==== 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 HYDROLASE 27-SEP-06 2IHY . COMPND 2 MOLECULE: ABC TRANSPORTER, ATP-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR T.E.MCGRATH,C.S.YU,V.ROMANOV,R.LAM,A.DHARAMSI,C.VIRAG,K.MANS . 509 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23091.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 382 75.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 15.3 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 . 8 1.6 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 . 52 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 122 24.0 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 5 2 2 0 4 0 0 0 1 2 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 4 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 2 4 0 2 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 . 2 0 2 0 1 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 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 0 A H 0 0 151 0, 0.0 27,-2.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -30.8 42.6 -14.6 23.2 2 1 A X E +A 27 0A 63 25,-0.2 25,-0.2 1,-0.2 3,-0.1 -0.551 360.0 168.3 -77.2 133.1 45.0 -12.3 21.4 3 2 A L E + 0 0 5 23,-2.8 60,-2.9 1,-0.4 2,-0.4 0.791 67.2 17.3-108.2 -53.0 43.6 -10.5 18.4 4 3 A I E -AB 26 62A 0 22,-2.1 22,-3.0 58,-0.2 2,-0.4 -0.990 61.1-177.4-126.0 131.4 46.1 -7.8 17.5 5 4 A Q E -AB 25 61A 70 56,-2.7 56,-2.5 -2,-0.4 2,-0.5 -0.952 4.0-179.0-131.4 119.0 49.7 -7.5 18.6 6 5 A L E -AB 24 60A 2 18,-3.0 18,-2.2 -2,-0.4 2,-0.6 -0.955 11.4-162.4-106.3 123.6 52.1 -4.7 17.7 7 6 A D E - B 0 59A 76 52,-2.5 52,-1.7 -2,-0.5 16,-0.2 -0.911 67.8 -40.6-114.5 107.5 55.6 -5.1 19.1 8 7 A Q E S- 0 0 94 -2,-0.6 13,-0.3 13,-0.2 15,-0.2 0.881 86.5-177.3 44.7 53.3 57.7 -1.9 19.2 9 8 A I E -A 22 0A 0 13,-2.8 13,-2.6 49,-0.2 2,-0.3 -0.434 11.4-166.3 -82.2 152.7 56.4 -0.8 15.8 10 9 A G E - B 0 57A 5 47,-1.7 46,-2.6 10,-0.2 47,-1.3 -0.945 9.3-157.1-134.6 158.1 57.4 2.4 14.0 11 10 A R E +A 19 0A 28 8,-2.3 7,-3.2 -2,-0.3 8,-1.9 -0.972 14.2 176.9-138.6 120.6 56.2 4.3 11.0 12 11 A X E -A 17 0A 86 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.937 6.5-175.0-123.4 149.4 58.3 6.6 8.9 13 12 A K E > S-A 16 0A 103 3,-2.2 3,-2.2 -2,-0.3 -2,-0.0 -0.968 72.8 -14.5-145.0 125.3 57.4 8.7 5.8 14 13 A Q T 3 S- 0 0 183 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.779 128.7 -52.7 53.2 32.0 59.9 10.7 3.7 15 14 A G T 3 S+ 0 0 61 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.288 113.4 117.6 93.4 -9.3 62.5 10.5 6.5 16 15 A K E < -A 13 0A 144 -3,-2.2 -3,-2.2 1,-0.0 2,-0.6 -0.737 67.1-123.7 -94.0 137.6 60.1 11.8 9.2 17 16 A T E +A 12 0A 86 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.713 34.8 167.6 -80.3 118.0 59.2 9.7 12.2 18 17 A I E S+ 0 0 52 -7,-3.2 2,-0.4 -2,-0.6 -6,-0.2 0.843 70.6 16.7 -97.1 -45.9 55.3 9.4 12.4 19 18 A L E S-A 11 0A 1 -8,-1.9 -8,-2.3 25,-0.1 2,-0.4 -0.985 71.7-164.8-129.4 142.1 55.0 6.6 14.9 20 19 A K E - 0 0 94 191,-3.1 193,-0.5 -2,-0.4 -10,-0.2 -0.987 58.4 -23.9-137.2 127.1 57.7 5.4 17.3 21 20 A