==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL ADHESION, TRANSPORT PROTEIN 22-MAY-09 3HJT . COMPND 2 MOLECULE: LMB; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS AGALACTIAE; . AUTHOR K.PONNURAJ,P.RAGUNATHAN,B.SPELLERBERG . 517 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25116.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 343 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 61 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.6 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 . 3 0.6 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 . 33 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 187 36.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.2 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 2 0 2 0 2 2 0 2 0 0 2 0 2 0 0 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 3 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 . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 31 A Q 0 0 248 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 121.0 20.8 -58.4 72.3 2 32 A G - 0 0 44 22,-0.1 22,-0.1 2,-0.1 2,-0.1 0.080 360.0 -64.7 96.4 147.7 20.6 -54.6 72.4 3 33 A M - 0 0 30 1,-0.1 22,-1.7 48,-0.1 2,-0.4 -0.365 49.6-114.5 -72.4 144.2 20.1 -52.5 75.5 4 34 A S E -a 25 0A 47 20,-0.2 49,-1.7 46,-0.1 48,-1.2 -0.650 34.1-169.3 -79.5 127.4 16.9 -52.7 77.5 5 35 A V E -ab 26 53A 1 20,-2.8 22,-0.9 -2,-0.4 2,-0.4 -0.889 5.3-169.8-116.5 147.5 15.0 -49.5 77.4 6 36 A V E -ab 27 54A 9 47,-1.7 49,-2.5 -2,-0.3 2,-0.3 -0.996 5.0-164.3-138.2 137.6 12.0 -48.6 79.6 7 37 A T E -ab 28 55A 0 20,-1.9 22,-2.3 -2,-0.4 49,-0.2 -0.882 21.4-129.4-125.2 156.2 9.6 -45.7 79.2 8 38 A S E S- 0 0 0 47,-1.7 22,-2.7 -2,-0.3 2,-0.2 0.984 76.1 -22.9 -67.5 -67.2 7.0 -44.0 81.5 9 39 A F E >> S-a 30 0A 0 20,-0.2 4,-2.2 19,-0.1 3,-0.9 -0.705 86.3 -63.3-135.6-168.9 3.8 -43.7 79.4 10 40 A Y H 3> S+ 0 0 19 20,-0.5 4,-2.9 227,-0.5 5,-0.3 0.855 122.1 52.4 -51.2 -53.4 2.7 -43.7 75.7 11 41 A P H 3> S+ 0 0 0 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.812 115.9 43.8 -57.5 -27.2 4.3 -40.5 74.3 12 42 A M H <> S+ 0 0 0 -3,-0.9 4,-2.3 2,-0.2 5,-0.4 0.882 113.1 50.2 -82.0 -42.0 7.7 -41.7 75.7 13 43 A Y H X S+ 0 0 67 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.963 113.7 46.4 -58.3 -53.1 7.3 -45.3 74.5 14 44 A A H X S+ 0 0 5 -4,-2.9 4,-2.8 2,-0.2 