==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 14-AUG-08 3E61 . COMPND 2 MOLECULE: PUTATIVE TRANSCRIPTIONAL REPRESSOR OF RIBOSE OPER . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS SAPROPHYTICUS SUBSP. . AUTHOR J.B.BONANNO,J.FREEMAN,K.T.BAIN,S.CHANG,R.ROMERO,D.SMITH,S.WA . 480 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19859.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 364 75.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 69 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 2.1 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 . 1 0.2 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 . 1 0.2 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 . 31 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 181 37.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.9 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 0 0 0 0 0 0 3 1 1 5 2 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 0 6 2 3 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 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 2 0 0 0 1 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 61 A L 0 0 37 0, 0.0 56,-2.9 0, 0.0 57,-1.0 0.000 360.0 360.0 360.0 128.8 -15.8 8.5 57.8 2 62 A I E -ab 32 58A 0 29,-3.3 31,-3.9 54,-0.2 2,-0.5 -0.738 360.0-150.8-103.3 139.2 -13.8 9.1 54.7 3 63 A G E -ab 33 59A 1 55,-2.0 57,-3.1 -2,-0.3 2,-0.6 -0.954 13.6-169.6-104.3 126.2 -14.1 7.6 51.2 4 64 A L E -ab 34 60A 0 29,-3.4 31,-2.6 -2,-0.5 2,-0.8 -0.967 3.2-166.0-120.2 111.8 -10.8 7.4 49.3 5 65 A L E -a 35 0A 3 55,-2.8 57,-0.3 -2,-0.6 31,-0.2 -0.891 9.9-160.3-103.5 108.7 -11.2 6.4 45.7 6 66 A L E -a 36 0A 0 29,-3.0 31,-2.6 -2,-0.8 32,-0.6 -0.743 15.0-147.0 -92.9 137.3 -7.8 5.5 44.3 7 67 A P S S+ 0 0 6 0, 0.0 2,-0.2 0, 0.0 32,-0.2 0.809 90.3 7.1 -70.6 -29.3 -7.2 5.5 40.6 8 68 A D > - 0 0 33 30,-0.2 3,-2.0 3,-0.1 6,-0.3 -0.716 58.4-171.6-158.9 92.6 -4.7 2.6 40.6 9 69 A M T 3 S+ 0 0 10 -3,-0.3 6,-0.1 1,-0.3 -1,-0.1 0.646 87.5 64.5 -67.5 -12.3 -4.1 0.7 43.8 10 70 A S T 3 S+ 0 0 67 250,-0.1 -1,-0.3 4,-0.0 250,-0.1 0.401 83.2 90.3 -89.3 1.9 -1.2 -1.2 42.2 11 71 A N S X> S- 0 0 4 -3,-2.0 4,-1.7 1,-0.1 3,-0.9 -0.898 71.5-149.4 -97.5 110.6 0.7 2.1 41.9 12 72 A P H 3> S+ 0 0 11 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.734 94.7 66.9 -51.7 -27.4 2.9 2.7 45.0 13 73 A F H 3> S+ 0 0 14 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.972 106.8 39.3 -56.5 -51.6 2.4 6.5 44.5 14 74 A F H <> S+ 0 0 31 -3,-0.9 4,-2.3 -6,-0.3 -1,-0.2 0.835 112.2 55.5 -68.7 -36.1 -1.3 6.2 45.3 15 75 A T H X S+ 0 0 6 -4,-1.7 4,-1.0 -7,-0.2 -1,-0.2 0.857 109.0 49.8 -65.3 -31.6 -0.8 3.6 48.1 16 76 A L H X S+ 0 0 52 -4,-1.9 4,-2.1 -5,-0.2 3,-0.3 0.894 108.2 50.5 -70.9 -46.0 1.5 6.1 49.8 17 