==== 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 TRANSFERASE 19-JAN-07 2OLU . COMPND 2 MOLECULE: PENICILLIN-BINDING PROTEIN 2; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR A.L.LOVERING,L.H.DE CASTRO,D.LIM,N.C.STRYNADKA . 608 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28036.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 399 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 30 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 172 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.6 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 4 1 2 1 2 3 0 3 2 3 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 3 5 2 0 0 2 0 1 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 . 6 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 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 68 A K 0 0 179 0, 0.0 91,-0.0 0, 0.0 94,-0.0 0.000 360.0 360.0 360.0 149.2 23.9 71.6 -23.7 2 69 A L + 0 0 32 1,-0.1 2,-0.3 2,-0.0 73,-0.0 0.353 360.0 179.6 -54.5 163.6 20.8 72.4 -21.6 3 70 A Q - 0 0 103 2,-0.0 -1,-0.1 105,-0.0 242,-0.0 -0.948 32.6-117.9-153.6 156.0 17.9 70.2 -20.6 4 71 A D - 0 0 21 -2,-0.3 242,-0.1 2,-0.0 -2,-0.0 -0.674 33.5-134.3-107.2 78.2 14.8 70.9 -18.5 5 72 A P + 0 0 57 0, 0.0 240,-0.2 0, 0.0 239,-0.0 -0.000 34.1 166.3 -33.5 108.8 15.0 68.5 -15.4 6 73 A I B -a 245 0A 41 238,-0.8 240,-1.4 23,-0.0 241,-0.2 -0.956 36.9-114.7-117.9 142.3 11.6 66.9 -14.9 7 74 A P - 0 0 29 0, 0.0 237,-0.2 0, 0.0 2,-0.2 -0.449 31.0 -93.5 -88.1 158.7 11.6 63.9 -12.5 8 75 A A - 0 0 1 235,-1.4 13,-2.5 13,-0.2 2,-0.3 -0.443 35.7-149.7 -77.5 133.0 10.9 60.3 -13.4 9 76 A K E -Bc 20 248B 65 238,-1.9 240,-2.4 11,-0.2 2,-0.5 -0.801 3.4-153.7-105.7 140.9 7.3 59.0 -12.9 10 77 A I E -Bc 19 249B 6 9,-1.8 8,-1.6 -2,-0.3 9,-1.1 -0.963 8.7-167.7-118.1 127.4 6.3 55.4 -12.0 11 78 A Y E -Bc 17 250B 33 238,-3.0 240,-2.3 -2,-0.5 242,-0.3 -0.809 16.1-126.4-113.1 150.6 3.0 53.8 -12.9 12 79 A D > - 0 0 3 4,-1.8 3,-3.6 -2,-0.3 242,-0.2 -0.287 47.0 -75.4 -87.0 176.7 1.5 50.5 -11.6 13 80 A K T 3 S+ 0 0 99 240,-2.8 241,-0.1 1,-0.3 -1,-0.1 0.618 135.6 48.0 -46.2 -16.0 0.1 47.5 -13.5 14 81 A N T 3 S- 0 0 114 239,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.245 117.8-108.2-109.4 9.2 -3.0 49.8 -14.2 15 82 A G < + 0 0 39 -3,-3.6 2,-0.5 1,-0.3 -2,-0.1 0.823 69.8 144.6 66.7 31.9 -1.2 52.9 -15.4 16 83 A E - 0 0 94 -4,-0.1 -4,-1.8 1,-0.0 -1,-0.3 -0.878 57.7-108.3-100.2 134.1 -2.0 54.8 -12.2 17 84 A L E +B 11 0B 77 -2,-0.5 -6,-0.2 -6,-0.2 3,-0.1 -0.261 48.6 159.5 -56.1 147.5 0.7 57.2 -11.0 18 85 A V E + 0 0 19 -8,-1.6 2,-0.4 1,-0.2 -7,-0.2 0.546 56.5 12.7-138.2 -58.8 2.3 55.9 -7.8 19 86 A K E -B 10 0B 28 -9,-1.1 -9,-1.8 198,-0.1 2,-0.5 -0.988 50.1-162.2-135.5 126.0 5.8 57.4 -7.2 20 87 A T E -B 9 0B 44 -2,-0.4 2,-1.6 -11,-0.2 3,-0.4 -0.914 25.6-133.0 -98.8 131.4 7.5 60.4 -8.6 21 88 A L + 0 0 24 -13,-2.5 -13,-0.2 -2,-0.5 -12,-0.1 -0.181 68.4 121.6 -75.9 44.5 11.3 60.4 -8.0 22 89 A D > - 0 0 71 -2,-1.6 3,-0.6 1,-0.2 -1,-0.2 0.659 63.8-140.8 -79.1 -11.2 11.4 64.0 -6.8 23 90 A N T 3 - 0 0 90 -3,-0.4 -1,-0.2 1,-0.2 188,-0.1 -0.309 52.9 -62.4 59.0-166.9 12.9 63.2 -3.3 24 91 A G T 3 S+ 0 0 17 -2,-0.1 186,-0.3 185,-0.1 -1,-0.2 0.542 93.0 153.8 -73.4 0.1 11.2 65.5 -0.8 25 92 A Q < - 0 0 83 -3,-0.6 2,-1.3 1,-0.2 94,-0.1 0.251 52.1-125.3 -55.2 149.6 12.8 68.4 -2.7 26 93 A R E +f 119 0C 42 92,-0.7 94,-2.2 91,-0.1 2,-0.3 -0.754 68.7 112.3 -90.1 90.4 11.3 71.8 -2.7 27 94 A H E -f 120 0C 52 -2,-1.3 2,-0.4 92,-0.2 94,-0.1 -0.912 39.0-174.9-161.9 131.6 11.0 72.4 -6.5 28 95 A E - 0 0 78 92,-0.5 96,-0.4 -2,-0.3 95,-0.4 -0.989 28.5-123.6-134.9 124.7 7.9 72.7 -8.7 29 96 A H - 0 0 52 -2,-0.4 2,-0.4 94,-0.1 82,-0.1 -0.455 28.8-170.4 -71.1 137.9 8.3 73.0 -12.4 30 97 A V - 0 0 7 77,-0.2 2,-0.2 -2,-0.1 92,-0.1 -0.996 17.9-132.9-130.4 133.8 6.7 76.0 -14.1 31 98 A N > - 0 0 65 -2,-0.4 3,-1.2 1,-0.1 4,-0.2 -0.558 25.5-119.8 -73.8 150.3 6.2 76.8 -17.8 32 99 A L G > S+ 0 0 15 1,-0.3 3,-1.5 -2,-0.2 -1,-0.1 0.874 113.2 56.4 -59.4 -41.0 7.2 80.3 -19.0 33 100 A K G 3 S+ 0 0 171 1,-0.3 -1,-0.3 3,-0.0 4,-0.1 0.709 103.0 58.7 -64.1 -19.0 3.7 81.2 -20.2 34 101 A D G < S+ 0 0 99 -3,-1.2 -1,-0.3 2,-0.1 -2,-0.2 0.415 84.2 90.9 -94.9 0.8 2.5 80.4 -16.6 35 102 A V S < S- 0 0 4 -3,-1.5 2,-0.1 -4,-0.2 5,-0.0 -0.829 86.1-110.2 -96.7 132.3 4.7 83.0 -14.8 36 103 A P >> - 0 0 35 0, 0.0 4,-1.7 0, 0.0 3,-1.1 -0.365 21.9-119.1 -64.9 141.2 3.1 86.4 -14.4 37 104 A K H 3> S+ 0 0 149 1,-0.3 4,-3.4 2,-0.2 3,-0.3 0.883 111.5 56.5 -42.3 -54.9 4.5 89.3 -16.5 38 105 A S H 3> S+ 0 0 44 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.846 106.0 50.3 -54.6 -36.3 5.5 91.3 -13.4 39 106 A X H <> S+ 0 0 0 -3,-1.1 4,-2.1 2,-0.2 -1,-0.2 0.918 113.0 45.3 -70.6 -40.8 7.6 88.4 -12.0 40 107 A K H X S+ 0 0 48 -4,-1.7 4,-2.2 -3,-0.3 -2,-0.2 0.942 112.1 53.3 -59.8 -47.0 9.4 88.0 -15.3 41 108 A D H X S+ 0 0 27 -4,-3.4 4,-2.5 -5,-0.2 5,-0.2 0.923 106.9 53.1 -55.0 -42.5 9.7 91.8 -15.4 42 109 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.953 109.1 47.2 -55.0 -54.9 11.3 91.7 -11.9 43 110 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.5 0.841 113.5 47.7 -60.1 -39.7 14.0 89.1 -12.9 44 111 A L H X S+ 0 0 7 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.977 110.2 51.2 -66.6 -54.0 15.0 91.0 -16.1 45 112 A A H < S+ 0 0 4 -4,-2.5 4,-0.3 1,-0.2 -2,-0.2 0.888 118.6 41.1 -43.2 -45.0 15.2 94.4 -14.3 46 113 A T H < S+ 0 0 20 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.877 130.5 17.5 -76.1 -43.7 17.4 92.7 -11.8 47 114 A E H < S- 0 0 25 -4,-2.4 -3,-0.2 1,-0.2 -2,-0.2 0.771 135.7 -8.5-112.7 -35.9 19.7 90.4 -13.8 48 115 A D >< - 0 0 32 -4,-1.7 3,-1.4 -5,-0.5 -1,-0.2 -0.553 50.6-172.3-165.8 100.1 19.6 91.5 -17.5 49 116 A N T 3 S+ 0 0 40 -4,-0.3 3,-0.2 1,-0.3 -4,-0.1 0.713 90.1 45.4 -72.3 -20.5 17.2 94.1 -18.7 50 117 A R T 3> S+ 0 0 121 1,-0.2 4,-2.5 -6,-0.2 3,-0.3 0.061 72.4 132.2-109.6 25.0 18.0 93.7 -22.4 51 118 A F T <4 S+ 0 0 0 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.1 0.858 74.0 44.0 -36.6 -53.7 17.9 89.9 -22.3 52 119 A Y T 4 S+ 0 0 103 -3,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.880 117.8 43.6 -69.7 -37.1 15.7 89.6 -25.4 53 120 A E T 4 S+ 0 0 132 -3,-0.3 -2,-0.2 2,-0.0 -1,-0.2 0.925 89.9 105.8 -67.6 -48.2 17.6 92.2 -27.5 54 121 A H < + 0 0 28 -4,-2.5 2,-0.3 2,-0.1 14,-0.1 0.046 39.8 174.3 -55.3 137.9 21.2 91.2 -26.7 55 122 A G > - 0 0 32 12,-0.1 3,-1.4 0, 0.0 12,-0.1 -0.928 46.9 -92.1-130.9 162.5 23.4 89.4 -29.1 56 123 A A G > S+ 0 0 20 -2,-0.3 3,-0.7 1,-0.2 11,-0.1 0.735 113.2 56.8 -40.4 -43.8 27.1 88.5 -28.7 57 124 A L G 3 + 0 0 129 1,-0.2 -1,-0.2 2,-0.1 9,-0.1 0.202 63.4 109.5 -92.5 20.3 28.7 91.6 -30.4 58 125 A D G < 0 0 94 -3,-1.4 -1,-0.2 7,-0.3 -2,-0.1 0.659 360.0 360.0 -70.1 -14.1 27.2 94.5 -28.3 59 126 A Y < 0 0 184 -3,-0.7 -2,-0.1 6,-0.3 -1,-0.1 0.821 360.0 360.0 -79.2 360.0 30.8 94.9 -26.9 60 ! 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 61 140 A G > 0 0 96 0, 0.0 3,-0.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-177.0 36.4 88.3 -17.0 62 141 A F T 3 + 0 0 176 1,-0.2 28,-0.2 2,-0.1 0, 0.0 -0.494 360.0 17.8 -65.6 120.0 37.1 87.0 -20.5 63 142 A G T >> S+ 0 0 33 -2,-0.3 3,-2.2 27,-0.1 4,-0.5 -0.099 83.9 127.9 108.4 -34.3 33.9 86.3 -22.3 64 143 A S T <4 S+ 0 0 43 -3,-0.8 3,-0.4 1,-0.3 -2,-0.1 0.644 72.1 45.2 -6.5 -60.1 31.6 88.4 -20.0 65 144 A E T 34 S+ 0 0 120 -4,-0.2 -7,-0.3 1,-0.2 -6,-0.3 0.262 98.2 69.6 -93.8 11.3 29.9 90.4 -22.7 66 145 A G T <4 S+ 0 0 13 -3,-2.2 2,-0.3 -9,-0.1 -1,-0.2 0.634 100.8 37.8-111.7 -24.6 29.1 87.8 -25.4 