==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 11-SEP-05 2C13 . COMPND 2 MOLECULE: DELTA-AMINOLEVULINIC ACID DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR F.FRERE,M.NENTWICH,S.GACOND,D.W.HEINZ,R.NEIER, . 663 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24168.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 478 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 93 14.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 1.8 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 0.3 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 . 40 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 215 32.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.1 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 2 0 0 4 0 2 0 4 7 2 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 5 5 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 PARALLEL BRIDGES PER LADDER . 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 F 0 0 95 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 148.8 127.8 57.2 -16.6 2 4 A T - 0 0 114 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.894 360.0-168.7-109.2 106.9 129.4 58.6 -19.8 3 5 A P > - 0 0 54 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.666 26.2-147.3 -66.2 -16.8 128.5 56.7 -23.0 4 6 A A T 3 - 0 0 71 1,-0.3 -2,-0.1 2,-0.0 0, 0.0 0.732 53.2 -76.5 51.6 30.2 131.3 58.7 -24.8 5 7 A N T 3 S+ 0 0 162 1,-0.2 -1,-0.3 572,-0.0 2,-0.2 0.747 73.1 175.7 65.1 24.7 129.4 58.7 -28.1 6 8 A R < + 0 0 107 -3,-1.6 2,-0.4 4,-0.1 -1,-0.2 -0.476 7.7 178.8 -68.8 129.8 130.4 55.1 -28.8 7 9 A A >> - 0 0 50 -2,-0.2 4,-2.4 574,-0.0 3,-0.9 -0.997 25.1 -80.3-140.3 134.9 128.6 54.0 -32.1 8 10 A Y T 34 S+ 0 0 69 -2,-0.4 4,-0.1 1,-0.3 505,-0.0 -0.471 107.0 23.1 -60.5 140.9 128.4 50.9 -34.3 9 11 A P T 34 S+ 0 0 55 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 -0.992 125.9 49.4 -94.2 -0.2 130.3 50.0 -36.4 10 12 A Y T <4 S+ 0 0 197 -3,-0.9 2,-0.6 1,-0.2 -2,-0.3 0.921 120.0 45.3 -60.2 -44.8 133.3 51.9 -34.9 11 13 A T < + 0 0 31 -4,-2.4 2,-0.5 4,-0.0 -1,-0.2 -0.926 68.0 167.6 -98.5 115.7 132.2 50.3 -31.6 12 14 A R > - 0 0 58 -2,-0.6 3,-1.8 -4,-0.1 4,-0.4 -0.952 20.2-161.6-120.8 105.5 131.5 46.6 -31.9 13 15 A L T 3> S+ 0 0 21 -2,-0.5 4,-0.6 1,-0.3 3,-0.3 0.661 84.3 72.1 -66.6 -12.0 131.2 45.1 -28.4 14 16 A R T 34 S+ 0 0 4 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.657 77.5 79.5 -72.5 -13.7 131.7 41.5 -29.8 15 17 A R T X4 S+ 0 0 128 -3,-1.8 3,-1.7 1,-0.2 4,-0.4 0.964 96.5 43.1 -61.8 -48.0 135.5 42.3 -30.6 16 18 A N T 34 S+ 0 0 80 -4,-0.4 3,-0.4 -3,-0.3 -1,-0.2 0.804 112.7 54.7 -63.9 -26.8 136.4 41.7 -26.9 17 19 A R T 3< S+ 0 0 8 -4,-0.6 -1,-0.3 1,-0.2 -2,-0.2 0.503 85.7 90.3 -79.2 -2.3 134.2 38.7 -26.9 18 20 A R S < S+ 0 0 83 -3,-1.7 2,-0.3 -4,-0.4 -1,-0.2 0.889 93.1 22.1 -63.9 -42.8 136.0 37.2 -30.0 19 21 A D S > S- 0 0 70 -3,-0.4 4,-2.5 -4,-0.4 3,-0.2 -0.883 72.7-121.2-132.8 150.9 138.6 35.3 -28.1 20 22 A D H > S+ 0 0 86 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.852 111.6 58.1 -56.7 -39.6 