==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE REGULATOR, DNA BINDING PROTEIN06-JUN-11 3SC3 . COMPND 2 MOLECULE: PUTATIVE DNA REPLICATION REGULATOR HDA; . SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA AMAZONENSIS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 423 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21548.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 298 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 15 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 165 39.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.8 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 0 0 0 2 3 0 2 0 2 0 3 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 3 4 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 . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 30 A Y 0 0 221 0, 0.0 2,-0.4 0, 0.0 179,-0.0 0.000 360.0 360.0 360.0 93.5 38.0 10.7 112.3 2 31 A P > - 0 0 51 0, 0.0 3,-1.7 0, 0.0 31,-0.1 -0.422 360.0-156.2 -60.8 114.3 40.6 9.6 114.8 3 32 A A T 3 S+ 0 0 33 -2,-0.4 139,-0.1 1,-0.3 31,-0.1 0.671 83.2 89.8 -61.3 -14.9 39.1 9.7 118.3 4 33 A A T 3 + 0 0 10 29,-0.3 2,-0.3 138,-0.2 -1,-0.3 0.778 55.6 113.2 -53.7 -29.3 42.7 10.0 119.3 5 34 A G < + 0 0 33 -3,-1.7 2,-0.4 4,-0.1 29,-0.0 -0.287 40.8 160.5 -51.7 106.4 42.2 13.7 119.1 6 35 A N >> - 0 0 79 -2,-0.3 4,-2.9 1,-0.1 3,-0.7 -0.986 49.6-123.3-136.7 125.7 42.6 14.9 122.7 7 36 A D H 3> S+ 0 0 136 -2,-0.4 4,-0.9 1,-0.3 -2,-0.1 0.670 113.5 49.3 -43.0 -24.9 43.3 18.5 123.7 8 37 A E H 3> S+ 0 0 121 2,-0.2 4,-1.9 3,-0.2 -1,-0.3 0.939 115.9 38.6 -79.9 -52.0 46.4 17.2 125.6 9 38 A L H <> S+ 0 0 7 -3,-0.7 4,-1.1 1,-0.2 -2,-0.2 0.873 121.6 46.2 -64.1 -38.4 47.8 15.0 122.8 10 39 A I H X S+ 0 0 61 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.815 111.2 52.0 -74.4 -32.5 46.9 17.6 120.2 11 40 A G H X S+ 0 0 36 -4,-0.9 4,-1.3 -5,-0.5 -2,-0.2 0.839 107.5 52.3 -71.7 -33.7 48.3 20.4 122.4 12 41 A A H X S+ 0 0 9 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.807 111.5 47.4 -70.7 -31.3 51.6 18.6 122.8 13 42 A L H X S+ 0 0 13 -4,-1.1 4,-2.0 2,-0.2 5,-0.2 0.888 107.7 53.6 -77.1 -42.2 51.8 18.2 119.0 14 43 A K H X S+ 0 0 114 -4,-2.1 4,-1.3 1,-0.2 6,-0.2 0.842 111.4 48.7 -59.8 -32.6 51.0 21.9 118.3 15 44 A S H X>S+ 0 0 18 -4,-1.3 5,-1.6 2,-0.2 6,-0.7 0.828 107.7 53.2 -77.3 -34.1 53.8 22.8 120.6 16 45 A A H <5S+ 0 0 0 -4,-1.2 94,-0.3 1,-0.2 3,-0.3 0.880 112.6 44.4 -67.8 -37.9 56.3 20.4 119.0 17 46 A A H <5S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.810 113.0 50.5 -77.7 -31.4 55.7 21.9 115.6 18 47 A S H <5S- 0 0 47 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.574 107.0-125.0 -80.4 -10.5 55.8 25.5 116.8 19 48 A G T <5 + 0 0 31 -4,-0.6 -3,-0.2 -3,-0.3 90,-0.2 0.666 60.8 150.4 69.7 18.7 59.1 24.9 118.6 20 49 A D S S- 0 0 51 0, 0.0 3,-0.9 0, 0.0 5,-0.3 0.089 74.3 -63.9 -60.5 178.1 46.9 -0.0 117.0 31 60 A V T 3 S+ 0 0 123 1,-0.2 85,-0.0 2,-0.1 0, 0.0 -0.452 121.8 12.3 -69.6 139.6 46.8 0.2 113.2 32 61 A K T 3 S+ 0 0 119 -2,-0.1 -1,-0.2 -3,-0.1 0, 0.0 0.859 82.2 132.7 60.8 38.4 44.9 3.2 111.8 33 62 A S S < S- 0 0 4 -3,-0.9 -29,-0.3 -4,-0.1 -2,-0.1 0.419 87.4 -95.3 -92.9 -1.2 44.7 4.9 115.2 34 63 A G S > S+ 0 0 11 -4,-0.1 4,-2.3 -31,-0.1 5,-0.2 0.555 85.4 134.0 98.5 12.0 45.8 8.1 113.6 35 64 A R H > S+ 0 0 25 -5,-0.3 4,-1.0 1,-0.2 -8,-0.1 0.952 78.4 37.3 -56.4 -55.0 49.5 7.7 114.3 36 65 A T H > S+ 0 0 72 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.822 114.4 57.2 -69.3 -32.3 50.7 8.6 110.8 37 66 A H H > S+ 0 0 113 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.891 104.2 51.2 -66.5 -40.1 48.0 11.3 110.4 38 67 A L H X S+ 0 0 17 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.787 109.7 51.8 -68.5 -27.3 49.1 13.2 113.6 39 68 A I H X S+ 0 0 2 -4,-1.0 4,-2.2 2,-0.2 -2,-0.2 0.910 109.3 47.4 -75.0 -43.6 52.7 13.2 112.2 40 69 A H H X S+ 0 0 63 -4,-2.0 4,-1.1 1,-0.2 -2,-0.2 0.835 112.6 51.8 -64.0 -31.9 51.7 14.6 108.8 41 70 A A H X S+ 0 0 43 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.800 109.0 49.1 -76.1 -30.4 49.6 17.2 110.7 42 71 A A H X S+ 0 0 3 -4,-1.2 4,-2.0 2,-0.2 -2,-0.2 0.866 112.6 46.9 -75.7 -38.0 52.6 18.2 112.9 43 72 A C H X S+ 0 0 3 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.746 111.6 53.5 -72.7 -24.0 54.9 18.5 109.9 44 73 A A H X S+ 0 0 22 -4,-1.1 4,-1.5 -5,-0.2 -2,-0.2 0.864 110.4 45.0 -77.2 -38.6 52.1 20.5 108.2 45 74 A R H X S+ 0 0 84 -4,-1.6 4,-1.4 2,-0.2 -2,-0.2 0.850 113.5 52.2 -70.6 -36.2 51.9 22.9 111.2 46 75 A A H ><>S+ 0 0 0 -4,-2.0 5,-1.3 2,-0.2 3,-0.9 0.987 113.1 41.7 -61.7 -59.8 55.7 23.1 111.2 47 76 A N H ><5S+ 0 0 40 -4,-2.2 3,-1.5 1,-0.3 -1,-0.2 0.784 109.4 60.4 -58.8 -29.8 56.0 24.0 107.5 48 77 A E H 3<5S+ 0 0 120 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.839 