5,-0.3 0.945 114.8 45.6 -55.6 -54.5 6.4 -44.2 71.0 15 45 A M H X S+ 0 0 0 -4,-1.4 4,-1.8 -5,-0.3 5,-0.2 0.947 116.2 41.7 -58.3 -55.7 9.2 -41.6 70.6 16 46 A T H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.894 117.2 51.0 -62.9 -35.4 12.1 -43.7 71.9 17 47 A K H X S+ 0 0 73 -4,-2.3 4,-2.6 -5,-0.4 -2,-0.2 0.932 110.6 45.6 -66.4 -47.1 10.7 -46.7 70.0 18 48 A E H < S+ 0 0 52 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.804 117.5 47.0 -65.6 -29.4 10.3 -45.0 66.6 19 49 A V H < S+ 0 0 1 -4,-1.8 112,-0.3 -5,-0.3 -2,-0.2 0.857 113.9 45.3 -80.0 -39.9 13.8 -43.5 67.1 20 50 A S H >< S- 0 0 0 -4,-2.5 3,-1.2 1,-0.2 2,-0.5 0.857 87.3-175.1 -72.5 -36.0 15.5 -46.7 68.2 21 51 A G T 3< - 0 0 13 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.1 -0.647 65.6 -26.0 79.2-122.1 13.8 -48.7 65.4 22 52 A D T 3 S+ 0 0 151 -2,-0.5 -1,-0.2 1,-0.1 -2,-0.1 0.583 118.8 93.5-101.0 -15.2 14.6 -52.4 65.7 23 53 A L S < S+ 0 0 49 -3,-1.2 -2,-0.1 101,-0.1 2,-0.1 0.864 86.9 20.1 -45.7 -61.2 17.9 -51.8 67.6 24 54 A N S S- 0 0 18 -22,-0.1 2,-0.6 -7,-0.1 -20,-0.2 -0.284 81.8 -99.9-105.7-168.8 16.9 -52.0 71.2 25 55 A D E -a 4 0A 68 -22,-1.7 -20,-2.8 -2,-0.1 2,-0.4 -0.913 38.2-167.6-117.3 101.8 14.1 -53.4 73.3 26 56 A V E +a 5 0A 14 -2,-0.6 2,-0.3 -22,-0.2 -20,-0.2 -0.760 10.1 172.5 -95.4 131.9 11.6 -50.7 74.3 27 57 A R E -a 6 0A 148 -22,-0.9 -20,-1.9 -2,-0.4 2,-0.4 -0.868 19.7-136.3-130.6 165.4 8.9 -51.4 76.9 28 58 A M E -a 7 0A 49 -2,-0.3 3,-0.2 -22,-0.2 -20,-0.2 -0.966 5.8-157.8-130.1 142.5 6.4 -49.1 78.7 29 59 A I E S+ 0 0 27 -22,-2.3 2,-0.7 -2,-0.4 -20,-0.2 0.975 85.3 25.7 -78.4 -64.3 5.2 -48.8 82.3 30 60 A Q E +a 9 0A 43 -22,-2.7 -20,-0.5 -23,-0.2 -1,-0.3 -0.878 56.4 162.0-110.8 103.7 1.8 -47.2 82.1 31 61 A S + 0 0 65 -2,-0.7 208,-2.5 -3,-0.2 -1,-0.1 0.444 63.9 59.6 -96.4 -1.4 -0.1 -47.8 78.9 32 62 A G S S- 0 0 26 206,-0.2 3,-0.3 1,-0.2 -22,-0.2 -0.187 98.1 -55.7-108.3-158.4 -3.5 -46.9 80.4 33 63 A A S S+ 0 0 48 1,-0.2 -1,-0.2 205,-0.1 -2,-0.1 -0.414 98.9 55.7 -82.6 156.9 -5.1 -43.9 82.0 34 64 A G > + 0 0 27 -2,-0.1 4,-0.7 4,-0.1 3,-0.3 0.646 45.2 143.3 100.0 16.8 -3.8 -42.1 85.1 35 65 A I T 4 S+ 0 0 1 -3,-0.3 3,-0.1 1,-0.2 -2,-0.1 0.779 78.5 57.1 -57.9 -25.6 -0.2 -41.1 84.2 36 66 A H T 4 S+ 0 0 36 1,-0.2 -1,-0.2 26,-0.1 147,-0.0 0.923 118.0 27.8 -70.1 -47.7 -1.0 -38.0 86.2 37 67 A S T 4 S+ 