77 A I H X S+ 0 0 1 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.945 109.6 55.2 -47.6 -46.9 -1.0 8.9 49.4 18 78 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.768 104.7 50.7 -62.2 -33.5 -3.5 6.4 51.0 19 79 A R H X S+ 0 0 105 -4,-1.0 4,-2.4 -3,-0.3 -1,-0.2 0.885 107.7 52.7 -74.2 -41.9 -1.2 5.9 54.0 20 80 A G H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 5,-0.2 0.909 114.5 44.1 -53.0 -45.4 -0.9 9.6 54.6 21 81 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.938 114.5 47.5 -63.5 -50.3 -4.7 9.7 54.5 22 82 A E H X S+ 0 0 2 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.813 112.1 51.6 -63.4 -36.7 -5.2 6.6 56.8 23 83 A D H X S+ 0 0 48 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.961 113.8 39.5 -67.0 -60.2 -2.7 7.8 59.3 24 84 A V H X S+ 0 0 26 -4,-1.7 4,-1.5 -5,-0.2 -2,-0.2 0.936 118.3 50.9 -53.0 -51.5 -4.1 11.3 59.9 25 85 A A H <>S+ 0 0 0 -4,-2.6 5,-3.0 -5,-0.2 3,-0.3 0.917 110.8 46.7 -52.1 -48.4 -7.7 9.9 59.8 26 86 A L H ><5S+ 0 0 59 -4,-2.2 3,-1.3 1,-0.3 -1,-0.2 0.847 105.9 59.7 -72.8 -30.8 -7.0 7.2 62.3 27 87 A A H 3<5S+ 0 0 81 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.883 109.5 44.0 -55.9 -42.0 -5.3 9.6 64.6 28 88 A H T 3<5S- 0 0 137 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.052 123.7-101.5 -95.6 24.3 -8.6 11.7 64.7 29 89 A G T < 5S+ 0 0 76 -3,-1.3 2,-0.4 1,-0.2 -3,-0.2 0.715 76.5 141.6 62.4 24.9 -10.8 8.7 65.2 30 90 A Y < - 0 0 86 -5,-3.0 2,-0.3 -6,-0.2 -1,-0.2 -0.780 41.8-144.0 -96.2 138.8 -11.9 8.6 61.5 31 91 A Q - 0 0 28 -2,-0.4 -29,-3.3 264,-0.0 2,-0.4 -0.704 11.5-145.9 -92.3 154.4 -12.5 5.5 59.4 32 92 A V E -a 2 0A 5 -2,-0.3 2,-0.6 -31,-0.2 -29,-0.2 -0.982 5.0-154.3-121.6 126.6 -11.6 5.3 55.7 33 93 A L E -a 3 0A 2 -31,-3.9 -29,-3.4 -2,-0.4 2,-0.5 -0.920 22.9-159.6 -91.5 121.2 -13.5 3.4 53.0 34 94 A I E +aC 4 279A 3 245,-0.7 245,-1.9 -2,-0.6 2,-0.3 -0.917 14.2 174.9-108.8 130.8 -10.9 2.6 50.3 35 95 A G E -a 5 0A 2 -31,-2.6 -29,-3.0 -2,-0.5 2,-0.5 -0.931 24.3-138.7-134.5 152.4 -11.9 1.8 46.7 36 96 A N E +a 6 0A 3 -2,-0.3 241,-0.1 241,-0.3 11,-0.1 -0.952 16.5 177.6-115.5 117.5 -10.0 1.2 43.4 37 97 A S > - 0 0 0 -31,-2.6 3,-2.3 -2,-0.5 7,-0.4 0.713 24.1-150.3 -92.0 -18.5 -11.6 2.6 40.3 38 98 A D T 3 - 0 0 83 -32,-0.6 -30,-0.2 1,-0.3 3,-0.1 0.771 66.3 -75.4 52.7 29.3 -8.8 1.5 37.9 39 99 A N T 3 S+ 0 0 44 1,-0.2 2,-0.5 -32,-0.2 -1,-0.3 0.833 99.5 141.6 41.5 42.0 -9.9 4.7 36.0 40 100 A D <> - 0 0 73 -3,-2.3 4,-2.7 1,-0.1 -1,-0.2 -0.947 50.7-146.3-105.5 122.5 -12.9 2.7 34.9 41 101 A I H > S+ 0 0 131 -2,-0.5 4,-2.2 1,-0.2 5,-0.2 0.842 99.8 52.3 -61.2 -33.2 -16.1 4.9 34.9 42 102 A K H > S+ 0 0 61 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.917 112.9 44.4 -68.5 -41.6 -18.2 1.9 35.9 43 103 A K H > S+ 0 0 21 -6,-0.3 4,-2.6 2,-0.2 5,-0.2 0.920 112.8 50.8 -65.8 -44.6 -16.0 1.2 38.9 44 104 A A H X S+ 0 0 1 -4,-2.7 4,-2.5 -7,-0.4 5,-0.2 0.943 112.5 46.6 -55.2 -53.4 -15.7 4.8 40.0 45 105 A Q H X S+ 0 0 123 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.898 111.7 53.2 -58.4 -44.0 -19.5 5.2 39.8 46 106 A G H X S+ 0 0 14 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.959 113.2 40.3 -53.9 -60.9 -19.9 1.9 41.8 47 107 A Y H X S+ 0 0 1 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.876 114.8 51.3 -57.2 -43.2 -17.6 2.9 44.7 48 108 A L H X S+ 0 0 2 -4,-2.5 4,-1.2 -5,-0.2 -1,-0.2 0.881 109.3 51.3 -66.1 -39.5 -18.8 6.5 44.9 49 109 A A H X S+ 0 0 53 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.902 112.6 46.7 -57.9 -49.1 -22.4 5.3 45.0 50 110 A T H X S+ 0 0 22 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.913 106.8 55.4 -61.4 -47.8 -21.6 2.9 47.9 51 111 A F H <>S+ 0 0 1 -4,-2.8 5,-2.2 1,-0.2 -1,-0.2 0.788 111.2 47.8 -56.4 -29.1 -19.6 5.5 49.8 52 112 A V H ><5S+ 0 0 29 -4,-1.2 3,-2.0 -5,-0.2 -2,-0.2 0.926 107.1 55.0 -75.3 -46.0 -22.8 7.6 49.6 53 113 A S H 3<5S+ 0 0 96 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.800 109.1 49.9 -46.9 -36.5 -24.9 4.6 50.7 54 114 A H T 3<5S- 0 0 47 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.080 115.6-112.7-104.2 17.6 -22.7 4.4 53.8 55 115 A N T < 5 - 0 0 82 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.808 39.9-170.3 54.0 45.2 -22.8 8.0 54.8 56 116 A C < - 0 0 6 -5,-2.2 -54,-0.2 1,-0.1 -1,-0.2 -0.361 17.2-147.8 -59.2 142.7 -19.2 9.1 54.2 57 117 A T S S- 0 0 48 -56,-2.9 2,-0.3 1,-0.3 -55,-0.2 0.584 76.6 -2.0 -86.4 -18.1 -18.5 12.6 55.6 58 118 A G E -b 2 0A 0 -57,-1.0 -55,-2.0 20,-0.2 2,-0.4 -0.952 66.4-140.0-173.3 151.4 -16.0 13.5 52.9 59 119 A M E -bd 3 80A 7 20,-2.0 22,-2.0 -2,-0.3 2,-0.4 -0.948 2.8-159.2-129.6 148.5 -14.4 12.0 49.9 60 120 A I E +bd 4 81A 0 -57,-3.1 -55,-2.8 -2,-0.4 2,-0.3 -0.988 34.7 125.9-125.1 129.6 -10.9 12.1 48.4 61 121 A S E - d 0 82A 0 20,-2.2 22,-2.7 -2,-0.4 23,-0.3 -0.896 53.3 -85.3-159.8-173.1 -10.4 11.2 44.8 62 122 A T > - 0 0 12 -57,-0.3 3,-2.0 -2,-0.3 19,-0.0 -0.702 44.2-104.1-103.8 162.8 -8.8 12.4 41.5 63 123 A A G > S+ 0 0 10 1,-0.3 3,-1.2 -2,-0.3 4,-0.2 0.503 106.8 86.3 -71.8 -3.5 -10.5 14.7 39.0 64 124 A F G 3 S+ 0 0 78 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.808 98.6 44.8 -53.0 -27.2 -11.3 11.7 36.6 65 125 A N G X> S+ 0 0 7 -3,-2.0 4,-2.2 1,-0.2 3,-0.6 0.319 75.9 116.2-104.2 4.1 -14.3 11.6 38.9 66 126 A E H <> S+ 0 0 21 -3,-1.2 4,-3.2 1,-0.2 5,-0.3 0.811 71.9 56.6 -48.3 -47.8 -15.4 15.2 39.2 67 127 A N H 3> S+ 0 0 149 -4,-0.2 4,-2.1 -3,-0.2 -1,-0.2 0.936 115.2 38.1 -52.6 -48.1 -18.9 14.9 37.5 68 128 A I H <> S+ 0 0 59 -3,-0.6 4,-2.5 2,-0.2 -2,-0.2 0.930 