K E S+ 0 0 136 -2,-0.4 2,-0.6 -13,-0.3 192,-0.2 0.828 72.7 174.8 49.5 50.5 58.1 2.3 19.5 22 21 A I E -A 9 0A 0 -13,-2.6 -13,-2.8 -15,-0.1 2,-0.5 -0.783 10.5-179.2 -91.1 117.4 54.5 1.4 19.8 23 22 A S E + 0 0 34 -2,-0.6 2,-0.3 -15,-0.2 -16,-0.2 -0.974 13.1 162.6-113.1 129.7 53.7 -1.8 21.6 24 23 A W E -A 6 0A 3 -18,-2.2 -18,-3.0 -2,-0.5 2,-0.5 -0.967 20.7-167.2-152.7 128.8 50.0 -2.6 21.8 25 24 A Q E -A 5 0A 94 -2,-0.3 2,-0.5 -20,-0.2 -20,-0.2 -0.978 4.9-170.1-120.1 126.2 48.1 -5.8 22.5 26 25 A I E -A 4 0A 0 -22,-3.0 -23,-2.8 -2,-0.5 -22,-2.1 -0.974 11.8-175.3-120.7 121.2 44.4 -6.1 21.9 27 26 A A E > -A 2 0A 14 -2,-0.5 3,-2.2 -25,-0.2 -25,-0.2 -0.706 38.6 -73.1-113.5 161.6 42.6 -9.2 23.2 28 27 A K T 3 S+ 0 0 92 -27,-2.8 158,-0.2 1,-0.3 -1,-0.1 -0.240 119.9 16.7 -49.7 135.8 39.1 -10.5 23.0 29 28 A G T 3 S+ 0 0 20 156,-1.6 -1,-0.3 1,-0.3 157,-0.2 0.312 90.0 141.5 82.6 -8.8 36.7 -8.5 25.1 30 29 A D < - 0 0 18 -3,-2.2 158,-2.5 155,-0.2 2,-0.5 -0.422 36.1-161.2 -66.6 138.0 39.0 -5.5 25.5 31 30 A K E -d 188 0B 22 156,-0.2 173,-2.1 -2,-0.1 172,-0.6 -0.935 19.1-174.4-121.3 106.9 37.5 -2.1 25.3 32 31 A W E -de 189 204B 13 156,-3.1 158,-3.3 -2,-0.5 2,-0.5 -0.802 22.7-151.3-105.5 140.8 40.2 0.5 24.6 33 32 A I E -de 190 205B 0 171,-2.7 173,-2.5 -2,-0.4 2,-0.6 -0.926 9.6-158.6 -97.6 128.0 40.2 4.2 24.4 34 33 A L E -de 191 206B 0 156,-2.3 158,-1.8 -2,-0.5 2,-0.4 -0.941 23.9-177.5-103.2 110.1 42.8 5.6 22.0 35 34 A Y E +de 192 207B 1 171,-2.4 173,-3.2 -2,-0.6 2,-0.3 -0.883 17.2 119.4-119.4 135.5 43.4 9.2 23.2 36 35 A G - 0 0 0 156,-0.9 173,-0.1 -2,-0.4 3,-0.1 -0.933 55.6 -85.5-178.9 161.2 45.5 12.0 21.9 37 36 A L > - 0 0 49 171,-0.5 3,-1.8 -2,-0.3 5,-0.3 -0.190 63.8 -75.7 -64.7 162.7 45.4 15.6 20.5 38 37 A N T 3 S+ 0 0 78 1,-0.2 -1,-0.2 2,-0.1 392,-0.0 -0.447 126.2 30.0 -53.5 135.3 44.8 16.3 16.8 39 38 A G T 3 S+ 0 0 79 -3,-0.1 -1,-0.2 -2,-0.1 -2,-0.1 0.449 82.1 120.4 90.0 2.0 48.1 15.5 15.1 40 39 A A S < S- 0 0 6 -3,-1.8 171,-2.0 170,-0.1 172,-0.1 0.645 87.4-105.0 -76.5 -14.4 49.1 12.8 17.6 41 40 A G S > S+ 0 0 14 -4,-0.2 4,-2.2 169,-0.1 5,-0.1 0.576 77.6 135.1 99.7 14.0 49.3 10.0 14.9 42 41 A K H > S+ 0 0 11 -5,-0.3 4,-2.3 1,-0.2 5,-0.1 0.900 73.6 48.2 -60.8 -44.6 46.0 8.3 15.9 43 42 A T H > S+ 0 0 73 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.894 110.2 50.6 -65.3 -42.9 44.9 7.9 12.3 44 43 A T H > S+ 0 0 29 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.904 110.1 51.7 -59.4 -41.2 48.2 6.5 11.1 45 44 A L H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 3,-0.3 0.936 109.8 48.3 -63.6 -43.2 48.0 4.0 13.9 46 45 A L H X S+ 0 0 2 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.855 106.0 58.5 -61.6 -37.3 44.5 3.0 12.8 47 46 A N H <>S+ 0 0 36 -4,-2.3 5,-2.6 2,-0.2 6,-1.6 0.839 105.7 50.4 -59.3 -35.9 45.8 2.7 9.2 48 47 A I H ><5S+ 0 0 3 -4,-1.6 3,-1.0 -3,-0.3 -2,-0.2 0.934 111.8 46.0 -66.8 -47.4 48.3 0.1 10.5 49 48 A L H 3<5S+ 0 0 0 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.882 114.3 47.6 -63.0 -41.9 45.6 -1.9 12.3 50 49 A N T 3<5S- 0 0 2 