==== 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 14-JUN-06 2HBX . COMPND 2 MOLECULE: 2-AMINO-3-CARBOXYMUCONATE 6-SEMIALDEHYDE DECARBOX . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS FLUORESCENS; . AUTHOR D.MARTYNOWSKI,Y.EYOBO,T.LI,K.YANG,A.LIU,H.ZHANG . 664 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24707.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 463 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 4.7 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 . 4 0.6 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 . 35 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 214 32.2 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 8 1 0 2 3 0 0 4 2 2 2 1 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 7 4 2 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 0 PARALLEL BRIDGES PER LADDER . 2 0 0 1 1 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 . 1 3 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 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 0 156 0, 0.0 2,-0.1 0, 0.0 321,-0.0 0.000 360.0 360.0 360.0 76.6 29.5 -33.8 41.4 2 4 A P - 0 0 29 0, 0.0 2,-0.3 0, 0.0 68,-0.1 -0.432 360.0-115.6 -57.7 127.6 28.4 -32.9 37.9 3 5 A R - 0 0 69 66,-0.4 69,-1.7 -2,-0.1 68,-1.5 -0.562 31.8-158.8 -60.9 125.9 31.2 -33.3 35.4 4 6 A I E -a 72 0A 0 316,-3.3 2,-0.7 -2,-0.3 69,-0.2 -0.974 8.5-164.3-107.3 122.3 32.0 -29.9 34.0 5 7 A D E -a 73 0A 0 67,-2.6 69,-2.1 -2,-0.5 285,-0.2 -0.934 10.1-179.3-102.8 110.9 33.8 -29.7 30.7 6 8 A M + 0 0 1 283,-3.0 2,-0.4 -2,-0.7 284,-0.2 0.263 59.7 63.6-103.4 12.4 35.2 -26.2 30.5 7 9 A H + 0 0 2 282,-0.2 285,-3.3 2,-0.0 284,-1.1 -0.841 64.5 119.2-138.8 99.6 36.9 -26.1 27.1 8 10 A S B -c 293 0B 0 66,-0.5 68,-1.5 -2,-0.4 2,-0.3 -0.929 44.3-134.7-150.7 164.8 34.7 -26.6 24.1 9 11 A H E -d 76 0C 2 284,-2.5 2,-0.3 -2,-0.3 68,-0.2 -0.846 11.6-167.6-128.7 157.3 33.8 -24.5 21.0 10 12 A F E -d 77 0C 3 66,-1.9 68,-0.6 -2,-0.3 46,-0.2 -0.910 8.0-154.0-134.9 163.8 30.7 -23.6 19.1 11 13 A F - 0 0 0 44,-2.6 2,-0.1 -2,-0.3 66,-0.0 -0.975 21.9-129.9-141.3 128.6 30.1 -21.9 15.7 12 14 A P - 0 0 7 0, 0.0 2,-1.7 0, 0.0 18,-0.1 -0.353 27.0 -97.9 -78.8 157.8 26.9 -19.9 14.9 13 15 A R + 0 0 147 43,-0.2 2,-0.4 88,-0.1 18,-0.0 -0.571 60.4 157.4 -68.2 86.5 24.5 -20.2 12.0 14 16 A I - 