139.1 33.7 -24.7 21 23 A F H > S+ 0 0 124 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.892 110.5 40.4 -63.9 -44.2 142.2 35.8 -24.1 22 24 A S H > S+ 0 0 10 2,-0.2 4,-2.2 -3,-0.2 5,-0.2 0.891 112.9 56.5 -69.4 -39.8 140.4 39.2 -24.6 23 25 A R H X S+ 0 0 44 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.912 111.1 44.4 -47.5 -50.7 137.4 37.9 -22.7 24 26 A R H < S+ 0 0 161 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.865 109.7 55.7 -67.2 -42.0 139.7 37.2 -19.8 25 27 A L H < S+ 0 0 134 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.886 117.8 32.1 -58.8 -44.9 141.5 40.5 -20.0 26 28 A V H < S+ 0 0 58 -4,-2.2 -1,-0.2 -10,-0.2 -2,-0.2 0.531 82.3 130.7 -94.9 -8.1 138.4 42.6 -19.7 27 29 A R < - 0 0 81 -4,-1.1 541,-0.1 -5,-0.2 -3,-0.0 -0.268 47.1-153.3 -53.5 121.9 136.4 40.3 -17.4 28 30 A E + 0 0 63 1,-0.1 2,-0.3 -2,-0.0 -1,-0.2 0.703 64.8 20.4 -79.9 -24.6 135.1 42.6 -14.6 29 31 A N - 0 0 45 2,-0.0 2,-0.3 540,-0.0 538,-0.1 -0.981 56.4-168.6-147.1 149.3 134.7 40.2 -11.7 30 32 A V - 0 0 86 -2,-0.3 2,-0.4 282,-0.1 0, 0.0 -0.991 20.7-130.6-138.5 141.5 135.9 36.8 -10.5 31 33 A L + 0 0 14 -2,-0.3 2,-0.3 274,-0.1 278,-0.1 -0.761 32.3 174.1 -81.4 135.5 134.9 34.5 -7.7 32 34 A T > - 0 0 54 -2,-0.4 3,-1.7 1,-0.0 4,-0.1 -0.864 48.0-101.4-132.0 171.7 137.7 33.1 -5.5 33 35 A V G > S+ 0 0 35 1,-0.3 3,-1.4 -2,-0.3 295,-0.1 0.696 115.9 72.9 -67.3 -18.5 137.8 31.1 -2.3 34 36 A D G 3 S+ 0 0 126 1,-0.2 -1,-0.3 44,-0.1 43,-0.0 0.545 93.1 56.4 -69.0 -9.8 138.4 34.3 -0.4 35 37 A D G < S+ 0 0 16 -3,-1.7 284,-3.1 283,-0.1 2,-0.4 0.427 90.2 104.1 -97.5 0.9 134.7 35.1 -1.1 36 38 A L E < +a 319 0A 0 -3,-1.4 44,-0.9 282,-0.2 2,-0.5 -0.707 38.7 176.0-106.1 128.1 133.3 31.9 0.5 37 39 A I E -ab 320 80A 10 282,-2.7 284,-2.9 -2,-0.4 44,-0.2 -0.989 18.8-150.4-120.9 127.2 131.6 31.3 3.8 38 40 A L E - b 0 81A 12 42,-2.3 44,-1.8 -2,-0.5 2,-0.2 -0.834 6.3-152.7 -94.9 111.7 130.2 27.8 4.5 39 41 A P E - b 0 82A 5 0, 0.0 2,-0.4 0, 0.0 44,-0.2 -0.593 17.0-167.0 -77.5 147.2 127.2 27.5 6.8 40 42 A V E - b 0 83A 11 42,-2.4 44,-2.6 -2,-0.2 2,-0.5 -0.997 20.1-133.0-138.7 138.0 126.9 24.2 8.7 41 43 A F E -cb 60 84A 1 18,-0.5 20,-2.5 -2,-0.4 2,-0.5 -0.845 26.2-153.1 -95.1 125.1 124.1 22.6 10.7 42 44 A V E -cb 61 85A 1 42,-2.3 44,-3.6 -2,-0.5 20,-0.2 -0.892 7.1-161.1-113.5 119.3 125.4 21.3 14.0 43 45 A L E -c 62 0A 12 18,-2.3 20,-0.6 -2,-0.5 5,-0.1 -0.597 20.2-117.3 -93.1 154.3 123.8 18.3 15.8 44 46 A D S S+ 0 0 53 42,-0.4 -1,-0.1 -2,-0.2 4,-0.1 -0.279 75.8 31.4 -74.0 169.3 124.2 17.4 19.5 45 47 A G S S- 0 0 39 17,-0.1 18,-0.6 -2,-0.1 19,-0.4 -0.274 90.5 -62.0 81.1-165.2 125.8 14.0 20.4 46 48 A V S S+ 0 0 101 1,-0.2 -2,-0.1 16,-0.1 0, 0.0 -0.925 101.5 9.8-131.8 144.0 128.5 11.9 18.7 47 49 A N S S+ 0 0 120 -2,-0.3 2,-0.5 1,-0.2 -1,-0.2 0.816 82.8 149.3 59.8 38.3 128.8 10.2 15.4 48 50 A Q + 0 0 80 -3,-0.2 14,-2.4 -5,-0.1 2,-0.4 -0.905 17.6 165.7-110.2 128.6 125.6 11.8 13.9 49 51 A R E -D 61 0A 95 -2,-0.5 2,-0.5 12,-0.2 12,-0.2 -0.964 12.1-176.4-138.7 118.5 125.2 12.6 10.2 50 52 A E E -D 60 0A 69 