==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SYNTHASE 09-AUG-04 1W5P . COMPND 2 MOLECULE: DELTA-AMINOLEVULINIC ACID DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR F.FRERE,H.REENTS,W.-D.SCHUBERT,D.W.HEINZ,D.JAHN . 642 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24177.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 464 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 91 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 1.9 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 . 34 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 211 32.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.9 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 2 0 2 2 1 1 0 4 8 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 6 3 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 6 A A 0 0 118 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 92.1 131.9 58.5 -25.2 2 7 A N + 0 0 175 1,-0.2 2,-0.4 0, 0.0 556,-0.0 0.821 360.0 169.7 59.9 32.3 130.2 58.8 -28.6 3 8 A R + 0 0 113 4,-0.1 2,-0.4 3,-0.0 -1,-0.2 -0.635 6.4 171.8 -77.9 125.6 130.9 55.2 -29.3 4 9 A A >> - 0 0 54 -2,-0.4 4,-2.4 -3,-0.1 3,-0.9 -0.998 29.2 -75.1-142.2 141.6 129.1 54.1 -32.4 5 10 A Y T 34 S+ 0 0 69 -2,-0.4 4,-0.1 1,-0.3 493,-0.0 -0.459 107.6 21.0 -64.4 142.9 128.9 51.1 -34.7 6 11 A P T 34 S+ 0 0 62 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 -0.987 125.4 50.1 -94.3 4.6 130.8 50.2 -36.8 7 12 A Y T <4 S+ 0 0 204 -3,-0.9 2,-0.6 1,-0.2 -2,-0.2 0.937 121.0 43.4 -58.2 -46.6 133.8 52.1 -35.3 8 13 A T < + 0 0 31 -4,-2.4 2,-0.5 4,-0.0 -1,-0.2 -0.922 68.6 170.1-100.2 117.2 132.8 50.4 -32.1 9 14 A R > - 0 0 62 -2,-0.6 3,-1.9 -4,-0.1 4,-0.4 -0.965 19.9-160.1-120.1 108.6 131.9 46.8 -32.3 10 15 A L T 3> S+ 0 0 23 -2,-0.5 4,-0.6 1,-0.3 3,-0.3 0.679 85.0 72.6 -65.9 -14.6 131.6 45.3 -28.8 11 16 A R H 3> S+ 0 0 4 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.661 77.5 78.7 -68.9 -15.1 132.0 41.8 -30.2 12 17 A R H X4 S+ 0 0 130 -3,-1.9 3,-1.7 1,-0.2 4,-0.4 0.958 94.4 44.7 -65.0 -48.3 135.8 42.4 -30.9 13 18 A N H 34 S+ 0 0 85 -4,-0.4 3,-0.3 -3,-0.3 -1,-0.2 0.760 113.6 53.9 -63.4 -23.8 136.8 41.9 -27.3 14 19 A R H 3< S+ 0 0 6 -4,-0.6 -1,-0.3 527,-0.2 -2,-0.2 0.516 84.4 89.0 -79.3 -8.5 134.5 38.8 -27.2 15 20 A R S << S+ 0 0 95 -3,-1.7 2,-0.3 -4,-0.5 -1,-0.2 0.840 93.4 26.9 -66.3 -34.7 136.2 37.3 -30.3 16 21 A D S > S- 0 0 70 -4,-0.4 4,-2.2 -3,-0.3 3,-0.5 -0.947 73.4-123.4-130.9 148.9 138.9 35.3 -28.5 17 22 A D H > S+ 0 0 89 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.878 110.1 58.9 -52.7 -42.2 139.3 33.8 -25.0 18 23 A F H > S+ 0 0 122 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.891 109.4 