106.5 46.2 -68.3 -32.3 53.0 26.3 107.9 49 78 A L T <<5S- 0 0 71 -4,-1.4 -1,-0.3 -3,-0.9 -2,-0.2 0.002 126.9-106.3 -93.6 26.4 55.0 28.3 110.5 50 79 A E T < 5S+ 0 0 179 -3,-1.5 2,-0.3 1,-0.2 -3,-0.3 0.919 75.2 139.1 45.4 57.2 57.9 28.1 108.0 51 80 A R < - 0 0 54 -5,-1.3 2,-0.5 -8,-0.2 -1,-0.2 -0.974 56.0-109.1-128.6 146.2 59.9 25.5 110.0 52 81 A R - 0 0 130 -2,-0.3 25,-1.9 22,-0.2 24,-1.0 -0.605 35.6-178.8 -86.4 121.4 61.7 22.5 108.6 53 82 A S E -c 77 0A 2 -2,-0.5 320,-1.2 317,-0.5 2,-0.4 -0.934 7.0-168.2-120.0 141.6 60.3 19.0 109.1 54 83 A F E -c 78 0A 17 23,-2.1 25,-2.5 -2,-0.4 2,-0.4 -0.996 7.7-155.3-132.9 133.2 61.7 15.7 108.0 55 84 A Y E -c 79 0A 23 317,-1.2 25,-0.2 -2,-0.4 317,-0.1 -0.878 7.2-170.1-118.1 138.4 59.9 12.3 108.0 56 85 A I E -c 80 0A 1 23,-2.1 25,-2.3 -2,-0.4 2,-1.3 -0.976 15.5-154.8-127.9 119.1 61.2 8.7 108.1 57 86 A P E > -c 81 0A 8 0, 0.0 3,-1.6 0, 0.0 25,-0.1 -0.744 15.5-170.0 -85.4 90.7 59.2 5.6 107.6 58 87 A L G > S+ 0 0 0 23,-1.7 3,-1.3 -2,-1.3 24,-0.1 0.486 70.4 87.2 -68.0 0.2 61.5 3.3 109.7 59 88 A G G 3 S+ 0 0 54 22,-0.3 -1,-0.3 1,-0.3 3,-0.2 0.483 86.8 55.0 -73.6 -2.2 59.5 0.3 108.4 60 89 A I G X> + 0 0 35 -3,-1.6 3,-2.1 1,-0.1 4,-0.5 0.015 68.6 122.5-114.5 24.5 61.9 0.4 105.4 61 90 A H T <4 + 0 0 45 -3,-1.3 3,-0.2 1,-0.3 -1,-0.1 0.647 62.5 69.5 -67.1 -14.7 65.0 0.2 107.6 62 91 A A T 34 S+ 0 0 93 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.650 105.3 41.4 -74.7 -13.9 66.2 -2.9 105.8 63 92 A S T <4 S+ 0 0 72 -3,-2.1 2,-0.2 2,-0.1 -1,-0.2 0.473 111.7 59.6-112.1 -8.9 66.8 -0.8 102.6 64 93 A I S < S- 0 0 20 -4,-0.5 2,-0.2 -3,-0.2 344,-0.1 -0.737 75.7-118.7-119.5 169.4 68.4 2.3 104.2 65 94 A S > - 0 0 59 342,-0.3 3,-1.4 -2,-0.2 4,-0.1 -0.697 20.9-121.2-107.8 159.0 71.5 3.0 106.3 66 95 A T G > S+ 0 0 52 1,-0.3 3,-1.2 -2,-0.2 4,-0.5 0.564 106.8 77.1 -73.4 -7.9 71.8 4.5 109.8 67 96 A A G 3 S+ 0 0 39 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.482 77.3 74.2 -79.4 -2.7 73.9 7.2 108.2 68 97 A L G < S+ 0 0 32 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.582 90.4 58.7 -82.2 -11.1 70.6 8.7 107.0 69 98 A L S X S+ 0 0 4 -3,-1.2 3,-1.6 -4,-0.1 -2,-0.2 0.805 83.7 92.9 -85.1 -33.7 70.0 9.8 110.6 70 99 A E T 3 S+ 0 0 133 -4,-0.5 29,-0.0 1,-0.2 25,-0.0 -0.429 89.1 24.5 -68.8 131.0 73.1 12.0 110.9 71 100 A G T > S+ 0 0 37 -2,-0.2 3,-1.3 4,-0.0 4,-0.3 0.190 86.7 111.1 