67 146 A A S < S- 0 0 3 -4,-0.5 2,-0.3 -3,-0.4 27,-0.1 -0.712 97.6-100.9-106.2 173.8 26.4 85.8 -23.6 68 147 A S > - 0 0 2 -2,-0.3 4,-2.5 25,-0.2 5,-0.2 -0.720 27.3-116.9 -90.1 149.3 23.8 87.6 -21.4 69 148 A T H > S+ 0 0 67 -2,-0.3 4,-1.3 1,-0.2 -21,-0.1 0.797 116.4 56.1 -53.4 -32.4 24.2 87.5 -17.6 70 149 A L H >> S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 3,-0.8 0.974 108.8 43.8 -67.6 -51.4 21.0 85.6 -17.4 71 150 A T H 3> S+ 0 0 0 1,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.906 111.9 56.3 -53.3 -44.3 22.2 82.8 -19.7 72 151 A Q H 3X S+ 0 0 36 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.758 102.6 54.4 -63.2 -28.9 25.5 82.8 -17.8 73 152 A Q H X S+ 0 0 65 -4,-1.9 3,-2.7 1,-0.2 4,-0.8 0.977 106.8 52.9 -48.5 -59.1 27.5 78.6 -13.8 77 156 A D H >< S+ 0 0 56 -4,-1.8 3,-1.5 1,-0.3 -1,-0.2 0.874 101.6 57.5 -41.4 -53.3 24.9 76.6 -11.8 78 157 A A T 3< S+ 0 0 69 -4,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.441 113.2 42.7 -66.8 0.4 25.4 73.5 -14.1 79 158 A F T <4 0 0 51 -3,-2.7 -1,-0.3 -4,-0.3 -2,-0.2 0.415 360.0 360.0-120.7 -6.4 29.2 73.6 -13.1 80 159 A L << 0 0 179 -3,-1.5 -2,-0.1 -4,-0.8 -3,-0.1 0.958 360.0 360.0 -78.3 360.0 29.0 74.3 -9.3 81 ! 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 82 164 A S 0 0 139 0, 0.0 3,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 61.1 40.5 72.7 -12.0 83 165 A I - 0 0 187 1,-0.2 2,-0.9 2,-0.1 3,-0.1 0.010 360.0 -14.0 44.9-129.5 42.1 74.8 -14.9 84 166 A G > + 0 0 36 1,-0.2 4,-1.8 2,-0.1 3,-0.3 -0.437 69.1 155.3-112.2 62.7 40.0 77.5 -16.6 85 167 A R T 4 S+ 0 0 113 -2,-0.9 4,-0.5 -3,-0.5 -1,-0.2 0.422 70.9 50.4 -79.2 3.6 36.5 76.8 -15.5 86 168 A K T > S+ 0 0 151 2,-0.2 4,-1.9 -3,-0.1 -1,-0.2 0.744 106.4 52.1-104.0 -36.6 35.2 80.4 -16.0 87 169 A A H > S+ 0 0 47 -3,-0.3 4,-2.1 2,-0.2 5,-0.2 0.916 110.3 53.1 -58.1 -42.6 36.4 80.9 -19.5 88 170 A Q H X S+ 0 0 87 -4,-1.8 4,-3.0 1,-0.2 5,-0.3 0.927 106.8 50.1 -56.9 -47.7 34.6 77.6 -20.2 89 171 A E H > S+ 0 0 20 -4,-0.5 4,-1.4 1,-0.2 -1,-0.2 0.890 109.0 53.5 -58.9 -38.2 31.4 79.0 -18.7 90 172 A A H X S+ 0 0 7 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.923 114.5 39.3 -66.8 -44.2 31.7 82.1 -20.9 91 173 A Y H X S+ 0 0 142 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.860 110.0 57.6 -72.6 -42.5 32.0 80.1 -24.1 92 174 A L H X S+ 0 0 61 -4,-3.0 4,-1.9 -5,-0.2 -1,-0.2 0.849 107.2 53.0 -56.6 -29.5 29.5 77.4 -23.2 93 175 A S H X S+ 0 0 0 -4,-1.4 4,-2.0 -5,-0.3 -2,-0.2 0.902 103.0 53.0 -76.8 -40.2 27.1 80.4 -22.8 