0 0 53 -3,-0.3 -2,-0.2 25,-0.0 -1,-0.2 0.183 97.7 129.6-101.0 16.3 -1.9 -39.8 89.4 38 68 A F < - 0 0 33 -4,-0.7 26,-0.3 -3,-0.1 -4,-0.1 -0.432 33.3-177.2 -78.1 146.3 0.3 -42.8 88.7 39 69 A E - 0 0 134 -2,-0.1 -2,-0.0 24,-0.1 -3,-0.0 -0.988 31.8-112.0-139.3 128.4 2.8 -44.3 91.2 40 70 A P - 0 0 32 0, 0.0 2,-0.2 0, 0.0 -10,-0.0 -0.224 24.0-124.9 -65.8 150.6 5.1 -47.3 90.1 41 71 A S > - 0 0 57 1,-0.1 4,-2.1 0, 0.0 5,-0.3 -0.525 32.1-103.6 -88.6 161.5 4.7 -50.7 91.6 42 72 A V H > S+ 0 0 125 1,-0.3 4,-1.4 2,-0.2 5,-0.1 0.864 127.0 53.5 -53.0 -34.2 7.8 -52.4 93.1 43 73 A N H > S+ 0 0 127 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.919 104.1 54.6 -66.6 -42.9 7.9 -54.4 89.9 44 74 A D H > S+ 0 0 34 1,-0.2 4,-1.6 2,-0.2 3,-0.3 0.964 108.9 46.7 -54.5 -55.0 7.9 -51.3 87.8 45 75 A V H X S+ 0 0 36 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.788 109.7 56.3 -58.8 -28.9 10.9 -49.9 89.7 46 76 A A H X S+ 0 0 43 -4,-1.4 4,-1.6 -5,-0.3 -1,-0.2 0.915 104.9 49.4 -69.7 -44.8 12.7 -53.2 89.3 47 77 A A H < S+ 0 0 49 -4,-2.3 -1,-0.2 -3,-0.3 -2,-0.2 0.819 110.9 53.2 -63.3 -28.7 12.3 -53.3 85.6 48 78 A I H >< S+ 0 0 1 -4,-1.6 3,-0.7 -5,-0.2 -1,-0.2 0.881 109.7 46.6 -72.2 -39.1 13.8 -49.8 85.7 49 79 A Y H 3< S+ 0 0 72 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.670 112.4 49.8 -76.4 -19.1 16.8 -50.9 87.7 50 80 A D T 3< S+ 0 0 141 -4,-1.6 2,-0.3 -5,-0.1 -1,-0.2 0.342 98.2 91.1 -97.7 3.1 17.4 -53.9 85.4 51 81 A A S < S- 0 0 6 -3,-0.7 -46,-0.2 -5,-0.2 3,-0.1 -0.749 72.9-138.7-103.1 149.7 17.2 -51.7 82.3 52 82 A D S S+ 0 0 71 -48,-1.2 24,-1.5 -2,-0.3 2,-0.3 0.805 92.1 15.2 -71.7 -33.0 20.1 -49.9 80.6 53 83 A L E -bc 5 76A 0 -49,-1.7 -47,-1.7 22,-0.2 2,-0.5 -0.996 59.7-168.2-145.9 138.1 18.0 -46.7 80.0 54 84 A F E -bc 6 77A 0 22,-3.4 24,-2.3 -2,-0.3 2,-0.5 -0.930 14.2-165.3-128.5 106.4 14.7 -45.5 81.5 55 85 A V E +bc 7 78A 0 -49,-2.5 -47,-1.7 -2,-0.5 2,-0.3 -0.810 12.6 169.0-100.8 129.7 13.2 -42.5 79.8 56 86 A Y E - c 0 79A 7 22,-1.8 24,-1.7 -2,-0.5 25,-0.4 -0.918 34.7-123.3-129.6 157.6 10.4 -40.5 81.3 57 87 A H S S- 0 0 0 -2,-0.3 24,-1.9 22,-0.2 2,-0.3 0.983 71.3 -23.6 -68.0 -63.0 8.9 -37.1 80.2 58 88 A S > - 0 0 1 22,-0.1 4,-0.9 23,-0.1 3,-0.4 -0.920 40.6-121.2-149.1 172.1 9.3 -34.7 83.2 59 89 A H T 4 S+ 0 0 87 -2,-0.3 7,-0.1 1,-0.2 -1,-0.1 0.519 114.3 64.1 -90.4 -8.6 9.6 -34.2 86.9 