.1 -5.5 202.7 101 103 A F H X S+ 0 0 23 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.869 108.0 52.6 -58.6 -39.4 -70.9 -7.7 199.6 102 104 A A H X S+ 0 0 1 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.921 108.3 49.5 -61.9 -44.8 -73.0 -4.7 198.3 103 105 A L H X S+ 0 0 36 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.919 109.4 51.2 -64.0 -42.5 -70.1 -2.4 198.8 104 106 A E H < S+ 0 0 119 -4,-2.4 4,-0.3 2,-0.2 -1,-0.2 0.831 110.3 51.5 -59.1 -35.0 -67.8 -4.8 196.9 105 107 A F H >< S+ 0 0 13 -4,-1.6 3,-1.5 -5,-0.2 4,-0.3 0.959 111.7 44.6 -65.1 -50.5 -70.4 -4.8 194.2 106 108 A A H >< S+ 0 0 7 -4,-2.6 3,-1.6 1,-0.3 7,-0.3 0.786 98.6 74.3 -63.3 -28.8 -70.5 -1.0 194.0 107 109 A A T 3< S+ 0 0 66 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.667 77.8 75.0 -67.5 -15.0 -66.7 -0.9 194.1 108 110 A H T < S- 0 0 97 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.907 131.0 -14.7 -57.8 -41.6 -66.7 -2.0 190.5 109 111 A N X> + 0 0 40 -3,-1.6 4,-2.7 -4,-0.3 3,-1.2 -0.486 68.5 179.7-162.4 85.3 -67.8 1.5 189.6 110 112 A P T 34 S+ 0 0 57 0, 0.0 -3,-0.1 0, 0.0 5,-0.1 0.526 81.2 65.2 -74.0 -7.4 -69.0 3.5 192.6 111 113 A Q T 34 S+ 0 0 139 -5,-0.1 3,-0.1 1,-0.1 -4,-0.1 0.813 118.9 23.4 -73.8 -34.2 -69.7 6.6 190.4 112 114 A R T <4 S+ 0 0 47 -3,-1.2 -39,-3.0 -6,-0.2 2,-0.6 0.652 120.1 59.7-108.1 -21.1 -72.4 4.6 188.5 113 115 A I E < +b 73 0A 3 -4,-2.7 2,-0.3 -7,-0.3 -39,-0.2 -0.943 61.4 178.9-115.5 116.2 -73.4 2.0 191.0 114 116 A K E -b 74 0A 47 -41,-2.9 -39,-2.7 -2,-0.6 2,-0.4 -0.853 12.5-148.6-111.9 151.8 -74.8 3.0 194.4 115 117 A V E -b 75 0A 2 23,-0.3 25,-2.4 -2,-0.3 26,-0.5 -0.930 9.2-157.5-121.9 143.6 -76.0 0.7 197.2 116 118 A L E -g 141 0E 1 -41,-2.0 -39,-0.3 -2,-0.4 26,-0.3 -0.855 27.8-128.4-106.7 156.6 -78.6 0.8 200.0 117 119 A A E -g 142 0E 1 24,-2.8 26,-3.1 -2,-0.3 2,-0.3 -0.582 4.7-131.6-103.8 162.3 -78.1 -1.5 203.0 118 120 A Q - 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0 0 15 0, 0.0 3,-1.8 0, 0.0 4,-0.3 -0.368 45.5-120.2 -52.4 138.8 -103.9 -10.0 177.8 588 258 B P G > S+ 0 0 0 0, 0.0 3,-2.0 0, 0.0 4,-0.2 0.819 110.1 64.6 -58.4 -33.5 -106.0 -9.4 180.9 589 259 B S G > S+ 0 0 38 1,-0.3 3,-0.8 2,-0.2 4,-0.1 0.662 90.5 68.6 -65.2 -16.3 -107.0 -5.9 179.9 590 260 B E G X S+ 0 0 101 -3,-1.8 3,-0.7 1,-0.2 -1,-0.3 0.687 89.8 64.8 -70.8 -19.2 -108.8 -7.4 176.9 591 261 B Y G X + 0 0 6 -3,-2.0 3,-2.6 -4,-0.3 -1,-0.2 0.483 66.2 98.1 -87.2 -1.6 -111.4 -8.9 179.3 592 262 B V G X S+ 0 0 22 -3,-0.8 3,-1.2 1,-0.3 -1,-0.2 0.749 75.2 