115.5 51.5 -72.0 -45.2 -20.0 12.2 40.0 69 129 A I H X S+ 0 0 5 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.930 112.7 48.0 -54.1 -47.9 -18.3 13.7 43.0 70 130 A E H X S+ 0 0 89 -4,-3.2 4,-2.1 2,-0.2 3,-0.5 0.913 110.9 48.6 -59.7 -50.1 -20.0 17.1 42.2 71 131 A N H X S+ 0 0 114 -4,-2.1 4,-2.7 -5,-0.3 5,-0.2 0.893 110.6 52.3 -57.7 -41.0 -23.4 15.6 41.7 72 132 A T H X S+ 0 0 9 -4,-2.5 4,-0.9 2,-0.2 -1,-0.2 0.685 106.6 54.6 -68.8 -24.5 -23.0 13.7 45.0 73 133 A L H < S+ 0 0 68 -4,-1.2 -2,-0.2 -3,-0.5 -1,-0.2 0.951 114.1 39.0 -69.0 -53.7 -22.1 17.0 46.8 74 134 A T H < S+ 0 0 116 -4,-2.1 -2,-0.2 2,-0.2 -3,-0.1 0.919 120.8 43.9 -63.1 -46.0 -25.4 18.7 45.6 75 135 A D H < 0 0 114 -4,-2.7 -1,-0.2 -5,-0.2 -3,-0.2 0.775 360.0 360.0 -72.6 -28.0 -27.6 15.6 46.0 76 136 A H < 0 0 109 -4,-0.9 -2,-0.2 -5,-0.2 -3,-0.2 0.292 360.0 360.0-135.5 360.0 -26.0 14.8 49.5 77 ! 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 78 138 A I 0 0 33 0, 0.0 -20,-0.2 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 105.6 -20.6 15.4 51.2 79 139 A P - 0 0 67 0, 0.0 -20,-2.0 0, 0.0 2,-0.3 -0.315 360.0-166.7 -68.0 158.1 -17.5 17.6 50.8 80 140 A F E -d 59 0A 47 -22,-0.2 2,-0.3 2,-0.0 -20,-0.2 -0.932 17.9-151.7-140.6 164.4 -14.6 16.3 48.7 81 141 A V E -d 60 0A 15 -22,-2.0 -20,-2.2 -2,-0.3 2,-0.7 -0.990 16.0-139.9-135.6 136.6 -10.9 17.0 47.9 82 142 A F E > -d 61 0A 18 -2,-0.3 3,-2.6 -22,-0.2 4,-0.4 -0.866 7.9-156.4 -94.0 109.8 -9.2 16.1 44.6 83 143 A I G > S+ 0 0 6 -22,-2.7 3,-0.9 -2,-0.7 -21,-0.2 0.843 92.3 57.8 -56.9 -35.1 -5.7 14.7 45.3 84 144 A D G 3 S+ 0 0 34 -23,-0.3 -1,-0.3 1,-0.2 5,-0.2 0.490 107.5 49.6 -73.3 -0.2 -4.4 15.7 41.8 85 145 A R G < 0 0 157 -3,-2.6 -1,-0.2 3,-0.1 -2,-0.2 0.358 360.0 360.0-122.4 5.4 -5.3 19.4 42.5 86 146 A I < 0 0 81 -3,-0.9 -2,-0.1 -4,-0.4 -3,-0.1 0.983 360.0 360.0 -68.7 360.0 -3.8 20.2 45.9 87 ! 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 88 156 A N > 0 0 132 0, 0.0 4,-1.2 0, 0.0 140,-0.1 0.000 360.0 360.0 360.0 131.6 1.4 21.3 39.3 89 157 A H H > + 0 0 15 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.794 360.0 57.8 -81.6 -33.6 1.9 18.7 36.7 90 158 A F H > S+ 0 0 70 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.919 109.3 46.9 -60.6 -46.1 2.7 21.0 33.8 91 159 A K H > S+ 0 0 33 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.798 108.8 56.1 -62.6 -36.3 5.7 22.4 35.8 92 160 A G H X S+ 0 0 0 -4,-1.2 4,-1.6 2,-0.2 -2,-0.2 0.924 105.7 50.6 -60.8 -46.8 6.7 18.8 36.6 93 161 A G H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.833 107.9 53.4 -59.8 -36.9 6.8 18.0 32.9 94 162 A Q H X S+ 0 0 50 -4,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.897 106.9 52.0 -65.1 -42.5 9.0 21.1 32.4 95 163 A L H X S+ 0 0 60 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.797 