==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-NOV-09 2WYM . COMPND 2 MOLECULE: L-ASCORBATE-6-PHOSPHATE LACTONASE ULAG; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR F.GARCES,F.J.FERNANDEZ,E.PENYA-SOLER,J.AGUILAR,L.BALDOMA, . 1802 18 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 59213.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1211 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 168 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 227 12.6 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 . 12 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 16 0.9 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 . 185 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 192 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 342 19.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 1.1 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 6 0 0 3 15 1 20 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 12 12 18 0 6 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 . 12 0 0 23 7 6 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 12 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 1 A M 0 0 182 0, 0.0 2,-0.1 0, 0.0 1654,-0.0 0.000 360.0 360.0 360.0 144.4 39.2 134.0 43.0 2 2 A S > - 0 0 42 1653,-0.1 4,-2.0 1,-0.1 5,-0.2 -0.307 360.0-109.4 -79.7 168.8 42.6 132.1 42.9 3 3 A K H > S+ 0 0 113 1651,-1.3 4,-1.7 1650,-0.2 1652,-0.2 0.852 116.5 57.2 -66.7 -36.1 43.2 128.8 41.1 4 4 A V H 4 S+ 0 0 5 1650,-1.7 -1,-0.2 1,-0.2 1651,-0.1 0.839 114.2 36.9 -65.1 -36.5 43.4 126.9 44.4 5 5 A K H 4 S+ 0 0 149 1,-0.1 -2,-0.2 -3,-0.1 -1,-0.2 0.878 119.1 45.1 -84.7 -41.9 40.0 128.0 45.6 6 6 A S H < S+ 0 0 59 -4,-2.0 2,-0.2 2,-0.0 -3,-0.2 0.921 90.7 88.1 -71.7 -47.6 38.0 128.0 42.3 7 7 A I < - 0 0 37 -4,-1.7 2,-0.2 -5,-0.2 -5,-0.0 -0.355 59.0-172.2 -64.6 122.5 39.1 124.6 40.8 8 8 A T > - 0 0 56 -2,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.558 40.6 -99.5-106.2 172.6 37.0 121.7 41.9 9 9 A R H > S+ 0 0 82 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.904 123.1 53.9 -55.5 -44.1 37.3 117.9 41.5 10 10 A E H > S+ 0 0 103 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.900 108.0 47.2 -59.4 -47.0 34.8 118.1 38.6 11 11 A S H > S+ 0 0 45 