68.4 -55.3 -21.8 -112.8 -5.6 180.5 593 263 B D G < S+ 0 0 94 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.1 0.582 90.2 62.2 -75.4 -7.9 -115.6 -6.3 177.9 594 264 B R G < S+ 0 0 22 -3,-2.6 2,-0.3 -41,-0.0 -1,-0.2 0.351 108.7 30.2 -98.0 5.8 -116.9 -9.2 180.0 595 265 B F < - 0 0 0 -3,-1.2 2,-0.3 -4,-0.2 -40,-0.2 -0.970 59.4-136.8-160.9 172.9 -117.8 -7.2 183.1 596 266 B F E -v 555 0K 21 -42,-2.2 -40,-2.4 -2,-0.3 2,-0.3 -0.861 10.4-165.1-129.5 160.9 -118.9 -4.0 184.8 597 267 B V E -vw 556 619K 0 21,-2.3 23,-2.3 -42,-0.3 -40,-0.2 -0.970 22.9-114.4-141.8 158.6 -118.1 -2.0 187.8 598 268 B D E - w 0 620K 0 -42,-2.0 23,-0.2 -2,-0.3 -42,-0.1 -0.236 26.1-117.4 -80.1-178.0 -119.7 0.8 189.8 599 269 B S + 0 0 3 21,-1.2 2,-2.2 52,-0.1 3,-0.3 0.223 67.6 126.5-106.2 11.4 -118.4 4.4 190.1 600 270 B A + 0 0 11 1,-0.2 -2,-0.1 20,-0.2 -1,-0.1 -0.435 27.0 118.2 -78.7 73.7 -117.8 4.5 193.8 601 271 B V - 0 0 10 -2,-2.2 -364,-0.3 2,-0.1 -365,-0.2 0.331 65.1-139.4-121.8 2.6 -114.1 5.6 193.8 602 272 B F S S+ 0 0 48 -3,-0.3 -2,-0.1 -366,-0.1 -362,-0.1 0.610 71.5 83.0 56.2 19.2 -114.5 9.0 195.6 603 273 B N > - 0 0 54 1,-0.1 4,-3.0 -367,-0.0 5,-0.2 -0.950 69.3-140.3-158.0 134.8 -112.1 10.8 193.4 604 274 B P H > S+ 0 0 67 0, 0.0 4,-3.3 0, 0.0 5,-0.2 0.913 107.0 44.7 -63.5 -46.6 -112.3 12.5 190.0 605 275 B G H > S+ 0 0 22 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.869 114.3 51.4 -64.8 -36.6 -108.9 11.4 188.7 606 276 B A H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.925 112.2 46.6 -63.7 -45.4 -109.7 7.9 190.0 607 277 B L H X S+ 0 0 0 -4,-3.0 4,-2.9 2,-0.2 5,-0.2 0.945 110.4 51.9 -61.5 -50.0 -113.1 8.1 188.2 608 278 B E H X S+ 0 0 93 -4,-3.3 4,-2.2 1,-0.2 -2,-0.2 0.910 113.0 44.9 -55.4 -43.1 -111.5 9.3 184.9 609 279 B L H X S+ 0 0 13 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.895 110.4 55.3 -68.1 -39.4 -109.0 6.5 185.0 610 280 B L H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 5,-0.3 0.938 111.9 43.2 -55.1 -46.6 -111.7 4.0 185.8 611 281 B V H X S+ 0 0 16 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.881 109.8 55.7 -70.4 -36.3 -113.7 5.2 182.7 612 282 B S H < S+ 0 0 103 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.849 114.4 41.8 -63.9 -30.3 -110.6 5.2 180.5 613 283 B V H < S+ 0 0 31 -4,-1.7 -2,-0.2 -5,-0.1 -1,-0.2 0.898 125.9 27.4 -84.6 -42.7 -110.0 1.5 181.5 614 284 B M H < S- 0 0 8 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.781 104.1-119.8 -94.7 -31.5 -113.5 0.0 181.4 615 285 B G >< - 0 0 28 -4,-2.1 