10,-2.3 10,-3.0 -2,-0.4 -2,-0.0 -0.967 19.1-136.0-126.8 119.1 121.7 13.4 9.0 51 53 A S E -D 59 0A 95 -2,-0.5 8,-0.2 8,-0.2 -2,-0.0 -0.275 14.0-139.7 -54.5 150.3 120.6 14.1 5.4 52 54 A I > - 0 0 7 6,-1.2 3,-1.8 3,-0.4 6,-0.3 -0.960 4.3-155.2-118.9 108.9 118.2 17.0 4.8 53 55 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 577,-0.1 0.851 94.2 47.7 -54.7 -38.5 115.5 16.1 2.2 54 56 A S T 3 S+ 0 0 4 1,-0.2 238,-0.1 157,-0.2 234,-0.1 0.405 115.0 46.9 -83.6 2.3 114.9 19.8 1.2 55 57 A M S X S- 0 0 0 -3,-1.8 3,-2.1 3,-0.2 -3,-0.4 -0.631 86.5-154.8-139.3 75.4 118.7 20.5 0.8 56 58 A P T 3 S+ 0 0 18 0, 0.0 3,-0.1 0, 0.0 235,-0.0 -0.322 79.2 20.1 -59.9 133.5 120.1 17.5 -1.2 57 59 A G T 3 S+ 0 0 71 1,-0.3 2,-0.4 -5,-0.1 -6,-0.0 0.333 100.2 110.9 87.2 -5.8 123.8 16.9 -0.5 58 60 A V < - 0 0 18 -3,-2.1 -6,-1.2 -6,-0.3 2,-0.4 -0.891 48.7-165.1-104.2 135.8 123.7 18.9 2.8 59 61 A E E - D 0 51A 76 -2,-0.4 -18,-0.5 -8,-0.2 2,-0.3 -0.936 22.2-131.2-121.6 140.1 124.2 17.1 6.1 60 62 A R E -cD 41 50A 50 -10,-3.0 -10,-2.3 -2,-0.4 2,-0.4 -0.692 38.0-160.5 -76.3 139.6 123.6 17.9 9.8 61 63 A L E -cD 42 49A 8 -20,-2.5 -18,-2.3 -2,-0.3 -12,-0.2 -0.989 18.3-129.6-133.6 135.8 126.7 16.9 11.6 62 64 A S E > -c 43 0A 0 -14,-2.4 4,-2.6 -2,-0.4 3,-0.2 -0.325 43.8 -99.6 -70.1 166.3 127.6 16.2 15.2 63 65 A I H > S+ 0 0 21 -18,-0.6 4,-2.5 -20,-0.6 5,-0.2 0.878 123.1 52.0 -62.4 -39.7 130.8 18.1 16.5 64 66 A D H > S+ 0 0 44 -19,-0.4 4,-1.2 2,-0.2 -1,-0.2 0.902 113.5 44.5 -60.6 -41.1 133.1 15.2 16.0 65 67 A Q H > S+ 0 0 25 1,-0.2 4,-2.4 -3,-0.2 -2,-0.2 0.886 110.6 54.9 -71.7 -38.7 131.9 14.7 12.4 66 68 A L H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.901 104.1 54.8 -58.0 -43.7 132.2 18.5 11.8 67 69 A L H X S+ 0 0 40 -4,-2.5 4,-0.5 1,-0.2 -1,-0.2 0.855 110.4 46.4 -62.0 -33.9 135.8 18.5 13.0 68 70 A I H >X S+ 0 0 88 -4,-1.2 3,-1.0 1,-0.2 4,-0.6 0.920 112.1 48.1 -72.8 -46.9 136.7 15.8 10.4 69 71 A E H >X S+ 0 0 44 -4,-2.4 4,-1.6 1,-0.2 3,-0.8 0.833 104.3 63.8 -59.6 -32.0 134.8 17.5 7.5 70 72 A A H 3X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.3 -1,-0.2 0.690 85.8 72.3 -70.4 -23.2 136.6 20.8 8.5 71 73 A E H S+ 0 0 16 -4,-1.6 5,-1.9 1,-0.2 4,-0.3 0.938 112.7 42.2 -54.2 -44.3 137.2 22.8 4.2 74 76 A V H ><5S+ 0 0 61 -4,-2.6 3,-1.4 2,-0.2 -1,-0.2 0.895 111.4 54.0 -67.3 -43.8 140.4 24.3 5.5 75 77 A A H 3<5S+ 0 0 59 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.858 106.4 53.6 -59.8 -36.4 142.6 22.4 3.0 76 78 A L T 3<5S- 0 0 9 -4,-3.0 -1,-0.3 -5,-0.1 -2,-0.2 0.594 119.5-115.8 -71.5 -11.5 140.4 23.9 0.2 77 79 A G T < 5 + 0 0 36 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.574 52.4 165.6 86.0 11.5 141.1 27.4 1.7 78 80 A I < - 0 0 4 -5,-1.9 -1,-0.2 1,-0.2 43,-0.1 -0.471 28.2-149.4 -62.6 121.8 137.6 28.3 2.8 79 81 A P + 0 0 53 0, 0.0 42,-3.1 0, 0.0 2,-0.3 0.823 62.8 4.9 -67.2 -36.2 138.0 31.3 5.2 80 82 A A E -be 37 121A 12 -44,-0.9 -42,-2.3 40,-0.2 2,-0.4 -0.988 51.3-142.6-152.8 155.4 135.1 30.8 7.5 81 83 A L E -be 38 122A 0 40,-2.7 42,-2.5 -2,-0.3 2,-0.6 -0.922 14.1-146.6-113.9 145.2 132.1 