60 90 A T T 4 S+ 0 0 45 2,-0.1 -1,-0.2 37,-0.0 3,-0.1 0.444 119.2 20.3 -90.5 -4.7 6.4 -32.2 86.6 61 91 A L T 4 S+ 0 0 11 -3,-0.4 2,-2.8 36,-0.1 3,-0.2 0.512 127.2 41.1-123.6 -78.4 4.6 -35.3 85.5 62 92 A E >< + 0 0 0 -4,-0.9 3,-2.0 1,-0.2 4,-0.4 -0.415 68.2 166.2 -75.2 70.1 6.4 -38.5 86.5 63 93 A A G > + 0 0 55 -2,-2.8 3,-1.0 1,-0.3 4,-0.4 0.791 67.5 67.4 -55.6 -29.9 7.2 -37.0 89.9 64 94 A W G > S+ 0 0 10 -26,-0.3 3,-0.6 1,-0.2 -1,-0.3 0.646 84.3 71.7 -67.6 -15.9 8.2 -40.5 91.1 65 95 A A G X S+ 0 0 3 -3,-2.0 3,-0.5 -7,-0.2 -1,-0.2 0.825 86.0 65.2 -70.5 -31.4 11.1 -40.6 88.8 66 96 A R G < S+ 0 0 145 -3,-1.0 2,-0.7 -4,-0.4 -1,-0.2 0.777 93.1 63.8 -61.6 -28.4 13.1 -38.1 90.9 67 97 A D G < S+ 0 0 120 -3,-0.6 2,-0.4 -4,-0.4 -1,-0.3 -0.344 76.3 106.0 -95.4 52.9 13.2 -40.6 93.8 68 98 A L < + 0 0 27 -2,-0.7 9,-0.1 -3,-0.5 -3,-0.0 -0.933 35.3 169.5-134.4 109.7 15.3 -43.3 92.1 69 99 A D 0 0 91 -2,-0.4 -3,-0.0 3,-0.0 -2,-0.0 -0.786 360.0 360.0-123.8 88.8 19.0 -43.7 93.1 70 100 A P 0 0 64 0, 0.0 4,-0.1 0, 0.0 -21,-0.0 0.253 360.0 360.0 -69.9 360.0 20.6 -46.9 91.7 71 ! 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 72 104 A K 0 0 135 0, 0.0 2,-0.3 0, 0.0 -23,-0.0 0.000 360.0 360.0 360.0 85.3 23.3 -50.3 92.4 73 105 A S - 0 0 44 2,-0.1 2,-1.3 -21,-0.0 -23,-0.1 -0.988 360.0-114.9-150.5 147.9 22.7 -50.9 88.6 74 106 A K + 0 0 90 -2,-0.3 2,-0.4 -4,-0.1 -24,-0.1 -0.088 68.6 139.9 -76.4 38.8 24.1 -49.4 85.4 75 107 A V - 0 0 11 -2,-1.3 2,-0.5 -26,-0.2 -22,-0.2 -0.706 44.0-144.7 -89.5 133.6 20.6 -47.9 84.6 76 108 A N E -c 53 0A 60 -24,-1.5 -22,-3.4 -2,-0.4 2,-0.6 -0.854 2.3-154.5-102.0 125.8 20.3 -44.4 83.2 77 109 A V E -c 54 0A 53 -2,-0.5 2,-0.5 -24,-0.2 -22,-0.2 -0.881 17.2-172.6 -97.1 122.3 17.4 -42.2 84.2 78 110 A F E -c 55 0A 12 -24,-2.3 -22,-1.8 -2,-0.6 2,-1.5 -0.938 18.8-155.2-123.6 109.2 16.8 -39.7 81.3 79 111 A E E > -c 56 0A 11 -2,-0.5 3,-1.8 -24,-0.2 -22,-0.2 -0.645 14.6-162.9 -81.7 90.1 14.3 -36.9 81.7 80 112 A A T 3 S+ 0 0 0 -24,-1.7 4,-0.2 -2,-1.5 -23,-0.2 0.662 80.0 57.0 -49.7 -24.5 13.5 -36.4 78.0 81 113 A S T 3 + 0 0 6 -24,-1.9 -1,-0.3 -25,-0.4 5,-0.2 0.142 67.7 116.2 -99.4 24.5 12.0 -32.9 78.4 82 114 A K S < S+ 0 0 118 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.1 0.887 77.9 45.6 -55.1 -46.2 15.0 -31.3 80.1 83 115 A P S S+ 0 0 84 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.962 