41.5 -62.1 -39.7 142.5 35.8 -24.4 19 24 A S H > S+ 0 0 11 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.858 111.7 54.9 -77.4 -34.3 140.7 39.2 -24.9 20 25 A R H X S+ 0 0 39 -4,-2.2 4,-0.8 1,-0.2 -2,-0.2 0.909 110.2 49.0 -63.1 -39.4 137.7 38.1 -22.9 21 26 A R H < S+ 0 0 164 -4,-2.7 3,-0.4 -5,-0.2 -2,-0.2 0.899 109.3 51.3 -63.5 -42.8 140.1 37.3 -20.1 22 27 A L H < S+ 0 0 136 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.852 117.6 37.5 -64.7 -36.1 141.9 40.6 -20.3 23 28 A V H < S+ 0 0 58 -4,-2.0 -1,-0.2 -10,-0.2 -2,-0.2 0.444 81.2 130.1 -94.9 -2.4 138.6 42.6 -20.1 24 29 A R < - 0 0 101 -4,-0.8 524,-0.1 -3,-0.4 3,-0.0 -0.342 44.8-157.9 -59.8 124.8 136.8 40.4 -17.6 25 30 A E + 0 0 64 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.697 64.7 28.3 -84.4 -22.1 135.5 42.8 -14.9 26 31 A N - 0 0 46 2,-0.0 2,-0.3 523,-0.0 -1,-0.1 -0.982 58.0-164.9-142.9 150.5 135.1 40.4 -11.9 27 32 A V - 0 0 93 -2,-0.3 2,-0.4 274,-0.1 0, 0.0 -0.977 14.9-139.4-134.2 144.3 136.6 37.2 -10.6 28 33 A L + 0 0 13 -2,-0.3 2,-0.3 273,-0.0 270,-0.1 -0.901 28.3 174.3 -97.0 136.4 135.4 34.7 -7.9 29 34 A T > - 0 0 51 -2,-0.4 3,-1.9 1,-0.0 4,-0.1 -0.896 47.0-106.5-131.8 166.2 138.1 33.3 -5.6 30 35 A V G > S+ 0 0 33 -2,-0.3 3,-1.3 1,-0.3 287,-0.1 0.727 114.7 72.6 -65.9 -19.5 138.1 31.0 -2.6 31 36 A D G 3 S+ 0 0 126 1,-0.2 -1,-0.3 44,-0.1 43,-0.0 0.609 93.4 57.8 -65.1 -11.8 138.8 34.1 -0.5 32 37 A D G < S+ 0 0 15 -3,-1.9 276,-2.9 275,-0.1 2,-0.4 0.446 88.7 98.3 -94.9 -4.2 135.2 35.1 -1.2 33 38 A L E < -a 308 0A 0 -3,-1.3 44,-0.7 274,-0.2 2,-0.4 -0.746 42.3-179.3-103.2 134.8 133.5 32.0 0.3 34 39 A I E -ab 309 77A 10 274,-2.6 276,-2.6 -2,-0.4 44,-0.2 -0.998 20.6-145.1-124.2 130.0 131.9 31.4 3.6 35 40 A L E - b 0 78A 9 42,-2.2 44,-2.2 -2,-0.4 2,-0.3 -0.839 7.7-151.7-100.6 112.6 130.5 27.9 4.3 36 41 A P E - b 0 79A 5 0, 0.0 2,-0.4 0, 0.0 44,-0.2 -0.644 18.6-172.5 -79.5 145.0 127.3 27.7 6.4 37 42 A V E - b 0 80A 13 42,-2.3 44,-2.4 -2,-0.3 2,-0.4 -0.990 22.5-134.6-147.2 132.3 127.0 24.4 8.4 38 43 A F E - b 0 81A 0 18,-0.4 20,-2.5 -2,-0.4 2,-0.5 -0.714 25.5-153.8 -87.1 128.6 124.2 22.9 10.5 39 44 A V E -cb 58 82A 0 42,-2.2 44,-2.7 -2,-0.4 20,-0.2 -0.922 5.9-159.5-118.2 125.4 125.5 21.5 13.7 40 45 A L E -c 59 0A 10 18,-2.0 20,-0.6 -2,-0.5 2,-0.1 -0.564 19.9-116.4 -95.8 158.8 123.8 18.7 15.7 41 46 A D S S+ 0 0 57 42,-0.4 -1,-0.1 -2,-0.2 2,-0.1 -0.361 76.1 38.4 -78.5 168.5 124.2 17.6 19.3 42 47 A G S S- 0 0 38 -2,-0.1 18,-0.5 17,-0.1 19,-0.4 -0.315 88.5 -66.7 90.7-168.9 125.6 14.2 20.0 43 48 A V S S+ 0 0 104 1,-0.2 -2,-0.1 16,-0.1 0, 0.0 -0.963 102.2 7.2-132.3 142.9 128.4 12.1 18.6 44 49 A N S S+ 0 0 114 -2,-0.4 2,-0.4 1,-0.2 -1,-0.2 0.899 