108.2 51.6 -58.4 -36.8 11.4 19.9 35.1 96 164 A Q H X S+ 0 0 0 -4,-1.6 4,-1.7 1,-0.2 -2,-0.2 0.926 111.3 46.6 -69.2 -45.1 11.7 16.5 33.4 97 165 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.826 109.7 55.3 -64.7 -31.1 12.5 18.1 30.0 98 166 A E H X S+ 0 0 47 -4,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.860 105.5 50.9 -75.2 -38.2 15.1 20.4 31.8 99 167 A V H X S+ 0 0 11 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.905 110.0 51.3 -56.3 -44.2 17.0 17.4 33.3 100 168 A V H <>S+ 0 0 3 -4,-1.7 5,-2.4 2,-0.2 3,-0.2 0.935 111.9 46.6 -61.7 -44.3 17.0 15.9 29.8 101 169 A R H ><5S+ 0 0 59 -4,-2.1 3,-2.3 1,-0.2 -2,-0.2 0.919 108.5 54.4 -64.6 -43.8 18.5 19.2 28.4 102 170 A K H 3<5S+ 0 0 84 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.798 106.9 53.4 -60.1 -27.5 21.0 19.4 31.2 103 171 A G T 3<5S- 0 0 5 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.271 120.5-112.2 -89.9 10.8 22.1 15.9 30.1 104 172 A K T < 5 - 0 0 190 -3,-2.3 -3,-0.2 1,-0.2 -2,-0.1 0.793 48.5-176.9 66.6 33.5 22.5 17.1 26.5 105 173 A G < + 0 0 24 -5,-2.4 -1,-0.2 1,-0.2 3,-0.1 -0.344 15.2 168.7 -63.0 142.0 19.6 15.0 25.2 106 174 A K + 0 0 55 1,-0.3 2,-0.5 52,-0.2 -1,-0.2 0.685 69.8 33.9-119.2 -44.4 19.2 15.3 21.4 107 175 A N S S- 0 0 56 51,-0.3 53,-2.5 2,-0.0 54,-1.5 -0.976 78.9-172.1-123.5 109.6 16.7 12.5 20.5 108 176 A V E -ij 136 161B 4 27,-2.4 29,-1.7 -2,-0.5 2,-0.5 -0.856 17.1-154.8-116.7 137.3 14.1 12.0 23.2 109 177 A L E -ij 137 162B 0 52,-2.7 54,-2.8 -2,-0.4 2,-0.8 -0.953 8.2-154.5-110.2 129.0 11.3 9.4 23.6 110 178 A I E -ij 138 163B 1 27,-2.9 29,-2.7 -2,-0.5 2,-0.7 -0.899 10.3-168.4-101.8 104.7 8.3 10.4 25.7 111 179 A V E -ij 139 164B 1 52,-2.4 54,-1.6 -2,-0.8 2,-0.3 -0.858 20.0-175.0 -96.1 115.3 7.0 7.1 27.1 112 180 A H E -i 140 0B 21 27,-2.3 29,-2.5 -2,-0.7 30,-0.2 -0.861 27.4-132.6-124.4 149.9 3.6 8.0 28.5 113 181 A E S S- 0 0 54 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 -0.109 70.1 -43.9 -74.5-175.1 0.7 6.6 30.5 114 182 A N > - 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0 0 21 -5,-2.5 -1,-0.2 -6,-0.1 2,-0.1 -0.876 42.7-120.8 -93.4 127.4 25.7 -25.5 53.4 385 205 B D E +o 355 0D 116 -31,-1.0 -29,-2.3 -2,-0.5 2,-0.3 -0.419 38.4 172.3 -66.5 138.1 26.7 -22.5 55.7 386 206 B Y E -o 356 0D 56 -31,-0.2 2,-0.3 -2,-0.1 -29,-0.2 -0.990 20.7-159.9-147.5 156.4 24.1 -19.7 56.2 387 207 B K E -o 357 0D 118 -31,-2.1 -29,-3.1 -2,-0.3 2,-0.4 -0.951 20.0-130.5-132.0 153.6 23.6 -16.6 58.3 388 208 B M E -o 358 0D 69 -2,-0.3 2,-0.4 -31,-0.2 -29,-0.2 -0.910 22.7-177.7-111.5 132.6 20.3 -14.8 58.9 389 209 B L E -o 359 0D 16 -31,-3.1 -29,-2.3 -2,-0.4 2,-0.3 -0.989 25.7-126.7-129.6 125.0 20.0 -11.0 58.5 390 210 B E E > -o 360 0D 78 -2,-0.4 3,-2.0 -31,-0.2 -29,-0.2 -0.540 24.7-123.1 -71.9 137.7 16.9 -8.9 59.2 391 211 B A G > S+ 0 0 17 -31,-2.7 3,-1.6 1,-0.3 4,-0.2 0.658 104.1 69.9 -62.6 -20.1 15.8 -6.8 56.2 392 212 B T G > S+ 0 0 98 1,-0.3 3,-2.9 -32,-0.2 -1,-0.3 0.909 86.9 66.6 -58.5 -37.5 16.0 -3.5 58.1 393 213 B L G < S+ 0 0 106 -3,-2.0 3,-0.3 1,-0.3 -1,-0.3 0.479 84.3 76.0 -72.1 3.7 19.7 -3.8 58.3 394 214 B L G < S+ 0 0 7 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.694 73.3 82.8 -72.6 -26.7 19.6 -3.3 54.5 395 215 B D S < S+ 0 0 155 -3,-2.9 2,-0.8 -4,-0.2 -2,-0.2 0.745 86.8 54.3 -54.4 -34.4 18.9 0.5 55.1 396 216 B N S > S- 0 0 100 -3,-0.3 4,-1.7 -4,-0.2 3,-0.4 -0.844 74.4-172.5 -97.7 96.4 22.7 1.2 55.5 397 217 B D H > S+ 0 0 36 -2,-0.8 4,-2.3 1,-0.2 5,-0.2 0.875 77.0 55.4 -71.1 -32.8 24.1 -0.2 52.3 398 218 B K H > S+ 0 0 127 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.895 108.8 50.0 -60.3 -39.7 27.8 0.2 53.0 399 219 B K H > S+ 0 0 46 -3,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.872 108.7 52.8 -66.7 -36.8 27.4 -1.8 56.3 400 220 B F H X S+ 0 0 3 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.955 109.4 49.0 -59.6 -48.0 25.6 -4.5 54.3 401 221 B I H X S+ 0 0 3 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.871 106.4 56.0 -59.9 -40.0 28.4 -4.7 51.9 402 222 B D H X S+ 0 0 91 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.908 110.5 46.2 -58.3 -41.8 31.0 -5.0 54.7 403 223 B L H X S+ 0 0 58 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.936 109.8 52.4 -68.5 -49.7 29.1 -8.0 56.0 404 224 B I H <>S+ 0 0 2 -4,-2.6 5,-1.8 2,-0.2 4,-0.4 0.881 114.2 44.3 -48.5 -46.5 28.8 -9.6 52.5 405 225 B K H ><5S+ 0 0 115 -4,-2.4 3,-1.0 3,-0.2 -2,-0.2 0.949 112.8 49.9 -67.6 -47.8 32.6 -9.3 52.0 406 226 B E H 3<5S+ 0 0 153 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.851 118.0 39.6 -60.1 -40.7 33.5 -10.5 55.5 407 227 B L T 3<5S- 0 0 47 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.445 103.4-130.4 -87.8 -4.5 31.3 -13.6 55.2 408 228 B S T < 5 - 0 0 79 -3,-1.0 -53,-0.2 -4,-0.4 -3,-0.2 0.890 34.8-167.0 52.7 42.0 32.2 -14.2 51.5 409 229 B I < + 0 0 12 -5,-1.8 -53,-0.2 -6,-0.2 -1,-0.2 -0.367 25.0 168.1 -62.0 136.7 28.5 -14.5 50.7 410 230 B D + 0 0 24 -55,-2.5 29,-2.2 1,-0.3 2,-0.3 0.394 65.7 44.2-126.9 -6.9 27.9 -16.0 47.2 411 231 B S E -pq 356 439D 0 -56,-1.5 -54,-2.6 27,-0.2 2,-0.5 -0.995 59.2-169.3-143.0 135.9 24.1 -16.6 47.6 412 232 B I E -pq 357 440D 0 27,-2.7 29,-2.2 -2,-0.3 2,-0.6 -0.968 3.1-166.6-130.7 119.4 21.3 -14.5 49.0 413 233 B I E -pq 358 441D 1 -56,-2.3 -54,-2.4 -2,-0.5 2,-0.3 -0.913 13.7-163.3-106.1 124.7 17.8 -15.9 49.7 414 234 B C E -p 359 0D 1 27,-3.0 -54,-0.2 -2,-0.6 6,-0.0 -0.826 27.0-128.0-109.7 144.3 15.2 -13.2 50.3 415 235 B S S S- 0 0 4 -56,-1.7 2,-0.3 -2,-0.3 -55,-0.1 