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.430 113.1-121.6 -79.1 -0.6 43.3 -1.7 9.3 51 50 A A T < 5S+ 0 0 14 -3,-1.0 -3,-0.2 2,-0.2 -4,-0.1 0.768 78.8 122.9 61.0 31.3 46.3 -2.8 7.1 52 51 A Y S S-BC 4 65A 0 3,-2.8 3,-1.7 -2,-0.5 -58,-0.2 -0.906 73.5 -33.7-112.6 103.7 46.9 -9.0 12.9 63 62 A F T 3 S- 0 0 19 -60,-2.9 -1,-0.1 -2,-0.7 -59,-0.1 0.828 124.7 -46.2 56.9 38.1 44.6 -11.9 13.8 64 63 A G T 3 S+ 0 0 60 -61,-0.3 2,-0.4 1,-0.3 -1,-0.3 0.336 117.4 112.6 90.1 -5.4 47.4 -14.4 13.3 65 64 A K B < -C 62 0A 68 -3,-1.7 -3,-2.8 6,-0.0 -1,-0.3 -0.851 42.5-173.8-107.2 134.7 48.6 -12.9 10.0 66 65 A X - 0 0 89 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.1 -0.967 33.1-105.2-125.1 141.3 51.9 -11.1 9.5 67 66 A P 0 0 74 0, 0.0 -7,-0.1 0, 0.0 4,-0.0 -0.500 360.0 360.0 -65.5 125.3 53.2 -9.3 6.4 68 67 A G 0 0 115 -2,-0.3 -2,-0.2 2,-0.0 0, 0.0 -0.687 360.0 360.0 111.2 360.0 55.8 -11.4 4.6 69 ! 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 70 71 A Y 0 0 127 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 138.8 49.1 -12.4 4.0 71 72 A S > - 0 0 46 1,-0.1 4,-1.6 -4,-0.0 3,-0.2 -0.954 360.0-143.4-151.6 137.9 46.4 -10.0 2.6 72 73 A A H > S+ 0 0 26 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.850 103.4 60.6 -63.0 -37.9 45.0 -6.7 3.9 73 74 A E H > S+ 0 0 144 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.880 105.0 48.2 -57.1 -41.8 41.5 -7.7 2.6 74 75 A T H 4 S+ 0 0 52 2,-0.2 4,-0.5 1,-0.2 3,-0.5 0.904 109.6 52.4 -66.1 -43.2 41.5 -10.7 4.9 75 76 A V H >< S+ 0 0 0 -4,-1.6 3,-1.6 1,-0.2 -2,-0.2 0.924 106.8 53.8 -58.0 -44.8 42.7 -8.6 7.9 76 77 A R H >< S+ 0 0 73 -4,-2.4 3,-1.3 1,-0.3 -1,-0.2 0.726 93.8 68.7 -68.9 -22.8 39.8 -6.2 7.3 77 78 A Q T 3< S+ 0 0 133 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.717 99.7 52.3 -63.8 -20.4 37.2 -9.0 7.4 78 79 A H T < S+ 0 0 43 -3,-1.6 75,-2.3 -4,-0.5 76,-1.7 0.482 104.4 71.8 -89.3 -6.2 38.0 -9.2 11.1 79 80 A I E < -f 154 0B 17 -3,-1.3 2,-0.6 73,-0.2 76,-0.2 -0.927 59.9-158.8-121.1 134.0 37.5 -5.5 11.7 80 81 A G E -f 155 0B 2 74,-2.9 76,-3.6 -2,-0.4 2,-0.5 -0.967 24.2-166.0-105.3 115.2 34.3 -3.4 11.8 81 82 A F E -f 156 0B 38 -2,-0.6 2,-0.6 74,-0.2 76,-0.2 -0.912 13.0-171.9-115.7 120.1 35.5 0.2 11.1 82 83 A V E +f 157 0B 2 74,-3.3 76,-3.3 -2,-0.5 2,-0.3 -0.936 25.2 146.0-110.7 109.6 33.3 3.3 11.7 83 84 A S >> - 0 0 14 -2,-0.6 4,-1.2 74,-0.2 3,-0.7 -0.924 58.9-108.6-139.2 165.1 34.8 6.5 10.4 84 85 A H H 3> S+ 0 0 124 74,-0.3 4,-0.9 -2,-0.3 3,-0.1 0.833 114.3 61.9 -63.3 -35.8 33.6 9.8 8.9 85 86 A S H 34 S+ 0 0 82 1,-0.2 3,-0.3 2,-0.2 -1,-0.2 0.838 104.9 48.0 -57.6 -35.8 35.0 8.9 5.4 86 87 A L H X4 S+ 0 0 42 -3,-0.7 3,-1.0 1,-0.2 4,-0.3 0.784 100.1 64.1 -80.3 -30.7 32.6 5.8 5.3 87 88 A L H >< S+ 0 0 18 -4,-1.2 3,-0.5 1,-0.2 -1,-0.2 0.789 102.6 53.0 -57.8 -29.5 29.5 7.7 6.3 88 89 A E T 3< S+ 0 0 130 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.549 87.4 77.4 -88.5 -10.4 29.8 9.7 3.1 89 90 A K T < S+ 0 0 130 -3,-1.0 2,-0.3 -4,-0.2 -1,-0.2 0.648 84.7 80.1 -75.0 -14.1 30.0 6.7 0.7 90 91 A F S < S- 0 0 27 -3,-0.5 2,-0.3 -4,-0.3 9,-0.0 -0.665 74.8-134.1 -97.1 150.6 26.3 6.3 1.0 91 92 A Q > - 0 0 129 -2,-0.3 3,-2.2 1,-0.1 40,-0.3 -0.780 22.8-111.1-108.0 148.9 23.6 8.3 -0.8 92 93 A E T 3 S+ 0 0 156 -2,-0.3 40,-2.8 1,-0.3 41,-0.3 0.754 111.0 56.6 -39.6 -43.5 20.4 9.9 0.5 93 94 A G T 3 S+ 0 0 43 38,-0.2 2,-0.4 37,-0.2 -1,-0.3 0.354 78.8 106.8 -83.6 3.9 18.0 7.5 -1.3 94 95 A E S < S- 0 0 58 -3,-2.2 37,-3.3 1,-0.1 38,-0.2 -0.682 73.0-119.7 -82.3 132.9 19.4 4.2 0.1 95 96 A R B > -I 130 0C 95 -2,-0.4 4,-2.0 35,-0.3 35,-0.3 -0.459 18.1-122.7 -69.7 144.5 17.1 2.5 2.6 96 97 A V H > S+ 0 0 0 33,-2.7 4,-2.1 30,-0.4 5,-0.2 0.911 111.0 53.2 -52.1 -48.9 18.6 1.9 6.1 97 98 A I H > S+ 0 0 11 30,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.900 110.1 48.0 -57.2 -41.4 18.1 -1.9 6.0 98 99 A D H > S+ 0 0 87 29,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.856 107.5 55.0 -70.0 -35.3 19.9 -2.1 2.6 99 100 A V H < S+ 0 0 0 -4,-2.0 -1,-0.2 2,-0.2 4,-0.2 0.876 112.1 44.3 -62.8 -40.1 22.8 0.0 3.9 100 101 A V H >< S+ 0 0 0 -4,-2.1 3,-2.4 1,-0.2 4,-0.2 0.949 109.1 55.8 -68.8 -50.1 23.2 -2.4 6.8 101 102 A I H >< S+ 0 0 21 -4,-2.8 3,-2.4 1,-0.3 -2,-0.2 0.881 97.1 66.2 -44.9 -44.1 22.8 -5.5 4.5 102 103 A S T 3< S+ 0 0 53 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.609 82.6 75.9 -60.3 -15.4 25.7 -4.1 2.4 103 104 A G T < 0 0 16 -3,-2.4 -1,-0.3 -4,-0.2 -2,-0.2 0.620 360.0 360.0 -69.3 -16.3 28.1 -4.7 5.4 104 105 A A < 0 0 80 -3,-2.4 -2,-0.1 -4,-0.2 46,-0.1 0.615 360.0 360.0 -86.2 360.0 28.0 -8.5 4.6 105 ! 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 0.0 106 115 A I 0 0 160 0, 0.0 2,-0.2 0, 0.0 -5,-0.0 0.000 360.0 360.0 360.0 129.3 22.0 -12.1 0.1 107 116 A D > - 0 0 84 0, 0.0 4,-2.6 0, 0.0 5,-0.3 -0.716 360.0 -77.8-134.9-177.4 19.3 -14.3 1.8 108 117 A D H > S+ 0 0 142 1,-0.2 4,-1.1 -2,-0.2 0, 0.0 0.677 127.2 50.1 -57.9 -22.5 16.6 -14.4 4.5 109 118 A E H > S+ 0 0 153 2,-0.2 4,-2.3 3,-0.2 -1,-0.2 0.839 109.7 47.7 -87.0 -38.8 19.3 -15.0 7.2 110 119 A I H > S+ 0 0 40 -3,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.893 114.7 47.3 -67.4 -42.4 21.5 -12.1 6.1 111 120 A R H X S+ 0 0 108 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.889 112.3 50.4 -62.7 -42.8 18.5 -9.8 6.0 112 121 A N H X S+ 0 0 64 -4,-1.1 4,-1.9 -5,-0.3 -2,-0.2 0.891 108.2 52.6 -61.6 -40.0 17.5 -11.2 9.4 113 122 A E H X S+ 0 0 64 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.874 109.4 49.6 -62.3 -38.9 21.1 -10.5 10.7 114 123 A A H X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.901 110.2 50.4 -67.6 -40.5 20.7 -6.9 9.5 115 124 A H H X S+ 0 0 40 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.850 109.0 50.7 -65.4 -35.8 17.3 -6.5 11.3 116 125 A Q H X S+ 0 0 86 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.902 110.3 49.6 -70.8 -40.8 18.7 -7.8 14.6 117 126 A L H X S+ 0 0 4 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.847 106.3 55.6 -65.8 -35.5 21.6 -5.4 14.5 118 127 A L H <>S+ 0 0 0 -4,-1.8 5,-3.1 2,-0.2 6,-0.5 0.904 107.1 50.9 -62.8 -39.0 19.3 -2.5 13.8 119 128 A K H ><5S+ 0 0 134 -4,-1.6 3,-1.5 4,-0.2 -2,-0.2 0.941 108.2 52.7 -59.9 -47.5 17.3 -3.5 16.9 120 129 A L H 3<5S+ 0 0 47 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.782 111.1 45.7 -59.9 -32.3 20.6 -3.5 18.9 121 130 A V T 3<5S- 0 0 0 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.334 117.3-111.8 -95.2 9.8 21.5 0.0 17.7 122 131 A G T < 5S+ 0 0 49 -3,-1.5 -3,-0.2 -4,-0.2 3,-0.2 0.738 87.4 113.2 73.1 26.9 18.0 1.4 18.4 123 132 A X > < + 0 0 4 -5,-3.1 3,-0.9 -6,-0.2 -4,-0.2 0.191 30.1 110.3-118.5 15.4 17.2 1.9 14.7 124 133 A S G > S+ 0 0 52 -6,-0.5 3,-1.7 1,-0.2 4,-0.2 0.872 74.4 58.4 -59.0 -42.2 14.4 -0.7 14.1 125 134 A A G 3 S+ 0 0 100 1,-0.3 3,-0.3 -3,-0.2 -1,-0.2 0.763 111.5 43.0 -61.5 -25.1 11.7 1.9 13.7 126 135 A K G X S+ 0 0 77 -3,-0.9 3,-1.1 1,-0.2 -30,-0.4 0.131 76.3 114.9-108.9 20.1 13.6 3.5 10.8 127 136 A A T < S+ 0 0 3 -3,-1.7 -30,-2.6 1,-0.2 -29,-0.3 0.824 81.8 43.6 -58.9 -34.1 14.7 0.3 9.0 128 137 A Q T 3 S+ 0 0 90 -3,-0.3 -1,-0.2 -4,-0.2 2,-0.1 0.493 95.0 107.8 -90.5 -3.2 12.7 1.1 5.9 129 138 A Q S < S- 0 0 80 -3,-1.1 -33,-2.7 -34,-0.1 2,-0.2 -0.423 78.2-105.2 -82.8 148.3 13.6 4.8 5.7 130 139 A Y B > -I 95 0C 92 -35,-0.3 3,-2.3 1,-0.1 -35,-0.3 -0.518 27.7-129.0 -65.4 132.4 15.9 6.5 3.3 131 140 A I G > S+ 0 0 8 -37,-3.3 3,-1.7 -40,-0.3 -38,-0.2 0.776 104.6 74.4 -60.9 -22.3 19.2 7.2 5.0 132 141 A G G 3 S+ 0 0 29 -40,-2.8 -1,-0.3 1,-0.3 -39,-0.1 0.762 90.3 56.6 -54.1 -31.2 18.8 10.8 3.8 133 142 A Y G < S+ 0 0 162 -3,-2.3 -1,-0.3 -41,-0.3 2,-0.2 0.449 90.5 99.3 -82.3 -4.9 16.0 11.4 6.4 134 143 A L S < S- 0 0 13 -3,-1.7 2,-0.1 -4,-0.2 -3,-0.0 -0.519 71.5-118.1 -92.2 153.8 18.3 10.5 9.4 135 144 A S > - 0 0 58 -2,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.304 35.5-104.0 -73.4 167.2 20.1 12.7 11.9 136 145 A T H > S+ 0 0 74 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.921 125.4 50.6 -57.4 -44.8 23.9 12.5 12.1 137 146 A G H > S+ 0 0 4 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.927 110.9 47.9 -58.0 -47.8 23.5 10.5 15.4 138 147 A E H > S+ 0 0 31 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.908 110.2 52.3 -61.2 -43.7 21.1 8.1 13.7 139 148 A K H X S+ 0 0 58 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.863 107.0 53.0 -59.1 -38.3 23.4 7.6 10.7 140 149 A Q H X S+ 0 0 13 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.855 107.9 50.5 -68.7 -35.1 26.3 6.8 13.0 141 150 A R H X S+ 0 0 31 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.902 109.5 50.7 -69.9 -36.7 24.2 4.1 14.7 142 151 A V H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.914 108.6 52.7 -62.8 -43.7 23.3 2.6 11.2 143 152 A X H X S+ 0 0 12 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.865 106.9 53.1 -59.5 -37.5 27.1 2.6 10.4 144 153 A I H X S+ 0 0 0 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.933 109.6 46.8 -64.5 -45.8 27.7 0.7 13.6 145 154 A A H X S+ 0 0 0 -4,-2.1 4,-0.6 1,-0.2 3,-0.3 0.925 112.2 51.4 -60.3 -44.5 25.1 -2.0 12.6 146 155 A R H >X S+ 0 0 48 -4,-2.8 3,-1.0 1,-0.2 4,-0.5 0.902 107.9 52.4 -56.4 -44.0 26.6 -2.2 9.1 147 156 A A H 3< S+ 0 0 14 -4,-2.3 3,-0.4 1,-0.2 -1,-0.2 0.790 107.3 52.4 -64.3 -30.8 30.1 -2.6 10.6 148 157 A L H >< S+ 0 0 11 -4,-1.5 3,-1.1 -3,-0.3 -1,-0.2 0.537 89.7 79.9 -82.8 -9.6 28.9 -5.5 12.8 149 158 A X H << S+ 0 0 4 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.2 0.838 81.9 62.9 -67.1 -35.7 27.4 -7.4 9.8 150 159 A G T 3< S- 0 0 39 -4,-0.5 -1,-0.3 -3,-0.4 -2,-0.1 0.150 112.9-118.5 -78.0 20.1 30.7 -8.8 8.7 151 160 A Q < - 0 0 136 -3,-1.1 -2,-0.1 1,-0.1 -3,-0.1 0.846 47.6-171.2 48.4 49.9 30.9 -10.6 12.0 152 161 A P - 0 0 10 0, 0.0 -73,-0.2 0, 0.0 -74,-0.2 -0.230 32.3-145.4 -78.4 161.4 34.1 -8.8 13.1 153 162 A Q S S+ 0 0 66 -75,-2.3 34,-2.3 1,-0.2 2,-0.4 0.654 89.1 37.6 -91.6 -22.8 36.3 -9.5 16.1 154 163 A V E -fg 79 187B 0 -76,-1.7 -74,-2.9 32,-0.2 2,-0.6 -0.999 66.5-156.2-131.8 133.6 37.2 -5.8 16.7 155 164 A L E -fg 80 188B 0 32,-2.8 34,-2.4 -2,-0.4 2,-0.6 -0.950 13.9-164.5-108.3 118.5 34.9 -2.8 16.3 156 165 A I E -fg 81 189B 0 -76,-3.6 -74,-3.3 -2,-0.6 2,-0.6 -0.925 3.9-169.0-111.1 121.0 37.0 0.4 15.6 157 166 A L E -fg 82 190B 0 32,-3.0 34,-2.8 -2,-0.6 2,-1.0 -0.928 8.0-156.8-113.4 110.6 35.2 3.7 16.1 158 167 A D E S- g 0 191B 23 -76,-3.3 -74,-0.3 -2,-0.6 34,-0.1 -0.756 74.7 -42.1 -94.4 100.7 37.1 6.8 14.8 159 168 A E S > S+ 0 0 62 32,-1.4 3,-1.7 -2,-1.0 -1,-0.2 0.897 77.9 175.8 44.1 57.4 35.7 9.8 16.7 160 169 A P T 3 + 0 0 1 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.674 69.4 56.8 -69.7 -18.4 32.2 8.5 16.3 161 170 A A T > S+ 0 0 4 2,-0.1 3,-1.7 3,-0.0 8,-0.1 0.286 73.5 136.6 -97.7 10.5 30.6 11.3 18.4 162 171 A A T < S+ 0 0 60 -3,-1.7 3,-0.1 1,-0.3 262,-0.0 -0.327 78.1 6.2 -59.8 128.8 32.0 14.1 16.3 163 172 A G T 3 S+ 0 0 56 1,-0.2 -1,-0.3 -2,-0.1 2,-0.2 0.300 99.7 130.0 82.1 -11.3 29.3 16.8 15.7 164 173 A L < - 0 0 1 -3,-1.7 -1,-0.2 -28,-0.1 291,-0.1 -0.541 52.3-134.1 -79.6 138.7 26.8 15.1 18.0 165 174 A D > - 0 0 14 -2,-0.2 4,-2.7 -3,-0.1 5,-0.2 -0.160 40.9 -84.9 -75.7-178.7 25.0 17.1 20.8 166 175 A F H > S+ 0 0 3 289,-0.5 4,-2.1 1,-0.2 5,-0.2 0.897 127.3 45.2 -58.3 -45.8 24.6 15.7 24.3 167 176 A I H > S+ 0 0 33 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.929 115.6 46.3 -67.9 -44.1 21.5 13.6 23.7 168 177 A A H > S+ 0 0 19 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.894 112.5 51.2 -65.2 -42.6 22.8 12.1 20.4 169 178 A R H X S+ 0 0 6 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.919 111.1 46.6 -58.3 -47.2 26.2 11.3 22.0 170 179 A E H X S+ 0 0 11 -4,-2.1 4,-2.8 -5,-0.2 -2,-0.2 0.854 109.1 55.8 -69.6 -33.0 24.8 9.5 25.0 171 180 A S H X S+ 0 0 30 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.939 110.7 44.6 -59.0 -49.9 22.5 7.5 22.7 172 181 A L H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.934 114.1 49.7 -61.1 -45.3 25.5 6.3 20.8 173 182 A L H X S+ 0 0 2 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.892 108.7 51.9 -64.2 -40.0 27.4 5.6 24.0 174 183 A S H X S+ 0 0 65 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.875 106.0 55.5 -62.2 -39.4 24.5 3.7 25.5 175 184 A I H X S+ 0 0 19 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.903 104.4 