102.5 -13.3 72.5 15.6 110.0 72 101 A L G X + 0 0 10 -3,-1.6 3,-0.7 1,-0.3 -2,-0.1 0.558 55.4 83.6 -71.0 -7.1 68.8 15.5 110.8 73 102 A E G 3 S+ 0 0 27 1,-0.2 -1,-0.3 -4,-0.1 35,-0.1 0.771 76.4 69.2 -69.1 -25.3 69.4 17.7 113.9 74 103 A Q G < S+ 0 0 107 -3,-1.3 -1,-0.2 2,-0.0 -22,-0.2 0.887 82.4 89.8 -59.1 -39.3 69.2 20.8 111.7 75 104 A F S < S- 0 0 26 -3,-0.7 -22,-0.2 -4,-0.3 3,-0.1 -0.321 75.1-143.3 -60.3 137.9 65.5 20.2 111.1 76 105 A D S S+ 0 0 36 -24,-1.0 34,-1.9 1,-0.2 2,-0.4 0.698 91.0 34.1 -75.7 -20.0 63.3 21.8 113.7 77 106 A L E -cd 53 110A 0 -25,-1.9 -23,-2.1 32,-0.2 2,-0.5 -0.974 66.3-176.7-140.3 123.0 61.0 18.8 113.6 78 107 A I E -cd 54 111A 2 32,-1.6 34,-2.0 -2,-0.4 2,-0.4 -0.977 8.0-170.1-122.0 120.6 62.1 15.2 113.1 79 108 A C E -cd 55 112A 0 -25,-2.5 -23,-2.1 -2,-0.5 2,-0.5 -0.925 7.5-169.7-115.9 133.6 59.4 12.5 112.8 80 109 A I E > -cd 56 113A 1 32,-2.4 34,-2.1 -2,-0.4 3,-0.6 -0.918 11.4-153.5-125.1 103.9 60.0 8.7 112.8 81 110 A D E 3 S+c 57 0A 6 -25,-2.3 -23,-1.7 -2,-0.5 -22,-0.3 -0.616 81.2 4.9 -75.9 127.5 57.1 6.5 112.0 82 111 A D T > + 0 0 44 -2,-0.4 3,-1.5 -25,-0.1 -1,-0.3 0.978 69.5 171.5 62.6 58.3 57.4 3.0 113.5 83 112 A V G X S+ 0 0 0 31,-2.4 3,-1.1 -3,-0.6 32,-0.2 0.779 75.5 65.1 -66.2 -24.8 60.5 3.7 115.6 84 113 A D G > S+ 0 0 26 30,-0.6 3,-0.6 1,-0.2 -1,-0.3 0.330 76.0 88.7 -81.5 8.9 59.9 0.3 117.2 85 114 A A G < S+ 0 0 41 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.1 0.660 91.8 44.1 -79.4 -16.6 60.5 -1.4 113.8 86 115 A V G X S+ 0 0 2 -3,-1.1 3,-2.5 -4,-0.1 7,-0.3 0.244 82.0 140.3-106.8 8.1 64.2 -1.6 114.6 87 116 A A T < S+ 0 0 30 -3,-0.6 37,-0.2 1,-0.3 -3,-0.1 -0.363 70.7 25.7 -57.0 118.2 63.5 -2.8 118.2 88 117 A G T 3 S+ 0 0 38 -2,-0.2 -1,-0.3 1,-0.2 36,-0.1 0.266 91.8 114.1 110.2 -7.6 66.1 -5.4 118.9 89 118 A H <> - 0 0 75 -3,-2.5 4,-2.8 1,-0.2 5,-0.3 -0.839 52.3-159.3-102.7 102.1 68.7 -4.1 116.5 90 119 A P H > S+ 0 0 86 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.847 89.1 47.4 -47.0 -48.8 71.8 -2.9 118.4 91 120 A L H > S+ 0 0 111 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.943 115.7 42.9 -62.5 -51.1 73.1 -0.7 115.6 92 121 A W H > S+ 0 0 12 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.900 112.3 53.4 -63.1 -43.4 69.8 1.0 114.8 93 122 A E H X S+ 0 0 0 -4,-2.8 4,-2.4 -7,-0.3 -1,-0.2 0.823 111.5 47.4 -60.9 -32.1 68.9 1.5 118.4 94 123 A E H X S+ 0 0 102 -4,-1.6 4,-2.0 -5,-0.3 -1,-0.2 0.869 109.7 51.7 -75.8 -38.2 72.3 3.2 118.9 95 124 A A H X S+ 0 0 13 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.837 116.4 41.9 -66.3 -32.6 71.8 5.4 115.8 96 125 A I H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.937 113.0 49.6 -79.3 -52.4 68.4 6.4 117.2 97 126 A F H X S+ 0 0 42 -4,-2.4 4,-1.1 1,-0.3 -2,-0.2 0.858 111.8 51.9 -54.2 -36.9 69.4 6.9 120.8 98 127 A D H X S+ 0 0 58 -4,-2.0 4,-2.0 1,-0.2 3,-0.3 0.889 107.0 52.5 -67.9 -39.3 72.3 9.0 119.5 99 128 A L H X S+ 0 0 0 -4,-1.1 4,-1.6 1,-0.2 -2,-0.2 0.894 100.6 61.3 -63.1 -41.8 69.8 11.1 117.4 100 129 A Y H X S+ 0 0 6 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.881 109.4 43.2 -50.7 -40.5 67.7 11.8 120.5 101 130 A N H X S+ 0 0 59 -4,-1.1 4,-1.3 -3,-0.3 -1,-0.2 0.890 109.6 53.5 -76.0 -41.5 70.7 13.5 122.1 102 131 A R H < S+ 0 0 71 -4,-2.0 4,-0.4 2,-0.2 -1,-0.2 0.701 109.4 53.9 -66.7 -18.2 71.8 15.4 119.0 103 132 A V H >X>S+ 0 0 7 -4,-1.6 3,-1.4 2,-0.2 4,-0.7 0.961 112.2 37.4 -79.4 -59.6 68.3 16.8 118.8 104 133 A A H 3<5S+ 0 0 33 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.1 0.653 105.6 74.4 -66.4 -14.9 67.9 18.2 122.3 105 134 A E T 3<5S+ 0 0 147 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.813 96.1 48.7 -64.8 -30.9 71.6 19.2 121.9 106 135 A Q T <45S- 0 0 61 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.2 0.790 88.8-149.3 -77.7 -30.6 70.4 22.0 119.6 107 136 A K T <5S+ 0 0 187 -4,-0.7 2,-0.5 2,-0.2 -3,-0.1 0.586 73.8 104.6 60.9 10.0 67.7 23.3 121.9 108 137 A R S > - 0 0 22 -2,-0.3 4,-0.8 3,-0.1 3,-0.7 -0.103 48.4 -96.5 -65.6 169.7 54.7 1.6 124.2 119 148 A P T 34>S+ 0 0 4 0, 0.0 5,-0.5 0, 0.0 4,-0.4 0.876 127.8 41.1 -55.8 -42.2 58.4 2.1 125.0 120 149 A X T 345S+ 0 0 156 1,-0.2 -2,-0.0 2,-0.1 10,-0.0 0.592 119.8 46.5 -80.3 -12.5 58.5 -0.7 127.6 121 150 A E T <45S+ 0 0 130 -3,-0.7 -1,-0.2 1,-0.1 -3,-0.1 0.358 92.4 79.5-111.9 2.2 56.3 -2.9 125.4 122 151 A A T <5S- 0 0 24 -4,-0.8 -2,-0.1 -3,-0.4 -1,-0.1 0.838 99.4-114.7 -83.7 -36.0 58.1 -2.5 122.1 123 152 A G T 5 + 0 0 51 -4,-0.4 2,-0.1 1,-0.2 -3,-0.1 0.688 48.1 171.3 106.7 26.8 60.9 -4.9 122.7 124 153 A F < - 0 0 25 -5,-0.5 -1,-0.2 -37,-0.2 -37,-0.1 -0.420 20.1-163.6 -69.0 141.0 63.9 -2.6 122.7 125 154 A V + 0 0 91 -2,-0.1 -1,-0.1 1,-0.1 -38,-0.1 0.919 69.7 77.2 -88.1 -58.3 67.2 -4.1 123.8 126 155 A L >> - 0 0 42 1,-0.2 4,-1.2 2,-0.1 3,-1.0 -0.396 66.3-159.1 -59.8 110.7 69.4 -1.0 124.5 127 156 A P H 3> S+ 0 0 96 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.814 87.1 65.0 -63.1 -33.3 68.1 0.2 128.0 128 157 A D H 3> S+ 0 0 95 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.811 101.5 52.1 -59.7 -30.5 69.5 3.7 127.4 129 158 A L H <> S+ 0 0 0 -3,-1.0 4,-1.7 2,-0.2 -1,-0.2 0.965 106.9 48.1 -71.2 -54.8 67.0 4.1 124.6 130 159 A V H X S+ 0 0 26 -4,-1.2 4,-0.8 1,-0.2 -2,-0.2 0.803 114.3 50.3 -56.7 -29.9 63.8 3.1 126.5 131 160 A S H >X S+ 0 0 60 -4,-1.7 4,-1.3 2,-0.2 3,-0.6 0.923 107.3 50.8 -74.1 -46.3 65.0 5.4 129.3 132 161 A R H 3< S+ 0 0 55 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.751 108.0 55.7 -63.0 -24.3 65.5 8.4 127.0 133 162 A X H >< S+ 0 0 2 -4,-1.7 3,-0.7 1,-0.2 -1,-0.2 0.772 102.2 54.6 -80.8 -27.6 62.1 7.8 125.6 134 163 A H H << S+ 0 0 88 -4,-0.8 -2,-0.2 -3,-0.6 -1,-0.2 0.805 96.0 67.1 -71.8 -30.2 60.5 8.1 129.0 135 164 A W T 3< S+ 0 0 207 -4,-1.3 -1,-0.2 2,-0.1 -2,-0.2 0.636 104.0 52.8 -67.8 -13.2 62.1 11.5 129.4 136 165 A G S < S- 0 0 19 -3,-0.7 2,-0.3 -4,-0.2 -111,-0.2 -0.060 107.6 -74.6 -94.8-155.3 59.8 12.7 126.7 137 166 A L E -b 25 0A 72 -113,-2.4 -111,-0.6 -2,-0.1 2,-0.4 -0.740 37.5-160.0-102.7 157.0 56.1 12.3 126.5 138 167 A T E -b 26 0A 61 -2,-0.3 2,-0.4 -113,-0.2 -111,-0.2 -0.942 9.7-179.4-141.8 117.1 54.2 9.1 125.7 139 168 A Y E -b 27 0A 32 -113,-1.9 -111,-1.6 -2,-0.4 2,-0.6 -0.945 18.8-144.2-118.5 136.9 50.6 9.0 124.5 140 169 A Q E -b 28 0A 96 -2,-0.4 2,-0.7 -113,-0.2 -111,-0.2 -0.888 15.3-144.4 -98.8 119.2 48.5 5.9 123.7 141 170 A L - 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0 0 15 -5,-2.2 2,-0.4 -6,-0.2 -2,-0.2 -0.966 52.8-144.3-118.5 130.8 62.3 16.1 100.7 375 192 B Q - 0 0 148 -2,-0.4 38,-0.4 -3,-0.1 -8,-0.1 -0.797 5.9-156.5 -94.3 133.4 62.5 18.8 98.0 376 193 B L - 0 0 6 -2,-0.4 5,-0.1 -10,-0.2 -6,-0.1 -0.877 20.0-132.2-109.8 98.8 60.6 18.3 94.7 377 194 B P >> - 0 0 29 0, 0.0 4,-2.2 0, 0.0 3,-0.7 -0.209 19.7-122.3 -47.5 133.9 62.2 20.3 91.9 378 195 B E H 3> S+ 0 0 119 1,-0.3 4,-0.9 2,-0.2 -12,-0.0 0.806 111.7 50.2 -52.2 -33.8 59.5 22.2 90.1 379 196 B D H 3> S+ 0 0 96 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.842 108.6 50.8 -77.1 -34.1 60.5 20.5 86.8 380 197 B V H <> S+ 0 0 2 -3,-0.7 4,-1.7 1,-0.2 -2,-0.2 0.901 106.9 54.3 -68.3 -42.2 60.4 17.0 88.2 381 198 B G H X S+ 0 0 0 