94 176 A Y H X S+ 0 0 86 -4,-1.4 4,-1.7 1,-0.2 3,-0.2 0.975 110.2 52.7 -52.0 -50.1 27.8 81.8 -26.3 95 177 A R H X S+ 0 0 79 -4,-2.4 4,-1.5 1,-0.2 3,-0.3 0.905 104.2 53.2 -51.9 -50.8 27.0 78.3 -27.5 96 178 A L H >X S+ 0 0 5 -4,-1.9 4,-2.2 1,-0.2 3,-0.7 0.924 108.6 50.3 -55.3 -43.9 23.6 78.1 -25.7 97 179 A E H 3< S+ 0 0 33 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.826 106.9 55.8 -66.9 -29.7 22.5 81.4 -27.3 98 180 A Q H 3< S+ 0 0 108 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.837 119.9 29.2 -66.6 -30.8 23.5 80.1 -30.7 99 181 A E H << S+ 0 0 139 -4,-1.5 2,-0.3 -3,-0.7 -2,-0.2 0.601 114.7 50.5-115.1 -10.2 21.3 77.0 -30.4 100 182 A Y S < S- 0 0 80 -4,-2.2 2,-0.1 -5,-0.2 -1,-0.0 -0.891 76.5-109.8-127.5 160.4 18.3 77.8 -28.2 101 183 A S > - 0 0 52 -2,-0.3 4,-1.4 1,-0.1 5,-0.1 -0.356 31.6-113.1 -78.8 164.6 15.7 80.5 -28.0 102 184 A K H > S+ 0 0 35 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.789 117.3 57.0 -74.1 -24.8 15.6 83.1 -25.2 103 185 A D H > S+ 0 0 80 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.959 103.1 52.7 -67.1 -48.8 12.4 81.6 -23.9 104 186 A D H > S+ 0 0 77 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.874 113.8 44.4 -48.7 -43.8 14.0 78.1 -23.5 105 187 A I H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.879 112.4 50.2 -74.4 -41.8 16.8 79.7 -21.5 106 188 A F H X S+ 0 0 1 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.945 109.7 51.9 -60.8 -49.7 14.5 81.9 -19.4 107 189 A Q H < S+ 0 0 43 -4,-3.2 4,-0.4 1,-0.2 -2,-0.2 0.926 110.1 48.4 -52.4 -48.2 12.3 78.9 -18.6 108 190 A V H >X S+ 0 0 7 -4,-1.9 4,-2.1 -5,-0.3 3,-1.5 0.933 110.3 51.6 -60.3 -43.3 15.4 76.9 -17.5 109 191 A Y H 3X S+ 0 0 1 -4,-2.4 4,-1.5 1,-0.3 -2,-0.2 0.914 108.4 51.2 -60.9 -43.4 16.6 79.8 -15.3 110 192 A L H 3< S+ 0 0 1 -4,-2.8 12,-1.2 1,-0.2 13,-0.5 0.494 116.1 44.2 -70.7 -3.9 13.1 80.1 -13.6 111 193 A N H <4 S+ 0 0 5 -3,-1.5 -2,-0.2 -4,-0.4 -1,-0.2 0.708 119.9 28.8-113.7 -23.3 13.3 76.4 -12.9 112 194 A K H < S+ 0 0 53 -4,-2.1 -3,-0.2 -5,-0.1 -2,-0.1 0.737 80.7 108.2-113.4 -21.4 16.9 75.6 -11.6 113 195 A I < - 0 0 11 -4,-1.5 8,-2.6 -5,-0.3 2,-0.2 -0.270 69.9-111.3 -66.8 145.9 18.4 78.6 -9.8 114 196 A Y B -G 120 0C 90 6,-0.2 6,-0.2 35,-0.2 -1,-0.1 -0.481 27.1-176.2 -80.3 138.4 18.8 78.3 -6.0 115 197 A Y - 0 0 2 4,-3.0 5,-0.1 1,-0.3 -1,-0.1 -0.049 51.0-103.7-119.4 29.3 16.8 80.4 -3.5 116 198 A S S > S+ 0 0 0 3,-0.3 3,-1.6 33,-0.1 -1,-0.3 0.205 98.2 63.5 68.6 162.0 18.4 79.1 -0.2 117 199 A D T 3 S- 0 0 26 1,-0.3 3,-0.1 -3,-0.1 -1,-0.1 0.855 130.5 -61.9 55.2 37.0 17.0 76.6 2.2 118 200 A G T 3 S+ 0 0 24 1,-0.2 -92,-0.7 -93,-0.1 2,-0.5 0.496 98.7 137.5 77.5 4.2 16.9 73.8 -0.4 119 201 A V E < -f 26 0C 0 -3,-1.6 -4,-3.0 -94,-0.1 2,-0.5 -0.736 31.1-172.1 -91.7 124.2 14.5 75.6 -2.8 120 202 A T E +fG 27 114C 47 -94,-2.2 -92,-0.5 -2,-0.5 4,-0.4 -0.980 51.2 11.7-115.4 130.3 15.2 75.5 -6.5 121 203 A G S > S- 0 0 0 -8,-2.6 4,-2.2 -2,-0.5 -10,-0.2 0.345 84.2 -87.4 89.2 149.3 13.2 77.6 -9.0 122 204 A I H > S+ 0 0 0 -12,-1.2 4,-2.4 1,-0.2 5,-0.2 0.775 117.6 57.9 -59.8 -35.2 10.7 80.5 -8.6 123 205 A K H > S+ 0 0 71 -13,-0.5 4,-1.8 -95,-0.4 -1,-0.2 0.966 111.7 40.7 -67.7 -51.5 7.5 78.4 -8.1 124 206 A A H > S+ 0 0 6 -96,-0.4 4,-2.8 -4,-0.4 5,-0.2 0.952 110.2 62.3 -58.7 -44.8 8.8 76.5 -5.1 125 207 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 5,-0.4 0.918 106.2 43.9 -44.8 -55.1 10.3 79.8 -3.9 126 208 A A H X>S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 6,-1.3 0.867 113.4 49.7 -65.6 -39.8 6.8 81.5 -3.6 127 209 A K H X5S+ 0 0 85 -4,-1.8 4,-0.9 4,-0.3 -1,-0.2 0.912 116.0 44.6 -59.5 -41.9 5.1 78.5 -2.0 128 210 A Y H <5S+ 0 0 14 -4,-2.8 71,-0.2 -5,-0.2 -2,-0.2 0.996 121.9 31.3 -70.4 -61.3 8.0 78.2 0.6 129 211 A Y H <5S+ 0 0 0 -4,-2.3 70,-2.6 -5,-0.2 -3,-0.2 0.898 139.1 12.7 -68.5 -43.4 8.5 81.8 1.7 130 212 A F H <5S- 0 0 5 -4,-1.6 -3,-0.2 -5,-0.4 -1,-0.2 0.395 89.4-121.3-121.9 4.4 4.9 83.2 1.3 131 213 A N S < - 0 0 77 -2,-0.3 3,-1.6 -3,-0.1 4,-0.5 -0.524 44.8-106.3 -72.4 155.1 0.9 80.7 -6.1 134 216 A L G > S+ 0 0 12 1,-0.3 3,-1.8 -2,-0.2 -1,-0.1 0.903 118.4 65.0 -59.5 -36.2 2.8 83.1 -8.4 135 217 A K G 3 S+ 0 0 156 1,-0.3 -1,-0.3 -101,-0.1 -100,-0.0 0.802 102.6 50.7 -51.7 -31.6 -0.5 84.8 -9.5 136 218 A D G < S+ 0 0 84 -3,-1.6 -1,-0.3 2,-0.0 -2,-0.2 0.478 79.3 117.5 -89.5 -9.5 -0.9 86.1 -5.9 137 219 A L < - 0 0 15 -3,-1.8 2,-0.1 -4,-0.5 -98,-0.1 -0.435 54.9-141.5 -67.3 132.6 2.5 87.7 -5.2 138 220 A N > - 0 0 38 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.459 33.3 -96.9 -77.7 166.0 2.5 91.4 -4.5 139 221 A L H > S+ 0 0 28 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.830 123.6 51.7 -54.0 -42.9 5.4 93.6 -5.9 140 222 A A H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.932 111.0 48.5 -60.9 -46.2 7.4 93.5 -2.7 141 223 A E H > S+ 0 0 1 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.908 116.2 43.9 -59.9 -41.6 7.2 89.8 -2.6 142 224 A E H X S+ 0 0 6 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.902 110.8 53.4 -69.0 -46.2 8.2 89.6 -6.3 