3,-2.1 -5,-0.3 4,-0.4 0.071 28.4 -87.1 96.4 147.0 -115.3 2.2 178.9 616 286 B E T 3 S+ 0 0 60 1,-0.3 3,-0.4 2,-0.2 39,-0.2 0.722 125.3 62.9 -58.0 -23.9 -118.4 4.3 179.4 617 287 B D T 3 S+ 0 0 72 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.548 105.9 44.2 -77.6 -9.7 -120.6 1.3 178.6 618 288 B R S < S+ 0 0 68 -3,-2.1 -21,-2.3 -7,-0.1 2,-0.4 0.331 91.4 82.2-129.9 7.8 -119.3 -0.6 181.6 619 289 B V E -w 597 0K 0 -3,-0.4 2,-0.3 -4,-0.4 -21,-0.2 -0.929 58.5-166.6-107.4 140.5 -119.2 1.7 184.6 620 290 B M E -w 598 0K 0 -23,-2.3 -21,-1.2 -2,-0.4 2,-0.3 -0.944 26.3-104.7-126.5 149.2 -122.5 2.2 186.5 621 291 B L + 0 0 1 30,-2.6 -283,-2.3 -2,-0.3 2,-0.3 -0.568 50.2 155.9 -72.5 129.6 -123.5 4.8 189.2 622 292 B G - 0 0 0 -2,-0.3 13,-0.2 -285,-0.2 -282,-0.1 -0.975 24.5-174.6-149.4 160.2 -123.6 3.3 192.7 623 293 B S - 0 0 1 -284,-1.6 8,-2.0 -2,-0.3 -283,-0.2 0.628 33.3-129.7-131.6 -20.7 -123.4 4.8 196.2 624 294 B D > - 0 0 3 -285,-2.2 3,-1.3 6,-0.2 -284,-0.2 0.598 55.5-161.7 60.9 15.9 -123.3 2.2 199.0 625 295 B Y B 3 +o 340 0H 15 -286,-0.9 -284,-2.9 1,-0.3 -1,-0.2 -0.208 56.6 27.8 -52.4 153.0 -126.0 4.3 200.6 626 296 B P T 3 S+ 0 0 16 0, 0.0 -1,-0.3 0, 0.0 4,-0.1 -0.941 94.8 105.0 -91.3 12.4 -127.2 4.6 203.2 627 297 B F S X S- 0 0 50 -3,-1.3 3,-2.1 2,-0.1 -244,-0.0 -0.047 80.6-113.7 -47.4 148.5 -124.0 3.5 204.9 628 298 B P T 3 S+ 0 0 59 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.886 119.0 50.5 -53.2 -45.3 -121.8 6.3 206.5 629 299 B L T 3 S+ 0 0 12 -5,-0.1 -2,-0.1 2,-0.0 -4,-0.1 0.215 89.2 117.2 -80.1 13.5 -119.1 5.7 203.9 630 300 B G S < S- 0 0 2 -3,-2.1 -6,-0.2 -6,-0.2 2,-0.1 -0.385 83.9 -80.5 -74.8 161.0 -121.6 6.0 201.1 631 301 B E - 0 0 33 -8,-2.0 3,-0.4 1,-0.1 -1,-0.1 -0.439 36.4-151.9 -62.7 134.9 -121.4 8.9 198.6 632 302 B Q S S+ 0 0 97 1,-0.3 2,-0.3 -2,-0.1 -1,-0.1 0.696 90.9 40.6 -85.4 -22.7 -122.9 12.0 200.2 633 303 B K S > S- 0 0 153 -10,-0.0 3,-4.6 -233,-0.0 4,-0.4 -0.677 95.9-134.7-124.1 77.9 -124.0 13.6 196.9 634 304 B I T 3 S- 0 0 7 -3,-0.4 -11,-0.1 -2,-0.3 -13,-0.0 -0.011 87.8 -4.9 -45.0 100.0 -125.3 10.6 195.0 635 305 B G T 3> S+ 0 0 0 -13,-0.2 4,-3.3 -36,-0.0 -1,-0.3 0.268 98.8 120.0 98.5 -9.1 -123.9 11.0 191.5 636 306 B G H <> S+ 0 0 10 -3,-4.6 4,-2.2 2,-0.2 -2,-0.1 0.819 72.7 53.0 -57.6 -35.4 -122.3 14.3 192.3 637 307 B L H 4 S+ 0 0 32 -4,-0.4 -1,-0.2 2,-0.2 4,-0.2 0.982 114.8 39.8 -62.1 -57.7 -118.8 13.0 191.6 638 308 B V H >4 S+ 0 0 1 1,-0.2 3,-1.1 2,-0.2 5,-0.3 0.901 117.4 51.6 -55.2 -44.3 -119.8 11.7 188.1 639 309 B L H 