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.832 111.3 51.9 -68.0 -35.0 36.7 120.8 36.7 12 12 A W H X S+ 0 0 0 -4,-1.9 4,-1.6 2,-0.2 3,-0.2 0.935 113.2 44.6 -62.4 -49.0 40.0 118.9 37.1 13 13 A I H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.930 108.8 57.1 -61.8 -47.9 38.4 115.7 35.7 14 14 A L H < S+ 0 0 71 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.801 115.8 34.5 -54.8 -36.6 36.6 117.5 32.8 15 15 A S H < S+ 0 0 73 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.709 118.4 50.9 -93.9 -23.4 39.9 118.9 31.4 16 16 A T H < S+ 0 0 9 -4,-1.6 -2,-0.2 -5,-0.2 -3,-0.2 0.845 91.0 112.5 -81.9 -38.0 42.2 116.0 32.2 17 17 A F < + 0 0 2 -4,-2.2 2,-0.2 -5,-0.2 1512,-0.1 -0.725 59.9 31.4-113.1 150.8 40.3 113.1 30.8 18 18 A P S > S- 0 0 0 0, 0.0 3,-0.8 0, 0.0 69,-0.1 0.626 83.9-135.8 -67.9 156.3 40.4 111.0 28.6 19 19 A E T 3 S+ 0 0 0 1,-0.3 1577,-0.3 -2,-0.2 1564,-0.2 0.856 101.6 34.9 -51.3 -49.5 44.2 111.1 28.8 20 20 A W T > S- 0 0 3 64,-2.1 3,-1.8 1,-0.3 2,-0.3 0.613 92.6-166.0 -82.2 -13.7 44.9 111.2 25.1 21 21 A G T < - 0 0 5 -3,-0.8 66,-0.6 63,-0.3 -1,-0.3 -0.483 64.4 -28.1 65.0-122.3 41.8 113.3 24.4 22 22 A S T 3> S+ 0 0 34 1563,-2.4 4,-2.3 -2,-0.3 -1,-0.2 0.161 106.4 110.3-110.5 15.5 41.0 113.3 20.7 23 23 A W H <> S+ 0 0 25 -3,-1.8 4,-1.7 1,-0.2 -1,-0.1 0.911 83.6 39.6 -57.7 -49.6 44.6 112.7 19.5 24 24 A L H > S+ 0 0 0 61,-0.7 4,-2.6 2,-0.2 5,-0.2 0.859 110.7 60.1 -72.4 -35.9 44.1 109.2 18.2 25 25 A N H > S+ 0 0 20 60,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.927 109.2 43.4 -51.3 -50.3 40.7 110.1 16.9 26 26 A E H X S+ 0 0 43 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.849 110.9 55.1 -65.7 -38.2 42.4 112.7 14.6 27 27 A E H X S+ 0 0 40 -4,-1.7 4,-1.0 2,-0.2 -2,-0.2 0.896 111.6 43.8 -62.9 -42.0 45.2 110.2 13.7 28 28 A I H < S+ 0 0 7 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.884 112.7 52.9 -68.6 -41.2 42.6 107.7 12.5 29 29 A E H < S+ 0 0 95 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.886 116.2 38.4 -60.9 -41.9 40.6 110.4 10.7 30 30 A Q H < S+ 0 0 133 -4,-2.3 2,-0.2 -5,-0.1 -1,-0.2 0.595 86.3 118.9 -88.5 -13.3 43.6 111.6 8.8 31 31 A E < - 0 0 41 -4,-1.0 2,-1.0 -5,-0.2 8,-0.1 -0.383 51.6-155.1 -62.5 119.2 45.3 108.2 8.1 32 32 A Q - 0 0 178 -2,-0.2 2,-0.4 23,-0.0 -1,-0.1 -0.778 13.6-149.0 -96.0 88.6 45.5 107.5 4.4 33 33 A V - 0 0 16 -2,-1.0 22,-0.1 19,-0.3 3,-0.1 -0.450 17.1-129.8 -65.6 115.2 45.6 103.7 4.3 34 34 A A > - 0 0 49 -2,-0.4 3,-1.5 1,-0.1 -1,-0.1 -0.283 28.0 -95.7 -64.6 146.6 47.7 102.8 1.3 35 35 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.371 112.5 30.9 -60.5 145.5 46.3 100.2 -1.2 36 36 A G T 3 S+ 0 0 41 1,-0.3 2,-0.3 -3,-0.1 -2,-0.1 0.418 114.1 78.9 83.1 -0.7 47.5 96.6 -0.5 37 37 A T < - 0 0 14 -3,-1.5 2,-0.3 252,-0.1 -1,-0.3 -0.898 61.0-151.7-131.9 160.4 47.7 97.4 3.2 38 38 A F E -A 288 0A 1 250,-1.7 250,-2.3 -2,-0.3 2,-0.4 -0.990 10.8-147.4-129.8 148.5 45.5 97.8 6.3 39 39 A A E +AB 287 51A 1 12,-2.1 12,-2.8 -2,-0.3 2,-0.3 -0.880 16.8 179.0-111.6 144.5 45.9 99.9 9.4 40 40 A M E -AB 286 50A 0 246,-2.7 246,-3.1 -2,-0.4 2,-0.4 -0.996 13.5-153.3-143.9 148.3 44.8 99.0 12.9 41 41 A W E -AB 285 49A 0 8,-2.6 8,-2.5 -2,-0.3 2,-0.7 -0.974 19.9-128.8-123.5 137.3 44.9 100.6 16.3 42 42 A W E - B 0 48A 2 242,-1.9 241,-3.0 -2,-0.4 6,-0.2 -0.761 21.3-173.7 -82.2 112.8 44.9 99.0 19.7 43 43 A L E - 0 0 6 4,-3.6 42,-0.4 -2,-0.7 43,-0.3 0.393 54.0 -83.9 -88.9 2.1 42.2 100.8 21.7 44 44 A G E > S+ B 0 47A 2 3,-0.7 3,-3.3 1,-0.2 -1,-0.3 -0.109 97.3 15.9 106.0 153.2 43.0 98.9 24.9 45 45 A C T 3 S- 0 0 0 1,-0.3 201,-1.5 -3,-0.1 -1,-0.2 -0.348 139.2 -28.8 51.4-112.3 41.9 95.5 26.3 46 46 A T T 3 S+ 0 0 0 59,-0.5 2,-0.4 15,-0.4 -1,-0.3 0.221 103.9 132.8-111.3 11.0 40.6 93.8 23.2 47 47 A G E < +B 44 0A 0 -3,-3.3 -4,-3.6 16,-0.1 -3,-0.7 -0.499 31.1 178.8 -71.2 120.3 39.5 97.1 21.5 48 48 A I E -BC 42 60A 0 12,-3.1 12,-3.4 -2,-0.4 2,-0.5 -0.986 20.1-159.9-128.0 124.4 40.6 97.3 17.9 49 49 A W E -BC 41 59A 7 -8,-2.5 -8,-2.6 -2,-0.4 2,-0.4 -0.910 18.6-166.5 -95.1 129.7 40.0 100.1 15.4 50 50 A L E -BC 40 58A 0 8,-3.6 8,-3.0 -2,-0.5 2,-0.4 -0.962 9.9-173.1-120.5 131.9 40.4 98.8 11.8 51 51 A K E -BC 39 57A 15 -12,-2.8 -12,-2.1 -2,-0.4 6,-0.2 -0.963 11.9-152.9-128.6 116.6 40.7 100.9 8.7 52 52 A S > - 0 0 0 4,-2.1 3,-1.3 -2,-0.4 -19,-0.3 -0.143 34.0-100.5 -75.9 174.9 40.7 99.3 5.2 53 53 A E T 3 S+ 0 0 65 1,-0.3 -1,-0.1 -16,-0.1 -15,-0.1 0.801 122.4 58.7 -66.9 -30.0 42.4 100.7 2.0 54 54 A G T 3 S- 0 0 51 -20,-0.1 -1,-0.3 2,-0.1 105,-0.1 0.187 124.2-102.7 -85.1 15.5 38.9 102.0 0.9 55 55 A G < + 0 0 31 -3,-1.3 2,-0.4 1,-0.2 -2,-0.1 0.612 67.2 156.9 76.1 14.4 38.6 104.1 4.0 56 56 A T - 0 0 1 100,-0.1 -4,-2.1 39,-0.0 2,-0.5 -0.604 29.6-150.9 -74.5 125.5 36.2 101.8 5.8 57 57 A N E -C 51 0A 4 -2,-0.4 38,-2.0 -6,-0.2 39,-0.8 -0.870 16.0-179.7-101.4 129.5 36.3 102.2 9.6 58 58 A V E -Cd 50 96A 0 -8,-3.0 -8,-3.6 -2,-0.5 2,-0.5 -0.995 11.4-160.4-133.7 127.9 35.5 99.3 11.8 59 59 A C E -Cd 49 97A 1 37,-2.3 39,-3.3 -2,-0.4 2,-0.4 -0.938 12.3-172.3-114.4 117.7 35.5 99.4 15.7 60 60 A V E -Cd 48 98A 0 -12,-3.4 -12,-3.1 -2,-0.5 39,-0.2 -0.934 62.0 -16.1-118.3 131.5 35.7 96.0 17.5 61 61 A D S S- 0 0 0 37,-1.8 2,-0.5 -2,-0.4 -15,-0.4 0.741 75.3-179.5 53.7 33.0 35.4 95.3 21.2 62 62 A F - 0 0 10 36,-0.5 2,-0.6 -14,-0.2 -1,-0.2 -0.503 3.0-173.2 -70.9 113.0 35.8 99.0 22.2 63 63 A W + 0 0 7 -2,-0.5 -16,-0.1 -19,-0.3 45,-0.1 -0.930 19.7 172.3-118.4 114.0 35.6 99.2 26.0 64 64 A C + 0 0 1 -2,-0.6 2,-0.1 20,-0.1 -1,-0.1 -0.166 49.9 100.6-112.0 37.4 35.5 102.5 27.8 65 65 A G - 0 0 12 39,-0.1 2,-0.3 40,-0.0 -2,-0.1 -0.389 57.3-136.8-105.1-171.4 34.8 101.3 31.3 66 66 A T - 0 0 24 1,-0.2 3,-0.1 -2,-0.1 1470,-0.1 -0.871 10.0-117.7-141.9 173.2 37.0 100.8 34.3 67 67 A G S S- 0 0 15 1468,-0.3 12,-0.2 -2,-0.3 -1,-0.2 0.217 71.1 -14.3 -90.6-146.0 37.6 98.3 37.2 68 68 A K + 0 0 74 10,-2.5 -1,-0.3 1,-0.1 1471,-0.2 -0.369 49.4 176.5 -61.8 126.2 37.3 98.6 40.9 69 69 A Q + 0 0 67 1,-0.2 1469,-2.0 -2,-0.1 2,-0.3 0.336 69.9 15.1-110.2 1.8 37.0 102.3 42.0 70 70 A S S S- 0 0 54 1467,-0.2 -1,-0.2 1468,-0.1 1469,-0.1 -0.968 70.1-118.5-166.4 159.9 36.5 101.4 45.7 71 71 A H 0 0 92 -2,-0.3 -1,-0.1 1467,-0.1 1468,-0.0 0.793 360.0 360.0 -75.8 -31.2 36.9 98.6 48.2 72 72 A G 0 0 111 -3,-0.1 -1,-0.0 0, 0.0 -2,-0.0 0.353 360.0 360.0 80.9 360.0 33.2 98.6 49.0 73 ! 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 74 90 A K 0 0 215 0, 0.0 2,-0.8 0, 0.0 1745,-0.0 0.000 360.0 360.0 360.0 92.0 34.1 86.7 43.6 75 91 A L + 0 0 177 1744,-0.1 0, 0.0 1743,-0.1 0, 0.0 -0.861 360.0 179.5-100.7 96.9 36.1 89.4 45.5 76 92 A Q - 0 0 49 -2,-0.8 2,-1.1 2,-0.1 -8,-0.1 -0.881 32.3-154.4-115.2 124.8 38.4 90.6 42.8 77 93 A P + 0 0 16 0, 0.0 2,-0.7 0, 0.0 175,-0.2 -0.419 37.9 155.8 -90.8 59.2 41.1 93.4 42.9 78 94 A N - 0 0 20 -2,-1.1 -10,-2.5 173,-0.1 2,-0.4 -0.784 16.2-179.7 -91.8 111.8 