53.3 -59.6 -41.5 24.3 1.5 22.3 176 185 A L H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.878 107.5 51.0 -61.5 -37.9 28.0 0.6 22.7 177 186 A D H X S+ 0 0 56 -4,-1.6 4,-1.2 2,-0.2 -1,-0.2 0.899 111.5 48.7 -63.9 -41.4 27.3 -0.6 26.3 178 187 A S H X S+ 0 0 43 -4,-2.0 4,-2.0 2,-0.2 3,-0.3 0.903 109.3 51.2 -62.5 -46.0 24.4 -2.7 24.9 179 188 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.876 106.4 55.0 -62.5 -36.9 26.5 -4.2 22.1 180 189 A S H < S+ 0 0 14 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.827 107.5 50.5 -66.4 -32.7 29.2 -5.2 24.7 181 190 A D H < S+ 0 0 127 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.899 114.7 42.4 -67.0 -44.6 26.4 -7.0 26.7 182 191 A S H < S+ 0 0 59 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.803 127.0 32.9 -72.7 -31.7 25.3 -8.9 23.6 183 192 A Y >< + 0 0 89 -4,-2.4 3,-1.4 -5,-0.2 -1,-0.3 -0.683 65.2 170.3-130.4 77.7 28.8 -9.6 22.4 184 193 A P T 3 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.791 80.7 51.0 -57.7 -33.3 31.2 -10.1 25.4 185 194 A T T 3 S+ 0 0 98 -157,-0.1 -156,-1.6 -156,-0.1 2,-0.3 0.549 83.9 109.4 -85.8 -9.6 34.1 -11.3 23.3 186 195 A L < - 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0 0 0 -3,-1.9 47,-0.5 47,-0.1 2,-0.2 -0.697 54.7-163.5 -88.3 111.9 31.1 27.4 29.6 461 208 B T > - 0 0 6 -2,-0.7 3,-1.8 45,-0.1 45,-0.1 -0.510 34.7-103.1 -90.6 164.6 33.8 29.5 31.4 462 209 B A T 3 S+ 0 0 54 43,-0.4 -1,-0.1 1,-0.3 44,-0.1 0.738 117.6 64.5 -57.5 -28.2 33.3 31.5 34.6 463 210 B N T 3 S+ 0 0 53 1,-0.1 2,-0.9 2,-0.1 -1,-0.3 0.682 86.7 77.8 -72.7 -15.8 33.2 34.8 32.7 464 211 B F < + 0 0 5 -3,-1.8 -180,-0.1 1,-0.1 -1,-0.1 -0.835 56.3 162.1 -95.5 104.9 30.0 33.6 30.9 465 212 B S + 0 0 61 -2,-0.9 16,-2.1 -182,-0.7 2,-0.3 0.449 49.7 63.4-108.9 -7.1 27.4 34.3 33.6 466 213 B K E -pS 284 480F 72 -183,-1.9 -181,-2.7 14,-0.3 2,-0.3 -0.923 58.3-174.1-124.4 149.0 24.1 34.3 31.6 467 214 B I E -pS 285 479F 0 12,-2.4 12,-1.8 -2,-0.3 2,-0.5 -1.000 16.1-158.5-145.2 141.2 22.4 31.5 29.6 468 215 B L E -pS 286 478F 0 -183,-2.6 -181,-2.6 -2,-0.3 2,-0.7 -0.990 16.8-148.7-117.1 123.6 19.4 31.0 27.3 469 216 B L E -pS 287 477F 0 8,-3.0 7,-3.0 -2,-0.5 8,-0.7 -0.849 15.8-167.1 -94.7 113.8 18.1 27.5 27.0 470 217 B L E + S 0 475F 0 -183,-3.1 -181,-0.4 -2,-0.7 2,-0.4 -0.877 13.3 167.3-107.4 129.6 16.6 26.9 23.5 471 218 B K E > S- S 0 474F 60 3,-2.5 3,-1.4 -2,-0.5 -179,-0.1 -0.976 70.5 -15.2-143.2 121.2 14.5 23.9 22.7 472 219 B D T 3 S- 0 0 121 -2,-0.4 -179,-0.1 1,-0.3 -180,-0.1 0.886 128.5 -50.0 53.2 45.5 12.4 23.4 19.6 473 220 B G T 3 S+ 0 0 2 -181,-2.4 -201,-3.0 1,-0.2 2,-0.4 0.572 118.1 106.4 75.1 10.5 12.5 27.2 18.7 474 221 B Q E < S-nS 272 471F 72 -3,-1.4 -3,-2.5 -203,-0.2 2,-0.8 -0.941 73.1-122.6-127.3 143.9 11.5 28.3 22.2 475 222 B S E + S 0 470F 32 -203,-0.5 -5,-0.2 -2,-0.4 3,-0.1 -0.763 29.9 179.0 -81.3 108.6 13.3 29.9 25.1 476 223 B I E - 0 0 80 -7,-3.0 2,-0.3 -2,-0.8 -1,-0.2 0.934 65.2 -9.0 -78.2 -49.0 12.7 27.4 27.9 477 224 B Q E - S 0 469F 50 -8,-0.7 -8,-3.0 2,-0.0 -1,-0.3 -0.989 60.5-176.8-146.2 151.5 14.7 