3< S+ 0 0 67 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.841 111.1 44.0 -67.6 -38.3 -121.9 14.8 187.5 640 310 B S T 3< S+ 0 0 99 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.216 97.0 103.1 -94.2 14.6 -119.3 17.4 188.3 641 311 B S S < S- 0 0 9 -3,-1.1 2,-0.6 -4,-0.2 -3,-0.1 -0.425 79.8-118.1 -85.2 167.3 -116.7 15.5 186.3 642 312 B N + 0 0 149 -2,-0.1 2,-0.2 -38,-0.1 -3,-0.1 -0.578 66.8 126.2-105.6 67.0 -115.4 16.4 182.9 643 313 B L - 0 0 31 -2,-0.6 -35,-0.0 -5,-0.3 -2,-0.0 -0.666 67.5 -77.5-106.8 171.5 -116.5 13.3 181.0 644 314 B G > - 0 0 39 -2,-0.2 4,-2.9 1,-0.1 5,-0.2 -0.197 34.9-118.0 -65.3 160.6 -118.6 13.1 177.8 645 315 B E H > S+ 0 0 120 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.896 119.1 50.4 -66.6 -40.9 -122.4 13.6 177.9 646 316 B S H > S+ 0 0 62 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.884 111.6 50.9 -60.0 -40.2 -122.9 10.1 176.6 647 317 B A H > S+ 0 0 3 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.971 109.8 46.3 -61.2 -58.1 -120.5 9.0 179.3 648 318 B K H X S+ 0 0 23 -4,-2.9 4,-2.2 1,-0.2 5,-0.2 0.858 117.1 47.5 -52.9 -36.8 -122.4 10.7 182.1 649 319 B D H X>S+ 0 0 51 -4,-2.1 4,-2.3 2,-0.2 5,-2.0 0.893 110.3 47.5 -76.0 -44.5 -125.6 9.4 180.7 650 320 B K H <>S+ 0 0 52 -4,-2.9 5,-2.7 3,-0.2 6,-0.4 0.845 117.4 46.7 -65.7 -31.0 -124.6 5.7 180.2 651 321 B I H <5S+ 0 0 0 -4,-2.4 -30,-2.6 -5,-0.2 -2,-0.2 0.896 119.4 35.4 -76.5 -42.8 -123.2 5.8 183.8 652 322 B I H <5S- 0 0 7 -4,-2.2 -316,-2.0 -5,-0.2 -2,-0.2 0.809 142.6 -9.5 -84.4 -28.5 -126.1 7.5 185.6 653 323 B S T X5S+ 0 0 15 -4,-2.3 4,-2.3 -5,-0.2 3,-0.3 0.643 117.7 63.2-130.8 -65.2 -128.9 5.9 183.6 654 324 B G H > S+ 0 0 2 -6,-0.4 4,-1.9 -3,-0.3 -1,-0.2 0.923 108.5 53.1 -59.4 -43.0 -128.1 0.4 184.9 657 327 B S H <>S+ 0 0 38 -4,-2.3 5,-3.1 1,-0.2 -2,-0.2 0.860 117.2 35.9 -58.9 -40.0 -131.3 0.3 182.7 658 328 B K H <5S+ 0 0 149 -4,-1.5 3,-0.3 3,-0.2 -2,-0.2 0.859 113.6 54.2 -86.5 -40.7 -129.9 -2.4 180.4 659 329 B F H <5S+ 0 0 3 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.938 125.5 25.0 -58.9 -49.2 -127.9 -4.5 182.9 660 330 B F T <5S- 0 0 6 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.374 109.5-121.5 -96.6 7.0 -130.8 -5.0 185.2 661 331 B N T 5 + 0 0 120 -3,-0.3 2,-0.4 1,-0.2 -3,-0.2 0.979 51.4 169.8 38.1 85.5 -133.4 -4.5 182.4 662 332 B I < 0 0 8 -5,-3.1 -1,-0.2 1,-0.1 -2,-0.1 -0.976 360.0 360.0-128.2 137.1 -135.2 -1.6 184.0 663 333 B N 0 0 201 -2,-0.4 -1,-0.1 -5,-0.0 -6,-0.1 0.741 360.0 360.0-124.4 360.0 -137.8 0.9 182.8