93.3 90.7 -63.5 -55.5 15.6 -28.8 77.2 84 116 A L S S- 0 0 14 -4,-0.2 2,-0.8 1,-0.1 -3,-0.0 0.071 75.4-129.3 -43.6 150.1 12.0 -27.7 76.6 85 117 A T - 0 0 129 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.830 23.8-148.9-112.2 94.5 10.7 -24.7 78.5 86 118 A L - 0 0 31 -2,-0.8 2,-0.1 -5,-0.2 12,-0.0 -0.361 16.1-118.9 -65.3 134.2 7.4 -25.6 80.1 87 119 A D - 0 0 55 9,-0.4 9,-2.3 -2,-0.1 2,-0.1 -0.369 29.4-108.8 -72.3 152.4 4.8 -22.9 80.5 88 120 A R B -D 95 0B 181 7,-0.2 2,-0.5 1,-0.1 7,-0.3 -0.409 36.3-104.1 -77.0 156.0 3.6 -21.9 84.0 89 121 A V - 0 0 40 5,-3.0 5,-0.2 -2,-0.1 2,-0.1 -0.746 39.6-142.8 -86.7 129.5 0.1 -23.0 85.0 90 122 A K 0 0 129 -2,-0.5 -1,-0.0 1,-0.1 4,-0.0 -0.313 360.0 360.0 -86.2 170.1 -2.3 -20.0 85.0 91 123 A G 0 0 130 -2,-0.1 -1,-0.1 0, 0.0 -2,-0.0 0.537 360.0 360.0 114.0 360.0 -5.2 -19.1 87.3 92 ! 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 93 137 A T 0 0 104 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 0.000 360.0 360.0 360.0 136.3 4.1 -22.1 90.7 94 138 A L - 0 0 125 -5,-0.2 -5,-3.0 -4,-0.0 2,-0.3 -0.667 360.0-127.3-105.1 163.2 3.5 -25.4 88.8 95 139 A Y B -D 88 0B 101 -7,-0.3 -7,-0.2 -2,-0.2 -8,-0.1 -0.842 14.4-117.3-118.7 151.8 4.0 -26.1 85.1 96 140 A D - 0 0 4 -9,-2.3 -9,-0.4 -2,-0.3 -35,-0.1 -0.750 23.8-170.5 -83.9 111.4 1.9 -27.6 82.2 97 141 A P > + 0 0 1 0, 0.0 2,-3.0 0, 0.0 3,-0.5 0.651 54.2 108.6 -79.2 -14.8 3.7 -30.8 81.1 98 142 A H G > + 0 0 0 1,-0.2 3,-0.8 65,-0.2 69,-0.4 -0.073 32.4 123.7 -59.3 41.6 1.5 -31.3 78.0 99 143 A T G > + 0 0 1 -2,-3.0 3,-2.2 1,-0.2 7,-0.3 0.869 55.8 74.2 -71.9 -37.1 4.2 -30.4 75.4 100 144 A W G < S+ 0 0 0 -3,-0.5 -1,-0.2 1,-0.3 -2,-0.1 0.571 83.5 66.6 -55.6 -13.4 3.9 -33.7 73.5 101 145 A T G < S+ 0 0 0 -3,-0.8 -1,-0.3 63,-0.2 -2,-0.1 0.381 86.3 83.2 -89.4 5.1 0.6 -32.7 71.8 102 146 A D S <> S- 0 0 3 -3,-2.2 4,-2.8 1,-0.1 5,-0.3 -0.937 79.3-143.9-109.4 107.7 2.5 -30.0 70.0 103 147 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.802 96.8 46.8 -38.7 -47.3 4.1 -31.5 66.8 104 148 A V H > S+ 0 0 22 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.970 115.4 42.2 -64.3 -56.8 7.2 -29.3 67.1 105 149 A L H > S+ 0 0 27 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.814 116.9 51.1 -60.7 -32.2 7.9 -29.7 70.8 106 150 A A H >X S+ 0 0 0 -4,-2.8 4,-1.9 -7,-0.3 3,-0.5 0.924 