84.9 149.6 49.8 51.7 128.7 10.4 15.2 45 50 A Q + 0 0 85 -3,-0.2 14,-2.5 -5,-0.1 2,-0.3 -0.952 16.6 165.0-115.1 134.1 125.5 12.1 13.8 46 51 A R E -D 58 0A 87 -2,-0.4 2,-0.5 12,-0.2 12,-0.2 -0.943 10.7-174.1-147.7 122.7 125.1 12.9 10.1 47 52 A E E -D 57 0A 75 10,-2.1 10,-2.6 -2,-0.3 2,-0.1 -0.971 18.1-137.9-128.1 121.1 121.7 13.8 8.7 48 53 A S E -D 56 0A 89 -2,-0.5 8,-0.2 8,-0.2 3,-0.1 -0.451 16.8-137.3 -67.1 146.9 120.8 14.4 5.0 49 54 A I > - 0 0 3 6,-1.4 3,-1.7 3,-0.4 6,-0.3 -0.948 6.7-155.9-109.1 111.8 118.4 17.3 4.4 50 55 A P T 3 S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 162,-0.0 0.865 94.0 48.3 -56.0 -38.6 115.8 16.3 1.8 51 56 A S T 3 S+ 0 0 2 1,-0.2 230,-0.1 157,-0.2 226,-0.1 0.355 114.0 48.4 -89.9 5.4 115.1 19.8 0.7 52 57 A M S X S- 0 0 0 -3,-1.7 3,-2.4 3,-0.2 -3,-0.4 -0.586 84.6-152.2-138.6 75.1 118.9 20.6 0.3 53 58 A P T 3 S+ 0 0 19 0, 0.0 3,-0.1 0, 0.0 227,-0.0 -0.202 79.7 18.4 -53.6 126.2 120.4 17.8 -1.7 54 59 A G T 3 S+ 0 0 77 1,-0.3 2,-0.4 -5,-0.1 -6,-0.0 0.273 99.3 109.1 98.1 -10.3 124.1 17.3 -0.8 55 60 A V < - 0 0 18 -3,-2.4 -6,-1.4 -6,-0.3 2,-0.4 -0.845 47.8-166.6-103.1 136.5 124.0 19.2 2.5 56 61 A E E - D 0 48A 72 -2,-0.4 -18,-0.4 -8,-0.2 2,-0.3 -0.967 22.1-130.3-124.8 139.0 124.3 17.3 5.8 57 62 A R E - D 0 47A 31 -10,-2.6 -10,-2.1 -2,-0.4 2,-0.4 -0.680 37.0-160.0 -74.2 137.0 123.7 18.3 9.4 58 63 A L E -cD 39 46A 8 -20,-2.5 -18,-2.0 -2,-0.3 -12,-0.2 -0.975 18.4-131.3-130.4 131.2 126.8 17.2 11.4 59 64 A S E > -c 40 0A 0 -14,-2.5 4,-2.8 -2,-0.4 3,-0.4 -0.312 45.4 -98.7 -66.9 166.3 127.6 16.5 15.0 60 65 A I H > S+ 0 0 23 -20,-0.6 4,-2.3 -18,-0.5 5,-0.2 0.886 122.9 53.2 -63.6 -39.7 130.7 18.3 16.3 61 66 A D H > S+ 0 0 42 -19,-0.4 4,-1.3 2,-0.2 -1,-0.3 0.906 113.3 44.8 -60.3 -37.9 133.0 15.3 15.9 62 67 A Q H > S+ 0 0 18 -3,-0.4 4,-2.7 2,-0.2 5,-0.2 0.887 109.9 55.6 -73.0 -39.2 131.9 14.9 12.2 63 68 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.904 104.9 52.6 -55.1 -44.4 132.2 18.7 11.7 64 69 A L H X S+ 0 0 40 -4,-2.3 4,-0.7 2,-0.2 -1,-0.2 0.893 110.9 48.4 -61.4 -40.3 135.8 18.6 12.8 65 70 A I H >X S+ 0 0 84 -4,-1.3 3,-1.0 1,-0.2 4,-0.6 0.945 113.7 44.2 -64.1 -50.2 136.5 15.8 10.3 66 71 A E H >X S+ 0 0 42 -4,-2.7 4,-1.6 1,-0.2 3,-0.9 0.836 104.2 65.4 -66.4 -31.2 134.8 17.5 7.4 67 72 A A H 3X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.3 5,-0.3 0.734 87.5 70.6 -66.0 -22.1 136.5 20.8 8.3 68 73 A E H S+ 0 0 17 -4,-1.6 5,-1.9 1,-0.2 4,-0.4 0.900 111.8 44.5 -58.2 -44.0 137.3 22.8 4.0 71 76 A V H ><5S+ 0 0 57 -4,-2.7 3,-1.3 1,-0.2 -1,-0.2 0.889 110.5 54.5 -65.8 -41.3 140.6 24.2 5.4 72 77 A A H 3<5S+ 0 0 64 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.831 105.6 54.1 -65.0 -29.0 142.7 22.3 2.9 73 78 A L T 3<5S- 0 0 15 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.592 117.8-115.2 -76.8 -11.9 140.6 23.9 0.2 74 79 A G T < 5 + 0 0 35 -3,-1.3 -3,-0.2 -4,-0.4 -2,-0.1 0.552 53.5 164.0 89.3 11.4 141.3 27.4 1.6 75 80 A I < - 0 0 5 -5,-1.9 -1,-0.3 1,-0.1 43,-0.1 -0.445 29.5-148.8 -61.5 124.3 137.8 28.3 2.6 76 81 A P + 0 0 54 0, 0.0 42,-2.7 0, 0.0 2,-0.3 0.803 62.4 6.3 -70.0 -30.0 138.3 31.3 5.0 77 82 A A E -be 34 118A 11 -44,-0.7 -42,-2.2 40,-0.2 2,-0.3 -0.994 52.3-142.3-154.4 154.6 135.4 30.9 7.3 78 83 A L E -be 35 119A 0 40,-2.5 42,-2.7 -2,-0.3 2,-0.5 -0.885 13.7-146.9-110.6 148.5 132.4 28.8 8.5 79 84 A A E -be 36 120A 2 -44,-2.2 -42,-2.3 -2,-0.3 2,-0.4 -0.979 23.3-143.9-114.0 119.4 129.1 30.2 9.6 80 85 A L E -be 37 121A 3 40,-2.2 42,-0.5 -2,-0.5 -42,-0.2 -0.700 19.4-177.6 -94.4 133.1 127.7 27.9 12.3 81 86 A F E -b 38 0A 6 -44,-2.4 -42,-2.2 -2,-0.4 40,-0.0 -0.908 17.5-148.9-127.3 100.3 124.0 27.2 12.7 82 87 A P E -b 39 0A 9 0, 0.0 2,-0.7 0, 0.0 -42,-0.2 -0.330 8.3-139.8 -69.3 149.8 123.1 25.0 15.7 83 88 A V - 0 0 22 -44,-2.7 -42,-0.4 -2,-0.0 130,-0.0 -0.902 26.9-146.5-107.5 98.4 120.1 22.6 15.5 84 89 A T - 0 0 9 -2,-0.7 5,-0.1 43,-0.2 -44,-0.0 -0.495 16.9-113.0 -75.7 130.3 118.7 23.0 19.0 85 90 A P > - 0 0 22 0, 0.0 3,-2.1 0, 0.0 4,-0.3 -0.397 29.0-123.3 -55.4 137.6 117.1 19.9 20.6 86 91 A V G > S+ 0 0 113 1,-0.3 3,-1.5 2,-0.2 -2,-0.1 0.829 108.6 61.4 -61.8 -33.5 113.4 20.7 20.9 87 92 A E G 3 S+ 0 0 152 1,-0.3 -1,-0.3 3,-0.0 43,-0.0 0.677 98.0 58.1 -67.8 -14.3 113.4 20.1 24.6 88 93 A K G < S+ 0 0 84 -3,-2.1 7,-0.4 41,-0.1 -1,-0.3 0.460 82.9 103.7 -95.9 -2.1 115.9 22.9 25.2 89 94 A K < + 0 0 49 -3,-1.5 2,-0.3 -4,-0.3 40,-0.2 -0.559 48.4 163.9 -77.7 145.8 113.7 25.6 23.6 90 95 A S B > -k 129 0B 32 38,-2.3 40,-0.7 -2,-0.2 3,-0.5 -0.945 52.0-100.8-152.7 170.6 112.0 28.0 26.0 91 96 A L T 3 S+ 0 0 125 -2,-0.3 46,-0.2 1,-0.2 -1,-0.1 0.875 122.2 45.3 -63.3 -38.0 110.1 31.3 26.3 92 97 A D T 3 S- 0 0 89 44,-0.1 -1,-0.2 36,-0.1 37,-0.1 0.486 97.9-138.0 -89.5 -2.1 113.2 33.0 27.7 93 98 A A X + 0 0 0 -3,-0.5 3,-2.3 35,-0.3 4,-0.3 0.747 45.8 155.5 56.5 27.2 115.6 31.5 25.0 94 99 A A G > + 0 0 28 1,-0.3 3,-1.6 2,-0.2 4,-0.2 0.790 59.9 70.0 -62.5 -26.6 118.2 30.9 27.7 95 100 A E G > S+ 0 0 26 -7,-0.4 3,-1.3 33,-0.3 -1,-0.3 0.771 82.3 77.8 -59.4 -23.6 119.9 28.1 25.8 96 101 A A G < S+ 0 0 0 -3,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.823 105.3 30.9 -52.4 -35.0 121.1 30.9 23.4 97 102 A Y G < S+ 0 0 52 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.212 83.9 131.3-115.2 14.5 123.7 31.9 26.0 98 103 A N X - 0 0 47 -3,-1.3 3,-2.1 -4,-0.2 6,-0.3 -0.538 54.4-143.8 -65.9 121.8 