0 0 7 -2,-1.7 16,-2.4 4,-0.0 2,-0.2 -0.947 31.3-138.9-112.0 140.3 25.9 -17.3 9.9 15 17 A S > - 0 0 48 -2,-0.4 4,-2.3 14,-0.2 5,-0.2 -0.521 25.1-108.5 -92.3 161.3 25.2 -17.2 6.1 16 18 A E H > S+ 0 0 73 1,-0.2 4,-2.9 2,-0.2 5,-0.1 0.909 120.3 53.6 -46.7 -48.8 27.7 -16.2 3.3 17 19 A Q H > S+ 0 0 149 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.885 108.6 46.4 -56.4 -46.6 25.7 -13.0 2.9 18 20 A E H 4 S+ 0 0 62 2,-0.2 4,-0.2 1,-0.2 -1,-0.2 0.915 114.5 47.8 -68.2 -41.1 25.9 -11.9 6.5 19 21 A A H >X S+ 0 0 1 -4,-2.3 4,-2.6 1,-0.2 3,-2.1 0.916 107.0 57.4 -62.4 -44.2 29.6 -12.7 6.7 20 22 A A H 3X S+ 0 0 49 -4,-2.9 4,-0.5 1,-0.3 -1,-0.2 0.852 95.3 64.8 -55.5 -39.0 30.2 -10.8 3.4 21 23 A K H 3< S+ 0 0 158 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.596 113.3 34.3 -61.4 -13.1 28.6 -7.6 5.0 22 24 A F H <4 S- 0 0 26 -3,-2.1 -2,-0.2 -4,-0.2 2,-0.2 0.760 143.5 -18.9-103.5 -49.3 31.7 -7.7 7.3 23 25 A D H X - 0 0 35 -4,-2.6 4,-2.0 4,-0.1 21,-0.3 -0.678 48.4-156.3-168.7 108.4 34.4 -9.0 5.0 24 26 A A T < S+ 0 0 60 -4,-0.5 -4,-0.1 1,-0.2 21,-0.1 0.697 98.4 32.0 -52.6 -30.3 33.9 -10.9 1.8 25 27 A N T 4 S+ 0 0 114 19,-0.2 -1,-0.2 -5,-0.1 21,-0.2 0.805 129.1 26.7-101.7 -34.4 37.3 -12.5 2.0 26 28 A H T 4 S+ 0 0 102 -7,-0.1 -2,-0.2 17,-0.1 57,-0.1 0.437 86.9 100.2-118.6 -3.7 38.1 -13.0 5.7 27 29 A A < - 0 0 0 -4,-2.0 17,-1.0 -8,-0.1 2,-0.1 -0.760 67.5-130.9 -89.5 125.2 34.8 -13.3 7.7 28 30 A P E +E 43 0D 0 0, 0.0 2,-0.3 0, 0.0 15,-0.2 -0.439 28.9 177.4 -75.9 148.2 34.0 -16.9 8.6 29 31 A W E -E 42 0D 20 13,-1.9 13,-3.5 -2,-0.1 2,-0.5 -0.906 26.3-109.4-139.4 175.2 30.5 -18.4 7.9 30 32 A L E -E 41 0D 10 -16,-2.4 2,-0.5 -2,-0.3 11,-0.2 -0.914 18.4-167.7-117.1 119.7 28.7 -21.7 8.2 31 33 A Q E -E 40 0D 87 9,-3.0 9,-2.4 -2,-0.5 2,-0.4 -0.907 11.8-165.2-102.0 128.0 27.6 -23.9 5.4 32 34 A V E -E 39 0D 36 -2,-0.5 7,-0.2 7,-0.2 20,-0.0 -0.922 23.0-114.3-115.7 137.0 25.2 -26.7 6.5 33 35 A S - 0 0 37 5,-2.7 3,-0.4 -2,-0.4 -1,-0.0 -0.266 28.5-111.2 -64.6 156.1 24.4 -29.6 4.2 34 36 A A S S+ 0 0 117 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.892 122.2 56.6 -53.8 -39.4 20.9 -30.0 3.0 35 37 A K S S- 0 0 176 1,-0.1 -1,-0.2 3,-0.0 -3,-0.0 0.862 105.1-136.5 -60.9 -39.5 20.6 -33.0 5.2 36 38 A G S S+ 0 0 21 -3,-0.4 -2,-0.1 2,-0.3 -1,-0.1 0.499 77.7 95.4 96.8 7.4 21.6 -30.8 8.2 37 39 A D S S+ 0 0 64 15,-0.1 16,-2.3 1,-0.1 2,-0.3 0.786 84.5 29.9-100.0 -36.7 24.1 -33.2 9.9 38 40 A T E + F 0 52D 69 14,-0.2 -5,-2.7 15,-0.1 -2,-0.3 -0.756 64.3 155.0-120.3 170.0 27.4 -32.0 8.5 39 41 A G E -EF 32 51D 9 12,-2.6 12,-2.6 -2,-0.3 2,-0.3 -0.936 28.8-113.0-168.1-171.1 28.8 -28.7 7.4 40 42 A S E -EF 31 50D 13 -9,-2.4 -9,-3.0 10,-0.3 2,-0.5 -0.992 18.3-127.6-144.9 134.9 31.9 -26.5 6.8 41 43 A I E -EF 30 49D 0 8,-2.5 7,-2.7 -2,-0.3 8,-1.5 -0.739 40.2-158.0 -67.2 124.0 33.2 -23.3 8.2 42 44 A M E -EF 29 47D 12 -13,-3.5 -13,-1.9 -2,-0.5 2,-0.4 -0.787 18.8-156.5-107.7 152.3 33.8 -21.2 5.2 43 45 A M E > S-EF 28 46D 48 3,-3.3 3,-2.4 -2,-0.3 2,-0.2 -0.954 71.7 -46.7-125.1 115.2 36.1 -18.2 4.6 44 46 A G T 3 S- 0 0 6 -17,-1.0 -19,-0.2 -2,-0.4 -15,-0.1 -0.496 123.2 -27.5 59.4-126.9 34.8 -16.1 1.8 45 47 A K T 3 S+ 0 0 163 -2,-0.2 2,-0.3 -21,-0.1 -1,-0.3 0.305 121.7 99.8 -96.8 8.3 34.0 -18.6 -1.0 46 48 A N E < S-F 43 0D 122 -3,-2.4 -3,-3.3 -21,-0.2 2,-0.4 -0.776 78.0-115.8-105.2 140.3 36.6 -21.1 0.3 47 49 A N E -F 42 0D 97 -2,-0.3 -5,-0.2 -5,-0.2 -2,-0.1 -0.567 31.6-179.7 -68.1 120.2 36.1 -24.2 2.5 48 50 A F E - 0 0 97 -7,-2.7 -6,-0.2 -2,-0.4 -1,-0.2 0.938 59.5 -28.7 -89.9 -59.3 37.9 -23.6 5.8 49 51 A R E -F 41 0D 64 -8,-1.5 -8,-2.5 2,-0.0 -1,-0.3 -0.967 60.2-109.7-157.1 149.2 37.3 -26.8 7.7 50 52 A P E +F 40 0D 95 0, 0.0 -10,-0.3 0, 0.0 2,-0.3 -0.551 41.8 167.7 -79.9 146.8 34.6 -29.6 7.9 51 53 A V E -F 39 0D 19 -12,-2.6 -12,-2.6 -2,-0.2 2,-0.3 -0.877 21.3-128.0-151.7 168.5 32.4 -29.8 11.0 52 54 A Y E > -F 38 0D 71 -2,-0.3 3,-2.3 -14,-0.2 4,-0.4 -0.817 38.0 -82.4-132.5 175.5 29.3 -31.4 12.3 53 55 A Q G >> S+ 0 0 38 -16,-2.3 4,-2.2 1,-0.3 3,-1.5 0.699 112.4 69.0 -48.1 -38.2 26.0 -30.7 14.0 54 56 A A G 34 S+ 0 0 0 1,-0.3 -1,-0.3 2,-0.2 7,-0.1 0.668 92.7 61.6 -58.9 -19.3 27.2 -30.5 17.6 55 57 A L G <4 S+ 0 0 2 -3,-2.3 -44,-2.6 1,-0.1 -1,-0.3 0.784 121.2 18.4 -80.6 -27.3 29.1 -27.3 16.9 56 58 A W T <4 S+ 0 0 16 -3,-1.5 -43,-0.2 -4,-0.4 -2,-0.2 0.512 111.5 75.2-119.4 -8.4 26.0 -25.2 15.9 57 59 A D X - 0 0 40 -4,-2.2 4,-2.2 1,-0.1 -1,-0.2 -0.918 51.3-170.9-118.6 110.9 23.0 -27.2 17.3 58 60 A P H > S+ 0 0 23 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.711 88.9 52.0 -70.0 -27.3 22.4 -26.9 21.1 59 61 A A H > S+ 0 0 43 2,-0.2 4,-1.6 1,-0.1 -5,-0.1 0.938 112.0 44.7 -73.4 -52.9 19.8 -29.7 21.1 60 62 A F H > S+ 0 0 70 1,-0.2 4,-1.5 2,-0.2 3,-0.3 0.912 112.6 54.7 -53.3 -42.8 22.0 -32.1 19.2 61 63 A R H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.892 101.9 56.3 -61.7 -43.1 24.8 -31.1 21.6 62 64 A I H X S+ 0 0 16 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.870 104.0 54.4 -53.6 -40.9 22.7 -31.9 24.7 63 65 A E H X S+ 0 0 128 -4,-1.6 4,-2.2 -3,-0.3 -1,-0.2 0.935 110.5 45.1 -62.3 -44.5 22.2 -35.5 23.4 64 66 A E H X S+ 0 0 52 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.891 110.5 53.8 -68.1 -39.5 26.0 -36.0 23.1 65 67 A M H X>S+ 0 0 2 -4,-2.5 5,-1.9 2,-0.2 4,-1.6 0.922 109.5 48.5 -57.4 -47.9 26.6 -34.4 26.5 66 68 A D H <5S+ 0 0 86 -4,-2.5 3,-0.4 1,-0.2 -2,-0.2 0.923 112.6 49.1 -52.6 -47.2 24.1 -36.9 28.0 67 69 A A H <5S+ 0 0 90 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.778 114.5 45.5 -67.0 -28.8 25.9 -39.8 26.1 68 70 A Q H <5S- 0 0 51 -4,-1.8 -1,-0.2 2,-0.1 -2,-0.2 0.653 110.5-113.9 -89.1 -21.9 29.3 -38.6 27.4 69 71 A G T <5 + 0 0 33 -4,-1.6 2,-0.6 -3,-0.4 -66,-0.4 0.626 67.4 143.1 88.0 17.4 28.4 -38.0 31.1 70 72 A V < + 0 0 2 -5,-1.9 -1,-0.3 -6,-0.2 -2,-0.1 -0.839 24.8 177.8 -88.8 118.0 29.0 -34.2 30.8 71 73 A D S S+ 0 0 72 -68,-1.5 2,-0.4 -2,-0.6 -67,-0.2 0.781 70.9 22.4 -89.9 -34.4 26.5 -32.2 32.9 72 74 A V E -a 4 0A 10 -69,-1.7 -67,-2.6 -7,-0.1 2,-0.4 -0.991 65.7-170.8-137.1 130.7 27.7 -28.7 32.2 73 75 A Q E -ab 5 113A 0 39,-3.0 41,-3.1 -2,-0.4 2,-0.5 -0.977 11.2-154.7-119.2 134.8 29.7 -27.5 29.3 74 76 A V E - b 0 114A 1 -69,-2.1 -66,-0.5 -2,-0.4 2,-0.3 -0.922 25.3-177.6-101.4 131.1 31.3 -24.0 28.9 75 77 A T E + b 0 115A 0 39,-2.7 41,-1.7 -2,-0.5 -66,-0.3 -0.955 7.6 176.6-135.7 150.7 31.7 -23.2 25.2 76 78 A C E -d 9 0C 1 -68,-1.5 -66,-1.9 -2,-0.3 41,-0.1 -0.873 39.6 -50.6-146.4 172.4 33.2 -20.3 23.3 77 79 A A E -d 10 0C 2 39,-0.4 -1,-0.2 -2,-0.3 -66,-0.1 -0.017 52.5-114.3 -39.2 143.9 34.1 -18.9 19.8 78 80 A T > - 0 0 2 -68,-0.6 3,-3.0 -69,-0.1 4,-0.2 -0.772 37.2-116.7 -74.1 132.1 36.0 -21.1 17.4 79 81 A P G > S+ 0 0 23 0, 0.0 3,-2.1 0, 0.0 4,-0.3 0.737 112.5 69.2 -51.0 -27.3 39.3 -19.1 17.1 80 82 A V G 3 S+ 0 0 27 1,-0.3 3,-0.3 2,-0.1 -3,-0.0 0.653 92.7 64.1 -64.0 -14.5 38.7 -18.4 13.4 81 83 A M G < S+ 0 0 0 -3,-3.0 -1,-0.3 1,-0.2 17,-0.1 0.573 76.6 90.7 -77.0 -13.7 35.9 -16.2 14.7 82 84 A F < - 0 0 2 -3,-2.1 -1,-0.2 -4,-0.2 39,-0.2 0.840 62.8-164.0 -61.3 -44.4 38.2 -13.7 16.5 83 85 A G > + 0 0 6 -4,-0.3 3,-2.0 -3,-0.3 -1,-0.1 0.753 26.9 156.8 65.3 30.2 38.8 -11.2 13.8 84 86 A Y T 3 + 0 0 10 1,-0.3 -1,-0.1 37,-0.1 7,-0.1 0.679 69.2 54.4 -61.0 -22.2 41.8 -9.6 15.6 85 87 A T T 3 S+ 0 0 119 2,-0.1 -1,-0.3 6,-0.0 3,-0.1 0.433 90.3 98.0 -89.7 -1.6 43.2 -8.3 12.4 86 88 A W S < S- 0 0 27 -3,-2.0 2,-0.1 1,-0.2 36,-0.0 -0.332 91.2 -75.5 -84.1 170.1 40.1 -6.3 11.3 87 89 A E > - 0 0 104 1,-0.1 4,-2.5 -2,-0.1 3,-0.3 -0.410 50.4-119.3 -58.8 137.1 39.2 -2.7 11.6 88 90 A A H > S+ 0 0 22 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.865 107.9 47.1 -50.4 -55.2 38.3 -2.1 15.3 89 91 A N H > S+ 0 0 108 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.869 115.4 48.0 -59.8 -36.7 34.7 -0.8 14.9 90 92 A K H > S+ 0 0 73 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.910 111.7 48.1 -70.0 -41.5 34.0 -3.7 12.6 91 93 A A H X S+ 0 0 2 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.893 111.2 53.4 -66.9 -37.4 35.5 -6.3 14.9 92 94 A A H X S+ 0 0 17 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.924 109.0 46.5 -59.6 -48.6 33.5 -4.7 17.7 93 95 A Q H X S+ 0 0 131 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.919 114.7 49.4 -62.7 -43.0 30.2 -5.1 15.8 94 96 A W H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.880 107.9 52.9 -54.6 -49.1 31.2 -8.7 14.9 95 97 A A H X S+ 0 0 1 -4,-2.7 4,-3.0 2,-0.2 23,-0.3 0.943 109.5 48.6 -59.1 -50.2 32.1 -9.5 18.6 96 98 A E H X S+ 0 0 85 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.929 111.9 49.0 -53.7 -51.6 28.7 -8.4 19.8 97 99 A R H X S+ 0 0 88 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.910 113.4 46.9 -56.2 -48.0 26.9 -10.4 17.1 98 100 A M H X S+ 0 0 1 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.911 112.0 50.3 -61.2 -42.1 28.9 -13.5 17.9 99 101 A N H X S+ 0 0 2 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.861 109.7 50.9 -69.0 -32.4 28.3 -13.1 21.6 100 102 A D H X S+ 0 0 59 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.892 109.1 50.5 -66.2 -43.1 24.6 -12.7 21.0 101 103 A F H X S+ 0 0 22 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.861 109.2 53.4 -59.4 -37.2 24.6 -15.9 18.9 102 104 A A H X S+ 0 0 1 