28.7 8.7 82 84 A A E -be 39 123A 3 -44,-1.8 -42,-2.4 -2,-0.4 2,-0.4 -0.976 23.2-144.3-107.7 117.3 128.8 30.0 9.9 83 85 A L E -b 40 0A 3 40,-2.3 42,-0.4 -2,-0.6 -42,-0.2 -0.667 19.5-178.2 -88.7 132.3 127.5 27.7 12.6 84 86 A F E -b 41 0A 3 -44,-2.6 -42,-2.3 -2,-0.4 2,-0.1 -0.938 20.5-144.8-127.0 104.3 123.7 26.9 12.9 85 87 A P E -b 42 0A 9 0, 0.0 2,-1.0 0, 0.0 -42,-0.2 -0.401 8.5-136.2 -72.4 145.6 123.0 24.6 15.9 86 88 A V - 0 0 12 -44,-3.6 -42,-0.4 -2,-0.1 131,-0.1 -0.796 30.1-145.0 -99.6 91.9 120.2 22.1 15.6 87 89 A T - 0 0 11 -2,-1.0 5,-0.1 129,-0.4 -44,-0.0 -0.291 14.9-114.5 -64.7 129.5 118.6 22.6 19.1 88 90 A P > - 0 0 21 0, 0.0 3,-1.8 0, 0.0 4,-0.3 -0.380 25.7-120.1 -57.5 140.6 117.1 19.5 20.7 89 91 A V G > S+ 0 0 116 1,-0.3 3,-1.4 2,-0.2 -2,-0.1 0.848 112.2 58.4 -45.6 -41.9 113.3 19.8 21.1 90 92 A E G 3 S+ 0 0 155 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.680 99.8 58.9 -69.2 -18.1 113.5 19.5 24.9 91 93 A K G < S+ 0 0 77 -3,-1.8 7,-0.4 2,-0.1 2,-0.3 0.427 80.1 104.7 -92.4 2.0 115.8 22.6 25.0 92 94 A K < + 0 0 18 -3,-1.4 40,-0.3 -4,-0.3 2,-0.3 -0.638 48.2 163.2 -82.1 142.1 113.4 25.0 23.4 93 95 A S B -k 132 0B 30 38,-2.9 40,-1.1 -2,-0.3 41,-0.3 -0.880 52.8-104.9-148.0 173.9 111.7 27.4 25.8 94 96 A L S S+ 0 0 122 -2,-0.3 46,-0.3 38,-0.2 -1,-0.1 0.918 121.4 41.6 -67.2 -42.7 109.8 30.6 26.2 95 97 A D S S- 0 0 89 44,-0.1 -1,-0.2 -3,-0.1 37,-0.1 0.432 98.5-135.3 -89.3 -7.0 112.8 32.5 27.5 96 98 A A > + 0 0 0 35,-0.3 3,-2.3 1,-0.1 4,-0.3 0.763 43.1 161.4 60.7 29.5 115.3 30.9 25.0 97 99 A A G > + 0 0 32 1,-0.3 3,-1.1 2,-0.2 4,-0.2 0.730 63.9 69.7 -56.1 -27.6 117.9 30.4 27.9 98 100 A E G > S+ 0 0 22 -7,-0.4 3,-1.2 1,-0.2 -1,-0.3 0.755 81.1 77.1 -62.4 -23.8 119.8 27.8 25.8 99 101 A A G < S+ 0 0 0 -3,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.893 105.9 31.3 -52.5 -42.2 120.9 30.7 23.5 100 102 A Y G < S+ 0 0 47 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.206 84.7 131.3-108.8 17.7 123.5 31.6 26.1 101 103 A N X - 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0 0 67 0, 0.0 -22,-2.1 0, 0.0 2,-0.4 -0.457 62.3-160.6 -57.4 115.5 132.5 45.2 3.7 278 280 A T E -i 255 0A 0 -2,-0.3 39,-3.3 37,-0.2 40,-1.5 -0.888 12.6-171.5-115.8 134.1 129.4 43.8 2.1 279 281 A F E -ij 256 318A 28 -24,-3.2 -22,-2.3 -2,-0.4 2,-0.3 -0.843 4.4-164.3-124.8 154.9 128.0 40.2 2.6 280 282 A V E -ij 257 319A 0 38,-1.6 40,-2.5 -2,-0.3 2,-0.6 -0.997 13.7-139.1-141.1 138.5 125.2 38.2 1.0 281 283 A Y E - j 0 320A 0 -24,-1.9 2,-1.2 -2,-0.3 -21,-0.3 -0.912 2.8-156.6 -98.9 119.6 123.5 35.0 2.0 282 284 A Q E - j 0 321A 0 38,-2.8 40,-0.6 -2,-0.6 41,-0.1 -0.792 39.3-142.9 -86.9 96.2 122.6 32.5 -0.8 283 285 A V >> - 0 0 0 -2,-1.2 4,-2.5 38,-0.1 3,-0.8 0.011 18.5 -97.1 -74.4 167.5 119.9 31.0 1.3 284 286 A S H 3> S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.830 122.7 52.1 -46.4 -42.8 118.7 27.5 1.6 285 287 A G H 3> S+ 0 0 0 -77,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.835 109.3 50.8 -66.6 -33.6 115.8 27.9 -0.9 286 288 A E H <> S+ 0 0 0 -3,-0.8 4,-1.8 -78,-0.3 -2,-0.2 0.916 113.6 45.3 -63.9 -44.4 118.3 29.3 -3.5 287 289 A Y H X S+ 0 0 3 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.953 113.8 48.5 -64.2 -52.2 120.5 26.3 -2.9 288 290 A A H X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 5,-0.3 0.902 109.7 52.8 -56.0 -44.2 117.6 23.8 -3.0 289 291 A M H X S+ 0 0 1 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.915 113.5 41.2 -65.5 -39.3 116.3 25.2 -6.2 290 292 A H H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.915 117.0 49.1 -66.9 -45.4 119.6 25.0 -8.1 291 293 A M H X S+ 0 0 14 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.873 110.4 50.3 -64.7 -39.5 120.4 21.6 -6.7 292 294 A G H X S+ 0 0 4 -4,-2.9 4,-1.6 -5,-0.2 6,-0.2 0.924 112.8 46.1 -63.8 -45.6 117.0 20.2 -7.5 293 295 A A H <>S+ 0 0 2 -4,-1.7 5,-2.3 -5,-0.3 6,-1.0 0.924 113.9 48.9 -64.6 -39.7 117.2 21.5 -11.1 294 296 A I H ><5S+ 0 0 34 -4,-2.7 3,-1.3 1,-0.2 -2,-0.2 0.939 111.8 48.5 -63.9 -47.8 120.8 20.1 -11.5 295 297 A Q H 3<5S+ 0 0 122 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.796 109.3 54.0 -61.6 -30.2 119.8 16.6 -10.1 296 298 A N T 3<5S- 0 0 75 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.535 114.8-117.2 -77.9 -7.8 116.8 16.6 -12.5 297 299 A G T < 5S+ 0 0 61 -3,-1.3 -3,-0.2 -4,-0.4 -2,-0.1 0.617 85.0 116.8 73.6 16.6 119.1 17.2 -15.5 298 300 A W S - 0 0 55 242,-0.5 3,-2.2 -2,-0.3 4,-0.2 -0.443 32.0-111.8 -74.1 150.4 124.1 22.3 -16.1 301 303 A E T > S+ 0 0 105 1,-0.3 3,-2.7 2,-0.2 4,-0.3 0.832 110.4 80.4 -47.2 -35.5 126.4 22.2 -12.9 302 304 A S T 3> S+ 0 0 65 1,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.615 71.1 76.5 -55.0 -18.6 127.8 25.5 -14.3 303 305 A V H <> S+ 0 0 0 -3,-2.2 4,-3.3 1,-0.2 -1,-0.3 0.803 85.3 67.3 -60.9 -25.6 124.8 27.5 -12.9 304 306 A I H <> S+ 0 0 0 -3,-2.7 4,-1.4 -4,-0.2 -1,-0.2 0.969 106.3 35.5 -60.5 -55.4 126.5 27.1 -9.5 305 307 A L H > S+ 0 0 49 -4,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.815 116.1 56.9 -70.8 -30.1 129.5 29.3 -10.4 306 308 A E H X S+ 0 0 15 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.925 107.7 47.9 -59.6 -46.8 127.2 31.6 -12.5 307 309 A S H X S+ 0 0 0 -4,-3.3 4,-0.8 1,-0.2 -2,-0.2 0.847 115.3 45.8 -63.8 -30.5 125.0 32.1 -9.4 308 310 A L H X S+ 0 0 0 -4,-1.4 4,-1.2 -5,-0.2 3,-0.3 0.856 106.7 55.6 -85.1 -34.6 128.1 32.9 -7.3 309 311 A T H X S+ 0 0 26 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.846 99.5 64.5 -60.7 -37.4 129.7 35.2 -9.9 310 312 A A H X S+ 0 0 0 -4,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.882 98.7 53.5 -51.7 -43.7 126.5 37.3 -9.8 311 313 A F H X>S+ 0 0 0 -4,-0.8 5,-2.6 -3,-0.3 4,-0.8 0.915 110.4 45.6 -63.3 -44.2 127.2 38.1 -6.1 312 314 A K H ><5S+ 0 0 33 -4,-1.2 3,-0.9 3,-0.2 -2,-0.2 0.938 114.2 48.3 -57.3 -54.0 130.7 39.4 -6.9 313 315 A R H 3<5S+ 0 0 2 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.862 108.5 55.2 -53.0 -41.5 129.4 41.4 -9.9 314 316 A A H 3<5S- 0 0 0 -4,-2.6 -1,-0.2 -5,-0.2 -43,-0.2 0.694 128.1 -94.0 -70.7 -18.0 126.5 42.9 -7.7 315 317 A G T <<5S+ 0 0 10 -3,-0.9 -37,-0.2 -4,-0.8 -3,-0.2 