143 225 A A H X S+ 0 0 0 -4,-3.4 4,-1.6 1,-0.2 -2,-0.2 0.945 110.7 48.3 -55.1 -47.2 11.0 92.2 -5.9 144 226 A Y H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.875 111.1 49.2 -63.1 -39.6 12.5 90.1 -3.1 145 227 A L H < S+ 0 0 0 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.856 109.1 52.0 -71.4 -35.2 12.3 86.9 -5.0 146 228 A A H < S+ 0 0 2 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.857 116.7 42.0 -60.7 -33.2 14.0 88.5 -8.1 147 229 A G H >< S+ 0 0 0 -4,-1.6 3,-1.7 -5,-0.2 4,-0.4 0.872 96.5 77.0 -85.5 -35.5 16.8 89.7 -5.7 148 230 A L G >< S+ 0 0 0 -4,-2.4 3,-1.0 1,-0.3 7,-0.2 0.800 85.7 57.8 -47.8 -49.3 17.3 86.6 -3.6 149 231 A P G 3 S+ 0 0 14 0, 0.0 -1,-0.3 0, 0.0 -35,-0.2 0.564 82.0 79.0 -74.9 -5.2 19.3 84.4 -5.9 150 232 A Q G < S- 0 0 98 -3,-1.7 -2,-0.1 1,-0.3 -3,-0.1 0.944 129.0 -7.5 -56.6 -45.0 22.3 86.6 -6.6 151 233 A V S <> S- 0 0 56 -3,-1.0 4,-0.6 -4,-0.4 -1,-0.3 -0.707 82.3-179.9-152.3 86.5 23.6 85.5 -3.2 152 234 A P T 4 S+ 0 0 23 0, 0.0 4,-0.5 0, 0.0 3,-0.4 0.784 71.7 52.3 -82.1 -30.5 20.9 83.5 -1.5 153 235 A N T 4 S+ 0 0 92 1,-0.2 3,-0.3 2,-0.2 6,-0.1 0.857 113.6 48.1 -69.9 -29.1 22.2 82.4 1.9 154 236 A N T 4 S+ 0 0 104 -3,-0.2 -1,-0.2 1,-0.2 9,-0.1 0.561 115.7 42.4 -84.2 -12.8 23.2 86.1 2.6 155 237 A Y S < S+ 0 0 52 -4,-0.6 2,-0.3 -3,-0.4 -1,-0.2 0.266 78.4 129.0-112.7 6.1 19.8 87.5 1.6 156 238 A N >> - 0 0 0 -4,-0.5 4,-2.6 -3,-0.3 3,-0.6 -0.514 55.5-142.8 -67.9 120.5 17.5 84.9 3.1 157 239 A I T 34 S+ 0 0 4 -2,-0.3 -1,-0.2 1,-0.2 8,-0.1 0.778 94.8 63.7 -54.6 -32.1 14.9 86.8 5.3 158 240 A Y T 34 S+ 0 0 48 1,-0.2 -1,-0.2 2,-0.2 -2,-0.0 0.946 119.9 20.3 -59.6 -49.1 14.9 84.1 8.0 159 241 A D T <4 S+ 0 0 83 -3,-0.6 -2,-0.2 1,-0.2 -1,-0.2 0.760 136.7 33.5 -86.1 -32.3 18.6 84.8 9.0 160 242 A H X + 0 0 82 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 -0.690 59.3 162.7-135.4 76.8 19.0 88.3 7.5 161 243 A P H > S+ 0 0 57 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.955 81.1 48.8 -64.7 -51.8 15.8 90.4 7.7 162 244 A K H > S+ 0 0 152 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.912 111.1 51.7 -49.6 -45.3 17.5 93.8 7.2 163 245 A A H > S+ 0 0 34 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.923 110.0 48.2 -66.2 -43.3 19.5 92.4 4.2 164 246 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.906 109.5 54.0 -62.0 -42.0 16.3 91.1 2.5 165 247 A E H X S+ 0 0 49 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.933 111.6 44.1 -58.6 -46.8 14.6 94.4 3.1 166 248 A D H X S+ 0 0 70 