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.900 109.5 46.4 -68.8 -40.6 26.4 -17.5 21.9 103 105 A L H X S+ 0 0 40 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.920 111.8 51.2 -64.4 -43.9 23.8 -16.4 24.3 104 106 A E H X S+ 0 0 138 -4,-2.4 4,-0.6 2,-0.2 -2,-0.2 0.850 110.3 50.8 -62.2 -36.9 21.0 -17.6 22.0 105 107 A F H >< S+ 0 0 15 -4,-2.0 3,-0.9 1,-0.2 4,-0.2 0.934 113.5 43.6 -63.8 -48.9 22.8 -20.9 21.7 106 108 A A H >< S+ 0 0 7 -4,-2.2 3,-1.9 1,-0.2 7,-0.3 0.752 98.2 73.9 -70.0 -27.5 23.0 -21.3 25.5 107 109 A A H 3< S+ 0 0 68 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.777 79.2 75.3 -58.6 -27.2 19.4 -20.1 26.0 108 110 A H T << S- 0 0 89 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.829 129.1 -11.5 -49.8 -36.7 18.4 -23.6 24.6 109 111 A N X> - 0 0 44 -3,-1.9 4,-1.7 -4,-0.2 3,-1.1 -0.330 66.8-177.1-165.9 79.8 19.4 -24.8 28.1 110 112 A P T 34 S+ 0 0 63 0, 0.0 -3,-0.1 0, 0.0 -2,-0.1 0.598 80.6 65.1 -63.8 -9.7 21.3 -22.2 30.3 111 113 A Q T 34 S+ 0 0 136 1,-0.1 3,-0.1 -5,-0.1 -4,-0.1 0.916 115.0 25.3 -75.0 -43.4 21.7 -24.8 33.1 112 114 A R T <4 S+ 0 0 45 -3,-1.1 -39,-3.0 -6,-0.1 2,-0.5 0.594 118.4 63.2-100.4 -10.5 23.9 -27.2 31.1 113 115 A I E < +b 73 0A 2 -4,-1.7 2,-0.3 -7,-0.3 -39,-0.2 -0.959 56.7 175.3-126.5 118.4 25.4 -24.7 28.6 114 116 A K E -b 74 0A 46 -41,-3.1 -39,-2.7 -2,-0.5 2,-0.3 -0.889 13.2-155.6-118.7 148.1 27.6 -21.8 29.7 115 117 A V E -b 75 0A 2 -2,-0.3 25,-2.6 23,-0.3 26,-0.5 -0.919 9.9-152.0-129.6 151.7 29.4 -19.5 27.3 116 118 A L E -g 141 0E 2 -41,-1.7 -39,-0.4 -2,-0.3 26,-0.3 -0.858 25.6-125.8-115.8 158.0 32.3 -17.2 27.2 117 119 A A E -g 142 0E 1 24,-2.9 26,-3.0 -2,-0.3 2,-0.3 -0.560 7.1-134.2-101.8 162.0 32.6 -14.1 25.0 118 120 A Q - 0 0 3 -23,-0.3 26,-0.1 24,-0.2 -19,-0.1 -0.744 21.5-158.3-105.1 164.4 35.0 -12.9 22.4 119 121 A V - 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0 0 29 -4,-3.1 3,-2.2 -5,-0.4 -3,-0.1 0.162 27.0 -90.0 93.3 141.7 63.7 -45.8 28.2 617 286 B E G > S+ 0 0 62 1,-0.3 3,-0.7 2,-0.1 39,-0.2 0.761 125.6 61.2 -55.8 -25.9 66.7 -45.7 30.5 618 287 B D G 3 S+ 0 0 87 1,-0.2 -1,-0.3 -6,-0.1 -2,-0.1 0.465 101.5 54.1 -78.1 -0.5 68.9 -47.1 27.6 619 288 B R G < S+ 0 0 59 -3,-2.2 -21,-1.9 -7,-0.1 2,-0.4 0.102 87.7 83.0-125.8 23.9 68.2 -44.1 25.4 620 289 B V E < -v 598 0I 0 -3,-0.7 2,-0.4 -23,-0.2 36,-0.2 -0.998 55.6-166.8-132.2 129.5 69.2 -41.1 27.5 621 290 B M E -v 599 0I 0 -23,-2.0 -21,-1.9 -2,-0.4 2,-0.3 -0.914 29.7-102.6-121.4 144.6 72.8 -39.8 27.9 622 291 B L + 0 0 0 30,-2.7 -283,-2.7 -2,-0.4 2,-0.3 -0.499 48.4 161.5 -64.1 122.0 74.4 -37.3 30.2 623 292 B G + 0 0 1 -2,-0.3 13,-0.1 -285,-0.2 -282,-0.1 -0.986 17.3 178.7-141.3 138.4 74.9 -34.0 28.5 624 293 B S - 0 0 0 -284,-0.9 8,-2.0 -2,-0.3 -283,-0.2 0.763 39.8-123.4-107.2 -35.8 75.5 -30.7 30.4 625 294 B D > - 0 0 12 -285,-3.1 3,-1.5 6,-0.2 6,-0.2 0.659 48.5-146.0 80.2 27.0 76.0 -28.1 27.7 626 295 B Y B 3 +n 341 0G 13 -286,-0.8 -284,-1.9 1,-0.3 -1,-0.2 -0.313 64.1 17.7 -53.5 143.2 79.4 -27.1 29.1 627 296 B P T 3 S+ 0 0 11 0, 0.0 -1,-0.3 0, 0.0 -239,-0.1 -0.894 94.5 102.9-100.7 20.0 80.9 -24.5 29.3 628 297 B F S X S- 0 0 22 -3,-1.5 3,-2.6 1,-0.1 -244,-0.0 -0.297 75.8-119.1 -66.8 149.9 77.9 -22.2 28.7 629 298 B P T 3 S+ 0 0 63 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.823 116.0 53.7 -61.5 -34.4 76.4 -20.4 31.8 630 299 B L T 3 S+ 0 0 11 -5,-0.1 2,-0.1 2,-0.1 -4,-0.1 0.475 90.3 109.5 -77.0 -1.5 73.0 -22.1 31.2 631 300 B G S < S- 0 0 2 -3,-2.6 -6,-0.2 -6,-0.2 -7,-0.1 -0.450 89.8 -82.5 -74.6 150.7 74.9 -25.4 31.3 632 301 B E - 0 0 40 -8,-2.0 3,-0.2 1,-0.1 -1,-0.1 -0.265 38.5-155.4 -54.5 130.7 74.4 -27.7 34.2 633 302 B Q S S+ 0 0 102 1,-0.3 2,-1.1 -3,-0.1 -1,-0.1 0.947 88.5 42.8 -80.7 -51.7 76.8 -26.5 36.9 634 303 B K S > S- 0 0 149 -10,-0.0 3,-2.4 2,-0.0 4,-0.4 -0.804 95.3-141.2 -91.0 95.2 77.2 -29.8 38.8 635 304 B I T 3 S+ 0 0 3 -2,-1.1 -11,-0.1 1,-0.3 -2,-0.0 -0.424 86.7 14.0 -60.2 118.6 77.6 -32.1 35.7 636 305 B G T 3> S+ 0 0 0 -2,-0.3 4,-2.8 -13,-0.1 -1,-0.3 0.196 95.0 118.0 99.3 -12.7 75.7 -35.3 36.5 637 306 B G H <> S+ 0 0 13 -3,-2.4 4,-1.0 1,-0.2 -2,-0.1 0.780 70.3 48.5 -63.9 -36.0 73.9 -33.8 39.4 638 307 B L H 4 S+ 0 0 28 -4,-0.4 4,-0.4 2,-0.2 -1,-0.2 0.889 117.1 42.4 -70.9 -39.3 70.3 -34.1 38.2 639 308 B V H >4 S+ 0 0 2 1,-0.2 3,-1.1 2,-0.2 5,-0.3 0.945 114.3 50.5 -70.6 -45.1 70.7 -37.7 37.3 640 309 B L H 3< S+ 0 0 64 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.675 112.6 45.4 -70.6 -19.3 72.7 -38.7 40.4 641 310 B S T 3< S+ 0 0 92 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.459 94.0 109.4-102.0 -2.5 70.2 -37.1 42.8 642 311 B S S < S- 0 0 14 -3,-1.1 -3,-0.1 -4,-0.4 7,-0.1 -0.128 80.1-113.7 -71.3 167.4 67.1 -38.6 41.1 643 312 B N S S+ 0 0 146 -38,-0.1 -1,-0.1 2,-0.0 -3,-0.1 0.311 78.3 116.9 -81.9 5.3 64.8 -41.3 42.3 644 313 B L S S- 0 0 29 -5,-0.3 2,-0.1 1,-0.1 -35,-0.0 -0.239 72.9 -96.1 -65.4 163.6 65.9 -43.7 39.4 645 314 B G > - 0 0 44 1,-0.1 4,-2.3 4,-0.0 5,-0.1 -0.328 31.6-106.4 -78.0 165.9 67.6 -47.0 40.3 646 315 B E H > S+ 0 0 131 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.804 121.3 55.0 -61.6 -33.7 71.4 -47.4 40.3 647 316 B S H > S+ 0 0 68 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.951 108.4 46.6 -63.2 -52.0 71.1 -49.4 37.1 648 317 B A H > S+ 0 0 1 1,-0.2 4,-1.9 2,-0.2 3,-0.5 0.915 112.1 52.0 -56.8 -43.0 69.3 -46.6 35.3 649 318 B K H X S+ 0 0 28 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.906 105.9 53.1 -63.3 -45.7 71.8 -44.0 36.6 650 319 B D H X>S+ 0 0 62 -4,-2.1 5,-3.7 1,-0.2 4,-0.9 0.751 109.4 49.8 -58.6 -30.2 74.9 -46.0 35.4 651 320 B K H <>S+ 0 0 55 -4,-1.2 5,-3.1 -3,-0.5 6,-0.6 0.931 114.0 43.5 -75.9 -44.4 73.5 -46.1 31.8 652 321 B I H <5S+ 0 0 0 -4,-1.9 -30,-2.7 1,-0.2 -2,-0.2 0.894 120.3 40.5 -67.6 -43.6 72.7 -42.4 31.7 653 322 B I H <5S- 0 0 7 -4,-2.6 -316,-2.9 -5,-0.2 -1,-0.2 0.769 144.6 -21.1 -70.7 -26.7 76.0 -41.3 33.2 654 323 B S T X5S+ 0 0 11 -4,-0.9 4,-2.1 -5,-0.3 -3,-0.2 0.522 118.1 70.0-154.9 -64.6 78.2 -43.8 31.4 655 324 B G H > S+ 0 0 0 -6,-0.6 4,-2.2 1,-0.2 6,-0.3 0.772 107.0 60.2 -66.7 -31.3 77.2 -43.0 25.8 658 327 B S H X>S+ 0 0 18 -4,-2.1 5,-1.7 -7,-0.2 4,-0.6 0.945 113.9 35.9 -55.7 -52.0 80.0 -45.6 25.9 659 328 B K H <5S+ 0 0 135 -4,-1.6 -2,-0.2 3,-0.2 -1,-0.1 0.920 117.8 51.8 -69.9 -48.0 78.0 -47.8 23.5 660 329 B F H <5S+ 0 0 5 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.914 125.4 23.9 -55.4 -54.8 76.6 -44.9 21.4 661 330 B F H <5S- 0 0 5 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.467 106.1-122.6 -90.5 -3.8 80.0 -43.1 20.7 662 331 B N T <5 + 0 0 115 -4,-0.6 2,-0.7 1,-0.2 -3,-0.2 0.968 52.1 160.2 51.0 57.7 82.0 -46.3 21.2 663 332 B I < - 0 0 10 -5,-1.7 2,-1.7 -6,-0.3 -1,-0.2 -0.951 40.1-134.2-103.5 111.7 84.1 -44.8 24.0 664 333 B N 0 0 126 -2,-0.7 -5,-0.0 1,-0.2 -6,-0.0 -0.519 360.0 360.0 -84.6 88.5 85.4 -47.9 25.8 665 334 B V 0 0 136 -2,-1.7 -1,-0.2 -11,-0.1 -329,-0.1 0.893 360.0 360.0 60.7 360.0 84.9 -47.2 29.5