0.788 90.0 -3.3 -58.0 -35.0 11.7 -13.5 51.9 416 236 B N S > S- 0 0 3 25,-0.1 4,-1.8 1,-0.1 28,-0.2 -0.905 78.7 -93.9-150.0-176.0 10.1 -11.7 48.9 417 237 B D H > S+ 0 0 0 26,-1.6 4,-2.9 -2,-0.3 5,-0.3 0.785 117.5 60.9 -76.6 -28.8 10.9 -9.9 45.7 418 238 B L H > S+ 0 0 25 25,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.950 109.6 43.7 -61.4 -40.8 10.9 -6.4 47.3 419 239 B L H > S+ 0 0 13 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.933 114.5 49.6 -67.5 -42.8 13.9 -7.6 49.4 420 240 B A H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.907 111.8 48.1 -62.1 -44.5 15.6 -9.4 46.5 421 241 B I H X S+ 0 0 1 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.908 111.8 48.2 -64.5 -45.9 15.3 -6.3 44.3 422 242 B N H X S+ 0 0 41 -4,-2.0 4,-2.1 -5,-0.3 -2,-0.2 0.958 112.9 49.1 -57.9 -50.8 16.6 -4.0 46.9 423 243 B V H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.881 107.7 55.4 -55.2 -43.6 19.5 -6.4 47.6 424 244 B L H X S+ 0 0 3 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.926 108.2 47.8 -57.3 -47.6 20.3 -6.6 43.8 425 245 B G H X S+ 0 0 1 -4,-2.1 4,-2.2 -224,-0.4 -1,-0.2 0.866 111.8 51.8 -62.7 -42.6 20.6 -2.9 43.5 426 246 B I H X S+ 0 0 2 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.972 112.8 41.2 -61.9 -49.7 22.9 -2.8 46.6 427 247 B V H <>S+ 0 0 0 -4,-2.7 5,-2.4 1,-0.2 3,-0.3 0.900 116.3 50.1 -68.1 -35.6 25.3 -5.4 45.4 428 248 B Q H ><5S+ 0 0 30 -4,-2.5 3,-1.7 -5,-0.3 -1,-0.2 0.897 106.3 55.1 -67.5 -40.3 25.4 -4.1 41.8 429 249 B R H 3<5S+ 0 0 7 -4,-2.2 -186,-0.5 1,-0.3 -1,-0.2 0.753 109.2 48.7 -61.9 -28.4 26.0 -0.5 43.0 430 250 B Y T 3<5S- 0 0 20 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.099 124.6-105.7-101.7 16.2 29.1 -1.9 44.9 431 251 B H T < 5 + 0 0 100 -3,-1.7 2,-0.4 1,-0.2 -3,-0.2 0.819 65.8 150.6 69.3 39.9 30.3 -3.8 41.8 432 252 B F < - 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0 0 59 -2,-0.2 31,-1.3 -5,-0.1 2,-0.6 -0.394 32.3-104.3 -69.5 154.7 15.7 -10.5 36.1 456 276 B I - 0 0 0 -7,-3.2 2,-0.2 -8,-0.2 -15,-0.1 -0.710 23.1-133.2 -91.9 121.4 15.1 -11.8 39.6 457 277 B T B +r 441 0D 0 -17,-0.6 -15,-2.7 -2,-0.6 2,-0.2 -0.495 46.7 153.2 -64.3 131.7 14.7 -15.6 40.0 458 278 B T E - T 0 482E 0 24,-1.5 24,-2.6 -17,-0.2 2,-0.5 -0.779 46.8 -99.5-149.2-175.2 11.7 -16.0 42.2 459 279 B I E - T 0 481E 0 22,-0.2 -15,-2.8 -2,-0.2 2,-0.3 -0.985 27.3-145.4-122.9 115.2 8.7 -18.3 43.2 460 280 B D E -sT 444 480E 39 20,-2.8 20,-1.9 -2,-0.5 -15,-0.2 -0.637 14.9-175.9 -72.4 127.9 5.3 -17.6 41.7 461 281 B Q - 0 0 4 -17,-0.6 -126,-0.2 -2,-0.3 18,-0.1 -0.009 48.9-104.9-119.1 30.5 2.6 -18.4 44.3 462 282 B S > + 0 0 34 3,-0.1 4,-2.5 18,-0.1 5,-0.2 0.884 52.8 173.6 52.0 52.2 -0.5 -17.8 42.1 463 283 B A H > S+ 0 0 8 -19,-0.3 4,-1.8 2,-0.2 5,-0.1 