0.440 73.2 144.0 120.2 3.2 129.0 44.1 -5.2 316 318 A A < - 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0 0 107 -2,-0.2 0, 0.0 1,-0.1 0, 0.0 -0.971 21.9-153.8-124.4 116.4 121.3 61.0 3.1 338 5 B P > - 0 0 60 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.756 24.7-147.6 -63.1 -22.7 121.0 59.0 6.3 339 6 B A T 3 - 0 0 71 1,-0.2 -2,-0.0 -3,-0.0 0, 0.0 0.717 53.1 -77.2 60.0 23.3 119.7 62.2 8.0 340 7 B N T 3 S+ 0 0 163 1,-0.2 -1,-0.2 0, 0.0 2,-0.2 0.730 73.2 175.4 64.1 22.4 121.3 61.1 11.4 341 8 B R < + 0 0 104 -3,-1.2 2,-0.4 4,-0.1 -1,-0.2 -0.450 7.1 176.0 -62.9 130.0 118.6 58.6 12.0 342 9 B A >> - 0 0 50 -2,-0.2 4,-2.2 -93,-0.0 3,-0.8 -0.999 26.9 -79.5-146.3 132.9 119.5 56.7 15.3 343 10 B Y T 34 S+ 0 0 67 -2,-0.4 4,-0.1 1,-0.3 -165,-0.0 -0.410 107.1 24.4 -60.2 143.7 118.0 54.0 17.5 344 11 B P T 34 S+ 0 0 54 0, 0.0 -1,-0.3 0, 0.0 -167,-0.0 -0.987 125.6 48.6 -87.9 -0.8 115.8 54.3 19.6 345 12 B Y T <4 S+ 0 0 200 -3,-0.8 2,-0.6 1,-0.2 -2,-0.2 0.939 119.7 47.1 -60.8 -45.9 114.4 57.6 18.1 346 13 B T < + 0 0 29 -4,-2.2 2,-0.4 4,-0.0 -1,-0.2 -0.888 67.8 167.7 -94.0 118.4 114.4 55.6 14.8 347 14 B R > - 0 0 59 -2,-0.6 3,-2.0 -4,-0.1 4,-0.4 -0.937 19.9-162.0-126.6 104.1 112.9 52.1 15.1 348 15 B L T 3> S+ 0 0 18 -2,-0.4 4,-0.5 1,-0.3 3,-0.3 0.648 84.6 70.1 -66.6 -8.8 112.4 50.8 11.6 349 16 B R H 3> S+ 0 0 2 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.627 76.5 79.8 -81.5 -13.0 110.1 48.1 13.0 350 17 B R H X4 S+ 0 0 128 -3,-2.0 3,-1.4 1,-0.2 4,-0.4 0.946 96.0 45.2 -59.3 -47.9 107.3 50.7 13.9 351 18 B N H 34 S+ 0 0 81 -4,-0.4 3,-0.5 -3,-0.3 -1,-0.2 0.803 112.1 53.5 -64.5 -27.7 106.1 50.8 10.2 352 19 B R H 3< S+ 0 0 7 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.551 85.3 90.9 -78.6 -7.6 106.4 47.0 10.2 353 20 B R S << S+ 0 0 80 -3,-1.4 2,-0.3 -4,-0.6 -1,-0.2 0.843 93.5 21.9 -61.0 -35.8 104.1 46.7 13.3 354 21 B D S > S- 0 0 70 -3,-0.5 4,-1.9 -4,-0.4 3,-0.3 -0.939 73.5-119.6-137.2 147.9 100.8 46.5 11.4 355 22 B D H > S+ 0 0 86 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.865 110.9 58.6 -48.2 -43.7 99.6 45.5 8.0 356 23 B F H > S+ 0 0 123 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.915 109.3 41.1 -65.9 -41.0 98.1 49.0 7.4 357 24 B S H > S+ 0 0 11 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.829 112.8 54.8 -74.6 -29.7 101.4 50.8 7.9 358 25 B R H X S+ 0 0 43 -4,-1.9 4,-0.9 2,-0.2 -2,-0.2 0.873 110.4 47.4 -65.9 -35.7 103.4 48.2 5.9 359 26 B R H < S+ 0 0 154 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.875 110.1 52.8 -71.2 -41.3 100.9 48.7 3.0 360 27 B L H < S+ 0 0 134 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.889 118.1 34.1 -61.6 -42.0 101.2 52.5 3.2 361 28 B V H < S+ 0 0 61 -4,-1.8 -1,-0.2 -10,-0.2 -2,-0.2 0.562 83.5 132.7 -92.4 -8.8 105.0 52.5 3.0 362 29 B R < - 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0 0 9 -2,-2.2 3,-0.4 1,-0.1 18,-0.1 -0.543 49.4-148.9 -98.3 154.2 124.1 32.0 -19.4 542 209 B A S > S+ 0 0 19 -2,-0.2 3,-0.9 1,-0.2 -242,-0.5 0.409 90.7 82.3 -85.0 -3.7 123.6 28.4 -18.2 543 210 B Y T 