124.5 28.5 27.5 99 104 A P T 3 S+ 0 0 71 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.716 103.7 49.5 -60.8 -19.4 128.3 28.1 27.6 100 105 A E T 3 S+ 0 0 111 4,-0.1 -2,-0.1 5,-0.1 -5,-0.0 0.136 85.2 122.1-103.7 14.8 127.6 24.4 26.9 101 106 A G S <> S- 0 0 1 -3,-2.1 4,-2.6 -6,-0.1 5,-0.2 -0.346 78.8-102.8 -67.7 160.9 125.2 25.0 24.0 102 107 A I H > S+ 0 0 7 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.912 119.9 49.3 -50.4 -53.1 125.9 23.5 20.6 103 108 A A H > S+ 0 0 6 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.917 113.7 46.5 -60.3 -41.3 127.2 26.7 19.0 104 109 A Q H > S+ 0 0 2 -6,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.914 114.9 45.5 -67.5 -43.3 129.5 27.5 22.0 105 110 A R H X S+ 0 0 61 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.906 113.9 49.7 -66.9 -41.1 130.9 23.9 22.1 106 111 A A H X S+ 0 0 0 -4,-2.9 4,-2.8 -5,-0.2 5,-0.3 0.924 110.1 51.2 -63.3 -44.4 131.4 23.8 18.3 107 112 A T H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.3 5,-0.3 0.944 110.6 47.3 -57.2 -51.4 133.2 27.2 18.4 108 113 A R H X S+ 0 0 92 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.922 113.3 49.9 -59.9 -40.5 135.6 26.1 21.1 109 114 A A H X S+ 0 0 20 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.933 114.8 41.7 -66.6 -44.2 136.3 22.8 19.3 110 115 A L H X S+ 0 0 1 -4,-2.8 4,-3.0 1,-0.2 7,-0.2 0.876 110.9 56.0 -71.4 -37.1 137.0 24.5 15.9 111 116 A R H < S+ 0 0 66 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.876 112.6 43.5 -63.1 -36.0 139.0 27.3 17.4 112 117 A E H < S+ 0 0 167 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.919 119.9 40.5 -71.7 -44.1 141.4 24.8 19.1 113 118 A R H < S+ 0 0 122 -4,-2.0 -2,-0.2 1,-0.3 -3,-0.2 0.872 129.7 23.6 -77.4 -40.6 141.7 22.5 16.1 114 119 A F >< + 0 0 18 -4,-3.0 3,-1.8 -5,-0.2 -1,-0.3 -0.708 67.5 178.0-128.2 77.4 141.9 25.0 13.2 115 120 A P T 3 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.726 80.2 49.7 -58.8 -23.8 143.2 28.3 14.7 116 121 A E T 3 S+ 0 0 182 2,-0.1 2,-0.3 -39,-0.0 -5,-0.1 0.546 86.5 101.6 -92.2 -6.5 143.3 30.2 11.4 117 122 A L S < S- 0 0 8 -3,-1.8 2,-0.3 -7,-0.2 -40,-0.2 -0.607 74.4-123.5 -80.3 130.8 139.8 29.3 10.3 118 123 A G E -e 77 0A 14 -42,-2.7 -40,-2.5 -2,-0.3 2,-0.5 -0.566 21.4-159.7 -73.0 134.2 137.2 32.0 10.8 119 124 A I E -e 78 0A 0 -2,-0.3 47,-1.7 -42,-0.2 46,-0.7 -0.985 5.7-170.6-117.6 122.2 134.2 31.1 12.9 120 125 A I E -ef 79 166A 7 -42,-2.7 -40,-2.2 -2,-0.5 47,-0.2 -0.949 11.2-157.9-111.4 112.0 131.0 33.2 12.4 121 126 A T E -ef 80 167A 1 45,-2.2 47,-2.4 -2,-0.6 2,-0.6 -0.554 17.9-116.6 -91.5 160.2 128.4 32.5 15.0 122 127 A D E - 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