0.860 72.4 48.6 -58.7 -45.9 -1.3 -14.5 43.8 464 284 B Y H > S+ 0 0 80 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.929 115.6 44.9 -59.4 -48.6 -4.2 -13.4 41.5 465 285 B H H > S+ 0 0 97 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.818 104.6 61.9 -69.6 -32.5 -5.8 -16.8 41.8 466 286 B L H X S+ 0 0 12 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.937 105.9 48.9 -52.6 -47.8 -5.3 -16.8 45.6 467 287 B G H X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.924 110.9 49.6 -58.3 -45.5 -7.5 -13.7 45.5 468 288 B E H X S+ 0 0 56 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.897 111.5 47.6 -58.8 -44.3 -10.1 -15.6 43.3 469 289 B I H X S+ 0 0 60 -4,-2.9 4,-4.2 2,-0.2 5,-0.3 0.889 107.1 57.2 -68.0 -41.1 -10.2 -18.7 45.6 470 290 B A H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.2 0.929 111.2 40.9 -58.8 -48.7 -10.6 -16.6 48.7 471 291 B V H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 5,-0.3 0.901 116.4 51.5 -70.0 -34.6 -13.7 -14.9 47.5 472 292 B S H X S+ 0 0 52 -4,-2.3 4,-3.1 2,-0.2 -2,-0.2 0.949 114.3 41.9 -60.5 -49.3 -14.9 -18.2 46.1 473 293 B Q H < S+ 0 0 89 -4,-4.2 -2,-0.2 1,-0.2 -1,-0.2 0.908 115.4 53.9 -60.7 -41.6 -14.4 -20.0 49.5 474 294 B L H < S+ 0 0 14 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.854 123.7 22.8 -62.9 -39.3 -15.8 -16.9 51.1 475 295 B L H < 0 0 60 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.789 360.0 360.0 -97.1 -38.7 -19.1 -16.9 49.1 476 296 B G < 0 0 100 -4,-3.1 -1,-0.3 -5,-0.3 -2,-0.1 -0.769 360.0 360.0 103.9 360.0 -19.5 -20.5 47.9 477 ! 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 0.0 478 310 B A 0 0 90 0, 0.0 2,-0.5 0, 0.0 -143,-0.1 0.000 360.0 360.0 360.0 129.6 0.5 -23.9 42.7 479 311 B L - 0 0 44 -18,-0.1 2,-0.4 -17,-0.1 -18,-0.2 -0.930 360.0-177.5-105.0 130.4 4.1 -22.9 43.4 480 312 B T E -T 460 0E 54 -20,-1.9 -20,-2.8 -2,-0.5 2,-0.4 -0.986 23.4-134.1-131.5 123.9 6.4 -22.5 40.4 481 313 B V E -T 459 0E 35 -2,-0.4 2,-0.8 -22,-0.2 -22,-0.2 -0.625 15.4-153.5 -68.3 121.9 10.1 -21.6 40.4 482 314 B K E -T 458 0E 76 -24,-2.6 -24,-1.5 -2,-0.4 2,-0.4 -0.896 11.6-153.1 -96.5 101.1 10.8 -18.9 37.8 483 315 B H + 0 0 131 -2,-0.8 2,-0.2 -26,-0.2 -27,-0.1 -0.639 29.9 156.7 -79.4 122.8 14.5 -19.5 36.8 484 316 B R > - 0 0 34 -2,-0.4 3,-1.4 -29,-0.1 -27,-0.2 -0.735 55.0 -74.4-142.1-176.2 16.0 -16.2 35.7 485 317 B G T 3 S+ 0 0 39 1,-0.3 -29,-0.1 -2,-0.2 -2,-0.1 0.667 111.1 73.0 -63.7 -16.9 19.3 -14.4 35.3 486 318 B S T 3 S+ 0 0 0 -31,-1.3 -46,-2.2 -47,-0.1 2,-0.3 0.532 92.9 61.1 -83.2 -2.0 19.9 -13.6 39.0 487 319 B T < 0 0 17 -3,-1.4 -51,-0.1 -48,-0.2 -139,-0.1 -0.856 360.0 360.0-123.6 158.5 20.9 -17.2 39.9 488 320 B R 0 0 97 -2,-0.3 -136,-0.1 -53,-0.2 -135,-0.1 -0.437 360.0 360.0 -90.9 360.0 23.7 -19.6 38.7