3 S+ 0 0 0 1,-0.2 74,-1.8 2,-0.1 75,-0.2 0.515 71.5 73.1 -83.0 -5.4 120.0 29.2 -17.4 544 211 B Y T 3> + 0 0 0 -3,-0.4 4,-1.8 1,-0.2 3,-0.4 0.409 63.5 107.7 -85.4 2.2 118.6 28.8 -20.9 545 212 B G H <> S+ 0 0 25 -3,-0.9 4,-1.4 1,-0.2 3,-0.5 0.908 78.2 45.8 -49.7 -57.0 118.8 25.0 -20.8 546 213 B P H > S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.821 109.6 55.4 -56.1 -36.9 115.1 24.3 -20.5 547 214 B F H > S+ 0 0 2 -3,-0.4 4,-2.8 2,-0.2 5,-0.3 0.858 102.5 56.7 -62.3 -40.0 114.2 26.8 -23.2 548 215 B R H X>S+ 0 0 56 -4,-1.8 6,-1.6 -3,-0.5 5,-1.2 0.888 110.5 43.9 -61.5 -38.3 116.5 25.0 -25.6 549 216 B D H <5S+ 0 0 64 -4,-1.4 3,-0.4 3,-0.2 -2,-0.2 0.949 112.3 54.9 -65.6 -49.6 114.5 21.8 -24.9 550 217 B A H <5S+ 0 0 0 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.923 117.2 32.8 -46.8 -54.3 111.2 23.8 -25.3 551 218 B V H <5S- 0 0 3 -4,-2.8 -129,-0.4 -5,-0.1 -1,-0.2 0.590 107.7-119.4 -85.4 -12.6 112.0 25.2 -28.7 552 219 B G T <5S+ 0 0 38 -4,-1.1 3,-0.4 -3,-0.4 -3,-0.2 0.714 79.5 120.2 80.4 22.2 114.0 22.2 -30.0 553 220 B S < + 0 0 9 -5,-1.2 -4,-0.2 -6,-0.3 -5,-0.1 0.592 31.8 111.8 -89.1 -10.8 117.2 24.1 -30.6 554 221 B A 0 0 65 -6,-1.6 -1,-0.2 -7,-0.1 -5,-0.1 0.558 360.0 360.0 -52.7 -8.0 119.2 21.9 -28.1 555 222 B S 0 0 121 -3,-0.4 -85,-0.2 -7,-0.2 -1,-0.0 -0.998 360.0 360.0-136.3 360.0 121.0 20.5 -31.2 556 ! 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 0.0 557 227 B G 0 0 116 0, 0.0 2,-0.3 0, 0.0 -87,-0.0 0.000 360.0 360.0 360.0 127.7 128.0 24.5 -28.5 558 228 B N - 0 0 110 1,-0.0 3,-0.2 -18,-0.0 -87,-0.0 -0.883 360.0-144.9-134.8 168.3 128.2 28.0 -26.8 559 229 B K >> + 0 0 13 -2,-0.3 4,-2.3 1,-0.1 3,-1.9 0.030 53.7 125.0-123.6 27.4 127.6 31.6 -27.4 560 230 B A T 34 + 0 0 22 1,-0.3 -1,-0.1 2,-0.2 5,-0.1 0.577 68.7 66.1 -67.2 -11.5 130.4 33.5 -25.6 561 231 B T T 34 S+ 0 0 25 -3,-0.2 -1,-0.3 -543,-0.1 -544,-0.2 0.499 123.2 12.1 -83.3 -7.0 131.5 35.4 -28.8 562 232 B Y T <4 S+ 0 0 0 -3,-1.9 -2,-0.2 1,-0.2 -24,-0.2 0.562 112.8 72.1-135.1 -46.1 128.1 37.2 -28.8 563 233 B Q S < S- 0 0 2 -4,-2.3 -24,-0.2 1,-0.1 -1,-0.2 -0.476 92.3 -91.7 -69.2 149.2 126.2 36.8 -25.6 564 234 B M B -z 539 0H 0 -26,-3.0 -24,-4.2 -2,-0.1 -1,-0.1 -0.257 31.1-108.8 -67.0 142.1 127.7 38.7 -22.5 565 235 B D > - 0 0 26 -26,-0.2 3,-2.1 1,-0.1 -1,-0.1 -0.624 27.3-133.7 -66.5 122.1 130.1 37.4 -20.0 566 236 B P T 3 S+ 0 0 23 0, 0.0 -1,-0.1 0, 0.0 -253,-0.1 0.712 102.5 62.4 -47.6 -28.8 128.1 36.9 -16.7 567 237 B A T 3 S+ 0 0 2 -538,-0.1 2,-0.4 -255,-0.0 -2,-0.0 0.688 85.9 93.8 -75.1 -17.7 130.9 38.7 -14.8 568 238 B N < + 0 0 3 -3,-2.1 -541,-0.1 1,-0.2 4,-0.1 -0.665 31.0 151.5 -94.7 128.3 130.5 42.0 -16.6 569 239 B S S >> S+ 0 0 3 -2,-0.4 3,-1.3 2,-0.1 4,-0.8 0.802 74.6 53.0-114.2 -53.5 128.3 44.9 -15.4 570 240 B D H >> S+ 0 0 85 1,-0.3 3,-1.0 2,-0.2 4,-1.0 0.887 104.5 62.7 -53.4 -43.5 129.8 48.1 -16.7 571 241 B E H 3> S+ 0 0 23 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.794 92.7 61.8 -48.0 -38.8 129.6 46.5 -20.1 572 242 B A H <> S+ 0 0 0 -3,-1.3 4,-2.4 1,-0.2 -1,-0.2 0.832 98.1 57.8 -64.3 -31.3 125.8 46.3 -19.9 573 243 B L H S+ 0 0 4 -4,-1.8 5,-2.7 2,-0.2 4,-0.5 0.896 111.7 48.4 -69.2 -38.0 120.6 50.2 -28.4 580 250 B L H ><5S+ 0 0 50 -4,-2.9 3,-1.5 3,-0.2 -1,-0.2 0.957 113.1 47.2 -61.3 -51.1 118.9 53.4 -27.2 581 251 B A H 3<5S+ 0 0 88 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.865 109.4 56.1 -56.0 -37.4 120.9 55.5 -29.7 582 252 B E T 3<5S- 0 0 37 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.535 128.6 -96.4 -78.5 -8.2 120.0 53.0 -32.4 583 253 B G T < 5 + 0 0 25 -3,-1.5 -51,-0.2 -4,-0.5 -3,-0.2 0.515 61.3 162.8 112.1 8.5 116.3 53.5 -31.7 584 254 B A < - 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0 0 65 0, 0.0 -22,-2.6 0, 0.0 2,-0.4 -0.459 61.4-162.7 -62.2 116.2 111.4 51.4 -20.5 610 280 B T E -v 587 0E 0 -2,-0.3 39,-3.2 37,-0.2 40,-1.6 -0.898 11.6-175.6-116.4 130.2 113.2 48.5 -18.9 611 281 B F E -vw 588 650E 28 -24,-2.8 -22,-2.3 -2,-0.4 2,-0.4 -0.828 5.6-164.4-126.6 155.1 112.3 44.8 -19.3 612 282 B V E -vw 589 651E 0 38,-1.5 40,-3.0 -2,-0.3 2,-0.6 -0.997 13.9-138.6-144.0 140.8 113.7 41.7 -17.8 613 283 B Y E - w 0 652E 0 -24,-1.9 2,-0.9 -2,-0.4 -21,-0.2 -0.924 2.8-155.6-106.2 118.3 113.3 38.0 -18.8 614 284 B Q E - w 0 653E 0 38,-3.0 40,-0.6 -2,-0.6 41,-0.1 -0.827 38.8-142.6 -86.6 103.7 112.8 35.5 -16.0 615 285 B V > - 0 0 0 -2,-0.9 4,-2.4 38,-0.1 3,-0.5 -0.048 19.5 -96.3 -83.7 169.3 114.2 32.7 -18.1 616 286 B S H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.858 123.3 54.1 -46.7 -44.7 113.3 29.0 -18.4 617 287 B G H > S+ 0 0 0 -74,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.891 108.8 48.1 -62.5 -40.1 116.0 28.0 -15.9 618 288 B E H > S+ 0 0 0 -3,-0.5 4,-2.1 -75,-0.2 -1,-0.2 0.909 112.9 49.5 -59.6 -45.6 114.6 30.4 -13.3 619 289 B Y H X S+ 0 0 8 -4,-2.4 4,-3.1 1,-0.2 -2,-0.2 0.935 112.9 45.5 -60.2 -47.3 111.1 29.1 -13.9 620 290 B A H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.843 110.4 53.2 -70.0 -37.0 112.1 25.4 -13.6 621 291 B M H X S+ 0 0 1 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.952 116.4 39.0 -62.8 -51.9 114.2 25.9 -10.5 622 292 B H H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.940 117.9 48.4 -60.3 -52.3 111.3 27.6 -8.7 623 293 B M H X S+ 0 0 14 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.878 112.1 49.9 -56.9 -46.7 108.7 25.2 -10.1 624 294 B G H X S+ 0 0 6 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.913 111.7 47.2 -57.5 -48.1 110.8 22.1 -9.2 625 295 B A H <>S+ 0 0 2 -4,-2.1 5,-2.3 -5,-0.2 6,-1.2 0.882 112.7 49.7 -65.8 -36.7 111.3 23.3 -5.6 626 296 B I H ><5S+ 0 0 30 -4,-2.3 3,-1.7 4,-0.2 -2,-0.2 0.963 112.8 45.5 -66.2 -53.2 107.6 24.1 -5.2 627 297 B Q H 3<5S+ 0 0 132 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.841 109.4 56.4 -57.7 -38.2 106.4 20.8 -6.5 628 298 B N T 3<5S- 0 0 71 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.480 115.9-117.5 -68.0 -6.1 109.0 19.0 -4.4 629 299 B G T < 5S+ 0 0 61 -3,-1.7 -3,-0.2 2,-0.2 -2,-0.1 0.580 85.1 115.3 72.9 16.1 107.5 20.7 -1.3 630 300 B W S - 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