29.2 30.6 478 225 B Q E + S 0 468F 79 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.987 35.3 74.9-149.2 148.6 17.0 32.2 30.8 479 226 B G E S+ S 0 467F 28 -12,-1.8 -12,-2.4 -2,-0.3 2,-0.1 -0.992 77.9 3.6 153.9-153.8 19.0 33.8 33.6 480 227 B A E >> - S 0 466F 28 -2,-0.3 4,-1.9 -14,-0.2 3,-0.7 -0.407 55.9-134.9 -68.9 136.0 22.2 33.2 35.7 481 228 B V H 3> S+ 0 0 7 -16,-2.1 4,-3.0 1,-0.2 -1,-0.1 0.914 106.7 57.1 -55.3 -47.1 24.2 30.1 34.8 482 229 B E H 34 S+ 0 0 148 -17,-0.3 -1,-0.2 1,-0.2 -16,-0.1 0.822 112.6 42.4 -50.0 -36.9 24.6 29.2 38.5 483 230 B D H <4 S+ 0 0 104 -3,-0.7 -1,-0.2 1,-0.1 -2,-0.2 0.797 121.6 37.1 -82.5 -33.8 20.8 29.1 38.7 484 231 B I H < S+ 0 0 7 -4,-1.9 2,-2.0 1,-0.2 -2,-0.2 0.860 98.5 74.3 -94.1 -38.8 20.0 27.4 35.5 485 232 B L S < S+ 0 0 6 -4,-3.0 2,-0.3 -5,-0.2 -1,-0.2 -0.521 70.9 123.7 -81.9 77.7 22.7 24.8 35.1 486 233 B T S > S- 0 0 44 -2,-2.0 4,-2.7 -3,-0.1 5,-0.3 -0.931 74.2-110.9-131.2 157.3 21.6 22.3 37.8 487 234 B S H > S+ 0 0 43 13,-0.5 4,-2.2 -2,-0.3 11,-0.4 0.897 117.9 48.9 -50.1 -48.5 20.7 18.6 37.7 488 235 B E H > S+ 0 0 155 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.918 114.5 42.7 -61.6 -49.0 17.0 19.4 38.2 489 236 B N H > S+ 0 0 20 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.891 116.8 45.5 -67.2 -42.4 16.7 22.1 35.5 490 237 B X H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 6,-0.2 0.854 110.1 55.3 -74.2 -33.1 18.7 20.2 32.9 491 238 B S H X>S+ 0 0 19 -4,-2.2 4,-1.8 -5,-0.3 5,-1.5 0.941 111.5 44.7 -60.4 -47.3 16.9 17.0 33.6 492 239 B R H <5S+ 0 0 136 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.869 110.8 55.1 -61.7 -40.6 13.6 18.8 32.9 493 240 B F H <5S+ 0 0 9 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.908 120.7 29.3 -57.6 -45.3 15.1 20.5 29.8 494 241 B F H <5S- 0 0 17 -4,-2.2 -1,-0.2 2,-0.3 -2,-0.2 0.640 97.9-130.1 -89.9 -18.2 16.1 17.1 28.3 495 242 B Q T <5S+ 0 0 146 -4,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.878 79.2 102.9 56.9 42.0 13.3 15.0 29.8 496 243 B K S -U 506 0H 58 3,-3.2 3,-1.3 -2,-0.6 -2,-0.1 -0.989 63.0 -3.2-145.7 129.7 33.9 21.9 39.7 504 251 B N T 3 S- 0 0 65 -2,-0.4 3,-0.1 1,-0.2 -1,-0.1 0.871 128.4 -59.0 50.0 43.8 37.1 23.9 39.2 505 252 B N T 3 S+ 0 0 99 1,-0.2 -43,-0.4 -44,-0.1 2,-0.3 0.661 122.5 92.1 66.1 18.7 35.0 26.9 37.9 506 253 B R E < S-U 503 0H 27 -3,-1.3 -3,-3.2 -45,-0.1 2,-0.4 -0.920 74.0-113.5-137.1 161.5 33.7 24.7 35.0 507 254 B F E -U 502 0H 19 -50,-0.5 2,-0.3 -47,-0.5 -5,-0.2 -0.795 21.4-168.8-104.2 141.0 30.6 22.6 34.5 508 255 B S E -U 501 0H 8 -7,-2.8 -7,-2.2 -2,-0.4 2,-0.4 -0.915 3.2-168.7-118.9 150.4 30.3 18.8 34.1 509 256 B X E -U 500 0H 13 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.980 1.6-169.8-142.0 129.2 27.2 16.9 33.1 510 257 B A E -U 499 0H 3 -11,-2.6 -11,-2.5 -2,-0.4 2,-0.3 -0.969 23.9-126.3-124.1 132.7 26.7 13.2 33.3 511 258 B X E U 498 0H 41 -2,-0.4 -13,-0.2 -13,-0.2 -14,-0.0 -0.610 360.0 360.0 -67.4 130.5 23.9 11.0 31.8 512 259 B L 0 0 118 -15,-2.7 -15,-0.2 -2,-0.3 -269,-0.0 -0.669 360.0 360.0 -97.4 360.0 22.4 8.9 34.6