110.2 48.2 -70.5 -46.5 7.1 -33.4 70.4 107 151 A G H 3X S+ 0 0 1 -4,-2.6 4,-1.1 -5,-0.3 -2,-0.2 0.873 112.4 48.6 -63.2 -36.6 9.5 -33.7 67.5 108 152 A E H 3X S+ 0 0 89 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.663 109.4 51.6 -81.4 -11.9 12.3 -32.0 69.3 109 153 A E H < + 0 0 30 -4,-1.2 3,-2.1 -5,-0.1 4,-0.3 -0.503 63.5 168.1-139.4 68.2 25.3 -46.7 72.1 122 166 A P G > S+ 0 0 90 0, 0.0 3,-0.6 0, 0.0 4,-0.2 0.680 70.6 76.6 -53.8 -22.6 27.8 -44.8 69.8 123 167 A K G 3 S+ 0 0 77 1,-0.2 3,-0.2 2,-0.1 -5,-0.1 0.858 112.3 23.2 -59.2 -34.2 28.1 -47.9 67.7 124 168 A H G X> 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25.1-157.2 -51.8 120.9 -5.9 -25.8 121.5 476 260 B P > + 0 0 49 0, 0.0 4,-3.7 0, 0.0 5,-0.3 0.361 66.4 105.4 -84.3 6.9 -3.5 -27.9 119.4 477 261 B K H > S+ 0 0 163 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.953 89.8 35.5 -49.5 -57.2 -1.0 -28.2 122.3 478 262 B I H > S+ 0 0 49 -3,-0.5 4,-2.2 2,-0.2 5,-0.3 0.871 114.4 58.3 -65.8 -37.6 -2.0 -31.8 122.9 479 263 B A H > S+ 0 0 0 -4,-0.4 4,-1.6 1,-0.2 -2,-0.2 0.926 109.6 45.2 -57.5 -43.5 -2.5 -32.3 119.2 480 264 B H H X S+ 0 0 81 -4,-3.7 4,-2.5 2,-0.2 -1,-0.2 0.818 107.8 57.1 -69.5 -33.8 1.1 -31.3 118.7 481 265 B A H X S+ 0 0 50 -4,-1.8 4,-2.3 -5,-0.3 -2,-0.2 0.937 108.3 45.9 -63.1 -48.0 2.4 -33.4 121.6 482 266 B I H X S+ 0 0 2 -4,-2.2 4,-1.8 1,-0.2 6,-0.2 0.888 111.6 54.7 -61.2 -40.0 0.9 -36.6 120.1 483 267 B A H X>S+ 0 0 4 -4,-1.6 5,-2.4 -5,-0.3 4,-0.7 0.941 108.9 46.2 -60.1 -48.1 2.4 -35.5 116.8 484 268 B K H <5S+ 0 0 162 -4,-2.5 3,-0.4 1,-0.2 -2,-0.2 0.894 116.2 45.5 -62.7 -40.8 5.9 -35.2 118.3 485 269 B S H <5S+ 0 0 53 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.676 118.9 39.4 -78.3 -19.7 5.7 -38.5 120.1 486 270 B T H <5S- 0 0 19 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.326 111.9-111.9-110.5 6.2 4.3 -40.6 117.2 487 271 B G T <5S+ 0 0 60 -4,-0.7 2,-0.2 -3,-0.4 -3,-0.2 0.845 72.8 128.2 68.4 38.1 6.4 -38.9 114.4 488 272 B A < - 0 0 14 -5,-2.4 2,-0.3 -6,-0.2 -21,-0.2 -0.717 53.3-122.4-119.8 169.0 3.5 -37.1 112.7 489 273 B K E -o 467 0G 128 -23,-2.0 -21,-2.3 -2,-0.2 2,-0.4 -0.806 24.1-119.9-110.6 154.6 2.8 -33.6 111.5 490 274 B V E +o 468 0G 33 -2,-0.3 2,-0.3 -23,-0.2 -21,-0.2 -0.772 36.4 163.6 -97.8 139.0 -0.2 -31.4 112.5 491 275 B K E -o 469 0G 100 -23,-1.7 -21,-2.7 -2,-0.4 2,-0.5 -0.841 37.2 -99.2-139.0 174.8 -2.6 -30.1 110.0 492 276 B T E +o 470 0G 68 -2,-0.3 2,-0.5 -23,-0.2 -21,-0.2 -0.906 31.9 172.7-112.5 125.8 -6.1 -28.6 110.1 493 277 B L - 0 0 3 -23,-2.4 -72,-0.2 -2,-0.5 -2,-0.0 -0.975 21.8-150.8-128.7 111.3 -9.3 -30.5 109.4 494 278 B S - 0 0 17 -2,-0.5 19,-0.1 1,-0.1 -23,-0.1 -0.700 16.6-156.4 -88.8 129.8 -12.5 -28.5 110.2 495 279 B P - 0 0 0 0, 0.0 -1,-0.1 0, 0.0 15,-0.0 0.225 47.5-117.1 -86.1 15.9 -15.8 -30.1 111.3 496 280 B L S S+ 0 0 0 1,-0.1 14,-0.1 13,-0.1 -2,-0.0 0.756 77.8 130.3 52.8 34.2 -17.5 -26.9 110.0 497 281 B E + 0 0 5 -225,-0.1 -225,-0.4 2,-0.1 2,-0.4 0.511 64.5 50.8 -90.5 -9.1 -18.8 -26.1 113.5 498 282 B A S S- 0 0 16 -227,-0.1 -204,-0.2 -226,-0.1 -205,-0.1 -0.977 104.5 -90.6-128.8 143.9 -17.5 -22.5 113.3 499 283 B A - 0 0 42 -206,-2.3 -2,-0.1 -2,-0.4 3,-0.1 -0.335 49.2-127.7 -55.3 116.9 -18.1 -20.0 110.4 500 284 B P - 0 0 35 0, 0.0 4,-0.1 0, 0.0 2,-0.1 -0.366 24.6-103.8 -66.8 146.1 -15.2 -20.5 108.0 501 285 B S S S+ 0 0 122 2,-0.1 3,-0.2 -2,-0.1 2,-0.0 -0.432 88.1 27.5 -68.4 144.5 -13.2 -17.4 107.0 502 286 B G S S- 0 0 63 1,-0.1 2,-0.5 -2,-0.1 0, 0.0 -0.124 97.6 -76.9 91.2 169.8 -14.0 -16.3 103.5 503 287 B N + 0 0 152 -2,-0.0 2,-0.2 0, 0.0 -1,-0.1 -0.498 68.2 141.5-111.2 65.7 -17.2 -16.6 101.4 504 288 B K - 0 0 108 -2,-0.5 2,-0.1 -3,-0.2 3,-0.0 -0.547 54.2 -98.2 -96.7 166.2 -17.3 -20.2 100.1 505 289 B T > 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101.7 515 299 B E H X S+ 0 0 52 -4,-1.8 4,-3.3 -3,-0.2 5,-0.3 0.898 107.6 48.3 -71.9 -43.7 -9.1 -32.3 99.7 516 300 B V H X S+ 0 0 50 -4,-1.4 4,-2.5 2,-0.2 5,-0.2 0.959 115.0 46.4 -62.8 -48.2 -6.8 -31.9 102.7 517 301 B L H X S+ 0 0 1 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.950 116.0 46.4 -56.4 -50.5 -7.9 -35.3 104.1 518 302 B Y H X S+ 0 0 6 -4,-2.5 4,-1.0 -5,-0.2 -2,-0.2 0.954 113.6 46.5 -55.6 -56.4 -7.5 -36.8 100.6 519 303 B Q H < S+ 0 0 80 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.835 115.0 49.9 -56.4 -35.7 -4.1 -35.3 99.9 520 304 B Q H < S+ 0 0 51 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.974 107.4 49.1 -69.8 -55.8 -3.0 -36.3 103.4 521 305 B L H < 0 0 16 -4,-3.0 -106,-0.7 -5,-0.2 -1,-0.2 0.668 360.0 360.0 -59.3 -12.4 -4.0 -39.9 103.2 522 306 B K < 0 0 150 -4,-1.0 -109,-0.1 -5,-0.2 -112,-0.0 -0.577 360.0 360.0 -88.1 360.0 -2.2 -39.9 99.9