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.795 106.9 52.1 -62.5 -29.1 56.9 17.6 89.7 382 199 B R H X S+ 0 0 94 -4,-0.9 4,-0.6 -5,-0.2 -1,-0.2 0.836 103.7 55.7 -77.4 -34.7 55.6 18.6 86.3 383 200 B F H >< S+ 0 0 24 -4,-1.4 3,-0.8 1,-0.2 -2,-0.2 0.886 107.0 53.4 -59.1 -37.7 57.0 15.4 84.7 384 201 B L H >X S+ 0 0 3 -4,-1.7 4,-2.4 1,-0.2 3,-1.8 0.908 102.3 55.7 -63.7 -43.3 54.9 13.7 87.4 385 202 B L H 3< S+ 0 0 8 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.607 104.8 55.6 -68.9 -10.1 51.7 15.5 86.4 386 203 B N T << S+ 0 0 108 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.221 116.8 32.3-105.4 13.6 52.2 14.3 82.8 387 204 B R T <4 S+ 0 0 144 -3,-1.8 -2,-0.2 37,-0.0 -3,-0.1 0.559 105.0 70.6-132.9 -39.5 52.3 10.6 83.8 388 205 B X S < S- 0 0 35 -4,-2.4 7,-0.0 1,-0.1 0, 0.0 -0.232 93.4-102.6 -79.5 172.2 50.1 10.1 86.8 389 206 B A - 0 0 67 2,-0.1 3,-0.1 1,-0.1 -1,-0.1 0.687 48.4-131.6 -68.3 -17.7 46.3 10.2 86.8 390 207 B R + 0 0 89 1,-0.3 -1,-0.1 -6,-0.2 2,-0.1 0.152 66.5 126.1 86.4 -18.8 46.7 13.7 88.3 391 208 B D S >> S- 0 0 57 1,-0.1 4,-2.1 4,-0.1 3,-0.5 -0.447 72.4-117.8 -68.6 149.0 44.2 13.0 91.1 392 209 B L H 3> S+ 0 0 63 1,-0.2 4,-2.0 2,-0.2 5,-0.3 0.724 108.7 63.5 -68.4 -22.4 45.6 13.6 94.5 393 210 B R H 3> S+ 0 0 200 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.942 112.2 35.1 -64.4 -45.9 45.3 10.0 95.7 394 211 B T H <> S+ 0 0 51 -3,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.850 120.6 48.7 -78.0 -35.6 47.7 8.8 93.1 395 212 B L H X S+ 0 0 3 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.985 113.6 44.0 -67.1 -60.1 50.0 11.8 93.1 396 213 B F H X S+ 0 0 53 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.841 115.4 51.8 -51.1 -37.5 50.4 12.0 96.9 397 214 B D H X S+ 0 0 80 -4,-1.1 4,-1.6 -5,-0.3 -1,-0.2 0.924 107.3 50.0 -68.4 -45.6 50.9 8.2 96.9 398 215 B V H X S+ 0 0 10 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.779 105.7 59.0 -64.7 -27.3 53.6 8.3 94.3 399 216 B L H X S+ 0 0 2 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.939 103.7 50.5 -64.5 -47.4 55.3 11.0 96.3 400 217 B D H X S+ 0 0 36 -4,-1.5 4,-1.7 1,-0.2 -2,-0.2 0.870 111.2 50.2 -55.6 -39.0 55.6 8.6 99.2 401 218 B R H X S+ 0 0 127 -4,-1.6 4,-1.5 1,-0.2 -1,-0.2 0.901 111.2 46.0 -68.4 -43.1 57.0 6.0 96.9 402 219 B L H X S+ 0 0 1 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.697 110.7 54.6 -75.4 -20.1 