41.0 94.2 39.2 79 95 A L - 0 0 2 -2,-0.7 172,-2.0 -12,-0.2 2,-0.4 -0.937 35.1-110.5-116.0 131.9 42.2 97.7 38.5 80 96 A R B -G 250 0B 2 -2,-0.4 170,-0.2 1455,-0.4 169,-0.1 -0.448 33.1-179.4 -63.6 114.3 42.3 99.2 35.0 81 97 A T + 0 0 29 168,-2.0 -1,-0.2 -2,-0.4 169,-0.1 0.385 56.6 83.4 -98.1 1.7 46.1 99.6 34.3 82 98 A T S S- 0 0 5 167,-0.4 1516,-0.1 1516,-0.1 1515,-0.0 -0.880 71.8-136.5-108.1 135.0 45.5 101.1 30.8 83 99 A P - 0 0 11 0, 0.0 2,-0.7 0, 0.0 -2,-0.1 -0.243 36.0 -89.7 -75.4 177.0 44.9 104.8 30.2 84 100 A F + 0 0 4 1,-0.1 -64,-2.1 -20,-0.0 -63,-0.3 -0.823 42.9 172.4 -97.5 115.4 42.2 106.0 27.7 85 101 A V + 0 0 2 -2,-0.7 -61,-0.7 -42,-0.4 2,-0.4 0.683 64.6 44.8 -94.5 -23.1 43.6 106.5 24.2 86 102 A L - 0 0 2 -43,-0.3 -1,-0.2 -62,-0.1 -64,-0.1 -0.989 68.3-141.6-130.6 130.5 40.4 107.2 22.3 87 103 A D > - 0 0 6 -66,-0.6 3,-1.5 -2,-0.4 4,-0.2 -0.822 10.7-159.1 -85.0 113.3 37.5 109.4 23.2 88 104 A P G > S+ 0 0 0 0, 0.0 3,-1.3 0, 0.0 -1,-0.2 0.840 92.1 58.8 -60.9 -33.3 34.3 107.5 22.0 89 105 A F G 3 S+ 0 0 10 1,-0.3 1436,-0.1 -3,-0.1 -2,-0.0 0.501 99.2 59.0 -75.8 -5.3 32.4 110.8 21.9 90 106 A A G < S+ 0 0 27 -3,-1.5 2,-0.4 -69,-0.1 -1,-0.3 0.402 77.2 115.9-100.5 -1.6 34.9 112.1 19.4 91 107 A I < + 0 0 3 -3,-1.3 3,-0.1 -4,-0.2 27,-0.1 -0.562 25.7 149.8 -69.3 124.3 34.1 109.3 16.9 92 108 A R + 0 0 129 -2,-0.4 2,-0.7 1,-0.3 28,-0.4 0.666 57.0 54.4-121.8 -50.8 32.6 110.8 13.8 93 109 A Q + 0 0 106 26,-0.1 2,-0.3 -37,-0.0 -1,-0.3 -0.832 69.0 140.3 -96.1 110.8 33.5 108.6 10.8 94 110 A I - 0 0 14 -2,-0.7 26,-0.2 -3,-0.1 -36,-0.1 -0.994 34.2-171.8-148.5 148.6 32.5 104.9 11.4 95 111 A D S S+ 0 0 29 -38,-2.0 2,-0.3 1,-0.4 -37,-0.2 0.654 75.1 2.9-112.1 -26.3 31.0 102.1 9.3 96 112 A A E -d 58 0A 0 -39,-0.8 -37,-2.3 27,-0.2 2,-0.5 -0.957 51.0-145.8-162.4 143.7 30.3 99.4 11.9 97 113 A V E -de 59 125A 7 27,-2.5 29,-3.2 -2,-0.3 2,-0.3 -0.956 30.3-170.0-108.1 128.3 30.5 98.8 15.7 98 114 A L E -de 60 126A 3 -39,-3.3 -37,-1.8 -2,-0.5 -36,-0.5 -0.867 16.3-172.5-123.4 153.3 31.4 95.2 16.6 99 115 A A - 0 0 0 27,-1.8 3,-0.1 -2,-0.3 32,-0.1 -0.989 14.5-158.7-142.9 136.3 31.4 92.9 19.7 100 116 A T S S- 0 0 0 -2,-0.3 75,-2.4 1,-0.3 2,-0.3 0.894 77.8 -9.9 -79.8 -43.2 32.8 89.4 20.0 101 117 A H B -H 174 0C 26 73,-0.2 -1,-0.3 2,-0.1 73,-0.2 -0.986 69.0-103.4-157.6 159.8 30.8 88.5 23.1 102 118 A D S S+ 0 0 65 71,-0.9 5,-0.1 -2,-0.3 72,-0.1 0.353 70.8 133.0 -71.6 6.2 28.6 90.0 25.8 103 119 A H >> - 0 0 74 1,-0.1 3,-2.0 3,-0.1 4,-0.7 -0.213 69.8-110.5 -59.3 147.6 31.3 90.0 28.5 104 120 A N G >4 S+ 0 0 102 1,-0.3 3,-0.6 2,-0.2 -1,-0.1 0.808 114.0 51.8 -46.4 -43.0 31.8 93.2 30.5 105 121 A D G 34 S+ 0 0 11 1,-0.2 -59,-0.5 -42,-0.1 -1,-0.3 0.308 109.6 49.9 -84.0 8.7 35.2 94.1 29.0 106 122 A H G <4 S+ 0 0 1 -3,-2.0 2,-0.3 1,-0.2 -6,-0.2 0.486 104.7 48.9-127.6 -9.9 34.1 93.8 25.4 107 123 A I << - 0 0 10 -4,-0.7 2,-0.4 -3,-0.6 -1,-0.2 -0.996 63.9-163.0-139.7 140.7 30.9 95.9 25.1 108 124 A D > - 0 0 11 -2,-0.3 4,-2.0 -46,-0.2 5,-0.2 -0.984 22.2-154.1-139.5 128.6 30.2 99.4 26.3 109 125 A V H > S+ 0 0 35 -2,-0.4 4,-2.6 1,-0.2 -1,-0.1 0.855 102.0 49.7 -62.0 -40.8 27.1 101.5 27.0 110 126 A N H > S+ 0 0 24 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.813 107.8 53.0 -73.1 -33.1 29.0 104.8 26.4 111 127 A V H > S+ 0 0 5 2,-0.2 4,-2.0 -49,-0.2 -2,-0.2 0.927 113.6 43.7 -66.1 -46.0 30.5 103.6 23.0 112 128 A A H X S+ 0 0 1 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.926 115.5 49.9 -60.7 -45.9 26.9 102.7 21.9 113 129 A A H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.914 111.6 46.5 -59.6 -48.1 25.7 106.0 23.3 114 130 A A H X S+ 0 0 1 -4,-3.0 4,-2.7 2,-0.2 5,-0.3 0.873 114.1 48.1 -64.6 -38.7 28.4 108.1 21.6 115 131 A V H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.897 111.2 50.5 -69.3 -41.3 27.8 106.3 18.2 116 132 A M H < S+ 0 0 41 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.806 119.2 38.7 -63.7 -30.8 24.1 106.7 18.5 117 133 A Q H < S+ 0 0 70 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.852 126.9 27.9 -88.1 -39.7 24.5 110.5 19.2 118 134 A N H < S+ 0 0 48 -4,-2.7 2,-0.2 -5,-0.2 -3,-0.2 0.582 108.0 66.3-106.8 -13.6 27.4 111.5 16.9 119 135 A C S < S- 0 0 17 -4,-1.7 -26,-0.1 -5,-0.3 -27,-0.1 -0.694 91.4 -73.3-114.8 163.8 27.3 109.1 13.9 120 136 A A > - 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0 0 8 0, 0.0 2,-0.7 0, 0.0 -2,-0.1 -0.312 37.2 -94.7 -71.5 166.8 64.6 52.2 21.5 389 100 B F + 0 0 2 1,-0.2 -63,-1.9 -19,-0.0 -62,-0.3 -0.782 41.3 178.2 -90.5 116.8 65.1 50.1 18.4 390 101 B V + 0 0 2 -2,-0.7 -60,-0.7 -41,-0.3 2,-0.4 0.688 63.8 45.5 -94.1 -22.5 63.9 52.1 15.4 391 102 B L S S- 0 0 1 -42,-0.2 -63,-0.1 -61,-0.1 -1,-0.1 -0.966 71.2-138.0-125.9 139.6 64.7 49.6 12.6 392 103 B D > - 0 0 5 -2,-0.4 3,-1.7 -65,-0.2 4,-0.4 -0.879 9.6-157.9 -94.6 112.9 64.1 45.9 12.4 393 104 B P G > S+ 0 0 0 0, 0.0 3,-1.1 0, 0.0 -1,-0.2 0.838 93.4 56.6 -57.4 -33.5 67.2 44.2 10.9 394 105 B F G 3 S+ 0 0 14 1,-0.2 828,-0.1 -3,-0.1 -66,-0.1 0.491 99.6 59.1 -80.9 -3.7 65.1 41.2 9.8 395 106 B A G < S+ 0 0 21 -3,-1.7 2,-0.3 -68,-0.1 -1,-0.2 0.461 78.5 115.6 -98.0 -5.7 62.7 43.5 7.9 396 107 B I < + 0 0 2 -3,-1.1 3,-0.1 -4,-0.4 27,-0.1 -0.504 25.7 147.8 -65.8 123.1 65.6 44.7 5.7 397 108 B R + 0 0 124 -2,-0.3 2,-0.8 1,-0.3 28,-0.4 0.643 57.2 53.9-117.9 -65.5 65.0 43.6 2.1 398 109 B Q + 0 0 112 26,-0.1 2,-0.3 -36,-0.0 -1,-0.3 -0.680 69.0 140.6 -82.1 110.2 66.5 46.2 -0.3 399 110 B I - 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0 0 135 -4,-0.5 -3,-0.2 -5,-0.3 -4,-0.1 0.909 33.1-160.9 50.8 47.8 83.7 82.7 10.2 579 308 B Y < - 0 0 22 -5,-2.2 -1,-0.2 -6,-0.2 -38,-0.0 -0.405 13.3-161.9 -59.6 127.6 82.2 79.2 10.7 580 309 B G + 0 0 61 -3,-0.1 2,-0.2 -2,-0.1 -1,-0.1 0.175 66.2 65.0 -97.9 15.3 80.9 78.0 7.3 581 310 B F - 0 0 7 -44,-0.1 -34,-0.2 -7,-0.1 -35,-0.1 -0.749 66.7-139.7-127.2 173.9 78.7 75.3 8.8 582 311 B K E -d 547 0J 62 -36,-1.5 -34,-2.4 -2,-0.2 2,-0.2 -0.991 22.9-120.6-131.9 142.7 75.6 75.0 11.0 583 312 B P E -d 548 0J 4 0, 0.0 2,-0.4 0, 0.0 -34,-0.2 -0.552 24.2-162.2 -75.6 149.4 74.9 72.4 13.7 584 313 B F - 0 0 2 -36,-2.7 2,-0.7 -2,-0.2 18,-0.2 -0.955 8.6-149.2-135.7 118.9 71.9 70.2 13.3 585 314 B I B -f 602 0L 11 16,-3.2 18,-2.7 -2,-0.4 2,-0.1 -0.776 23.0-167.1 -88.5 114.7 70.4 68.2 16.3 586 315 B W - 0 0 0 -2,-0.7 2,-0.4 -36,-0.4 6,-0.0 -0.425 13.2-137.9 -94.0 168.1 68.9 65.0 15.0 587 316 B Q > - 0 0 58 -2,-0.1 3,-2.3 4,-0.1 -239,-0.3 -0.985 34.8 -96.5-125.5 143.8 66.6 62.5 16.7 588 317 B V T 3 S+ 0 0 11 -2,-0.4 -239,-0.2 1,-0.3 3,-0.1 -0.338 113.5 22.4 -60.9 130.7 66.9 58.7 16.4 589 318 B G T 3 S+ 0 0 2 -241,-3.4 -1,-0.3 1,-0.3 -240,-0.1 0.359 98.7 132.5 90.1 -2.6 64.7 57.3 13.7 590 319 B G < - 0 0 0 -3,-2.3 -242,-1.4 -242,-0.2 -1,-0.3 -0.408 52.5-128.1 -81.3 157.2 64.6 60.7 12.0 591 320 B K E -Q 347 0G 57 -244,-0.2 2,-0.4 -2,-0.1 -244,-0.2 -0.789 16.9-164.1-101.5 145.6 65.2 61.5 8.3 592 321 B F E -Q 346 0G 0 -246,-2.4 -246,-2.2 -2,-0.3 2,-0.6 -0.999 1.7-164.7-128.8 133.0 67.7 64.0 6.9 593 322 B T E > -Q 345 0G 15 -2,-0.4 4,-3.3 -248,-0.2 5,-0.3 -0.941 24.8-122.5-117.7 109.2 67.6 65.4 3.4 594 323 B W E 4 S+Q 344 0G 22 -250,-2.1 -250,-1.9 -2,-0.6 -79,-0.0 -0.778 91.5 4.7 -84.0 134.0 70.7 67.2 2.2 595 324 B P T >4 S+ 0 0 55 0, 0.0 3,-1.5 0, 0.0 -1,-0.3 -0.974 122.8 67.6 -93.8 8.0 70.6 70.0 1.2 596 325 B L T 34 S+ 0 0 129 1,-0.3 3,-0.4 2,-0.1 -2,-0.2 0.883 110.7 34.1 -52.1 -47.1 66.9 70.5 2.0 597 326 B D T >< S+ 0 0 20 -4,-3.3 3,-1.8 1,-0.2 4,-0.3 0.289 83.2 111.8 -96.5 9.8 67.3 70.4 5.8 598 327 B K T < S+ 0 0 72 -3,-1.5 3,-0.3 -5,-0.3 -1,-0.2 0.738 82.1 42.0 -58.9 -27.4 70.7 72.1 6.0 599 328 B D T 3 S+ 0 0 69 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.234 87.3 96.8-104.3 11.9 69.4 75.2 7.7 600 329 B N < - 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0 0 28 -3,-1.7 2,-2.4 1,-0.2 -624,-0.1 0.735 59.7-165.5 -73.2 -25.7 81.2 90.5 11.2 1203 330 D F + 0 0 24 -4,-0.3 -16,-2.7 -3,-0.2 2,-0.4 -0.263 68.7 40.0 70.9 -53.0 80.2 91.5 14.8 1204 331 D E B S-l 1187 0X 17 -2,-2.4 -16,-0.2 -18,-0.2 2,-0.1 -0.988 76.6-137.2-136.6 126.5 83.4 90.2 16.4 1205 332 D Y - 0 0 30 -18,-2.7 2,-0.3 -2,-0.4 -629,-0.1 -0.421 15.3-169.0 -74.2 148.4 87.0 90.5 15.2 1206 333 D H - 0 0 25 -2,-0.1 3,-0.1 -17,-0.1 -347,-0.1 -0.990 23.6-118.6-135.1 139.9 89.6 87.7 15.3 1207 334 D Y - 0 0 18 -349,-0.4 2,-0.1 -2,-0.3 -15,-0.0 -0.268 54.3 -73.5 -60.7 153.9 93.3 87.9 14.7 1208 335 D P + 0 0 75 0, 0.0 -1,-0.2 0, 0.0 3,-0.0 -0.370 56.2 179.4 -50.2 119.3 94.8 85.9 11.9 1209 336 D R + 0 0 30 -2,-0.1 -350,-0.1 -3,-0.1 -2,-0.0 0.927 54.4 41.4 -89.0 -63.9 94.7 82.3 13.2 1210 337 D G S S- 0 0 20 -527,-0.1 2,-0.2 1,-0.1 -383,-0.1 0.120 87.2-104.1 -77.9-167.8 96.2 80.1 10.5 1211 338 D F 0 0 118 -528,-0.1 -1,-0.1 -527,-0.0 0, 0.0 -0.480 360.0 360.0-119.4 55.3 99.1 80.5 8.1 1212 339 D D 0 0 195 -2,-0.2 -2,-0.1 0, 0.0 -3,-0.0 -0.829 360.0 360.0-107.4 360.0 97.1 81.3 5.0 1213 !* 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 1214 1 E M 0 0 187 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 112.9 74.7 25.6 11.2 1215 2 E S >> - 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