59.7 8.3 95.4 403 220 B D H X S+ 0 0 3 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.861 109.8 45.0 -80.6 -38.2 60.6 9.6 98.9 404 221 B K H X S+ 0 0 65 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.805 114.2 51.1 -71.6 -29.5 61.3 6.1 100.2 405 222 B A H X S+ 0 0 15 -4,-1.5 4,-1.5 2,-0.2 6,-0.2 0.836 107.4 54.6 -72.4 -33.5 63.1 5.5 96.9 406 223 B S H X>S+ 0 0 14 -4,-1.2 5,-1.6 1,-0.2 4,-0.6 0.908 110.5 43.3 -67.2 -44.8 65.1 8.6 97.6 407 224 B X H <5S+ 0 0 7 -4,-1.9 -342,-0.3 3,-0.2 -1,-0.2 0.864 109.8 57.1 -70.1 -37.5 66.3 7.5 101.0 408 225 B V H <5S+ 0 0 51 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.871 122.3 26.6 -61.3 -37.9 67.1 4.0 99.9 409 226 B H H <5S- 0 0 95 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.371 99.7-132.8-105.1 2.1 69.5 5.3 97.2 410 227 B Q T <5 + 0 0 119 -4,-0.6 2,-0.4 1,-0.2 -3,-0.2 0.888 60.5 140.6 42.6 45.8 70.3 8.5 99.1 411 228 B R < - 0 0 103 -5,-1.6 -1,-0.2 -6,-0.2 -2,-0.2 -0.952 55.2-117.0-120.2 138.5 69.7 10.3 95.8 412 229 B K - 0 0 166 -2,-0.4 2,-0.4 1,-0.1 5,-0.1 -0.337 44.5 -90.7 -67.6 151.7 68.0 13.7 95.2 413 230 B L + 0 0 3 -38,-0.4 2,-0.3 4,-0.1 -33,-0.1 -0.508 60.8 155.4 -68.9 120.4 64.8 13.7 93.2 414 231 B T > - 0 0 37 -2,-0.4 4,-2.4 -34,-0.1 5,-0.2 -0.903 53.9-107.5-137.5 168.4 65.5 14.2 89.4 415 232 B I H > S+ 0 0 49 -2,-0.3 4,-2.1 2,-0.2 5,-0.1 0.890 118.9 48.7 -68.2 -40.7 63.6 13.3 86.2 416 233 B P H > S+ 0 0 90 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.914 114.5 46.8 -61.8 -41.6 66.1 10.5 85.3 417 234 B F H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.876 111.2 50.6 -67.8 -40.4 65.9 9.0 88.8 418 235 B V H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.897 108.8 52.7 -65.3 -41.1 62.1 9.2 88.9 419 236 B K H <>S+ 0 0 82 -4,-2.1 5,-2.0 1,-0.2 4,-0.4 0.929 110.0 48.3 -57.1 -47.5 61.9 7.5 85.5 420 237 B E H <5S+ 0 0 97 -4,-1.9 3,-0.3 1,-0.2 -1,-0.2 0.848 114.8 45.3 -63.5 -35.5 64.0 4.6 86.8 421 238 B X H <5S+ 0 0 45 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.799 119.0 39.5 -80.3 -31.2 62.0 4.3 90.0 422 239 B L T <5S- 0 0 22 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.217 109.4-117.6-105.3 12.6 58.5 4.4 88.3 423 240 B R T 5 0 0 204 -4,-0.4 -3,-0.2 -3,-0.3 -4,-0.1 0.960 360.0 360.0 48.8 66.6 59.6 2.3 85.3 424 241 B L < 0 0 113 -5,-2.0 -1,-0.2 -6,-0.1 -2,-0.1 -0.966 360.0 360.0-127.7 360.0 58.9 5.0 82.7