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.875 111.8 51.9 -71.9 -34.8 17.4 96.3 1.4 167 249 A R H X S+ 0 0 20 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.903 108.3 53.0 -63.1 -41.6 17.6 93.9 -1.5 168 250 A K H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.920 108.8 50.2 -56.3 -45.0 13.9 94.2 -2.0 169 251 A N H X S+ 0 0 53 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.903 109.2 50.5 -64.9 -41.5 14.3 98.0 -2.2 170 252 A T H X S+ 0 0 63 -4,-2.1 4,-2.4 2,-0.2 3,-0.3 0.968 110.4 48.8 -58.1 -53.0 17.1 97.7 -4.7 171 253 A V H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.3 5,-0.2 0.919 111.3 50.0 -57.5 -43.7 15.1 95.5 -7.0 172 254 A L H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -1,-0.3 0.852 109.3 53.5 -57.8 -38.2 12.1 97.9 -6.8 173 255 A Y H X S+ 0 0 122 -4,-2.1 4,-2.5 -3,-0.3 -1,-0.2 0.947 109.8 46.0 -60.7 -48.1 14.4 100.7 -7.6 174 256 A L H X S+ 0 0 40 -4,-2.4 4,-3.2 2,-0.2 -2,-0.2 0.885 108.5 55.1 -66.9 -42.8 15.7 98.9 -10.8 175 257 A X H <>S+ 0 0 2 -4,-2.6 5,-2.9 1,-0.2 6,-0.6 0.924 112.4 45.0 -52.9 -45.9 12.2 98.0 -11.9 176 258 A H H ><5S+ 0 0 44 -4,-1.9 3,-1.3 -5,-0.2 5,-0.3 0.927 113.1 50.0 -64.9 -43.4 11.4 101.6 -11.7 177 259 A Y H 3<5S+ 0 0 153 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.880 109.4 49.4 -65.3 -43.7 14.6 102.7 -13.4 178 260 A H T 3<5S- 0 0 57 -4,-3.2 -1,-0.3 -5,-0.1 -2,-0.2 0.166 117.7-114.3 -81.1 16.3 14.2 100.3 -16.4 179 261 A K T < 5S+ 0 0 187 -3,-1.3 -3,-0.2 -5,-0.1 -2,-0.1 0.840 77.9 129.3 54.9 43.7 10.6 101.6 -16.7 180 262 A R S > - 0 0 80 -2,-0.3 4,-2.4 1,-0.1 3,-0.5 -0.303 31.9-109.4 -77.5 162.2 5.0 103.4 -12.8 183 265 A D H 3> S+ 0 0 109 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.858 122.2 55.2 -50.6 -36.8 5.8 106.0 -10.3 184 266 A K H 3> S+ 0 0 150 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.738 108.5 44.0 -75.1 -27.2 2.5 105.0 -8.6 185 267 A Q H <> S+ 0 0 79 -3,-0.5 4,-3.7 2,-0.2 5,-0.2 0.910 113.6 51.2 -79.2 -45.6 3.3 101.3 -8.3 186 268 A W H X S+ 0 0 55 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.891 111.7 48.1 -52.9 -41.1 6.8 102.0 -7.0 187 269 A E H X S+ 0 0 95 -4,-1.7 4,-0.7 -5,-0.2 -1,-0.2 0.872 116.2 42.7 -75.3 -34.2 5.4 104.3 -4.5 188 270 A D H < S+ 0 0 92 -4,-1.0 4,-0.4 1,-0.2 3,-0.3 0.851 110.0 57.7 -76.6 -35.2 2.8 101.8 -3.4 189 271 A A H >< S+ 0 0 1 -4,-3.7 3,-0.6 1,-0.2 -2,-0.2 0.779 101.0 55.7 -67.4 -31.1 5.2 98.9 -3.4 190 272 A K H 3< S+ 0 0 80 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.835 101.1 58.7 -69.0 -34.9 7.6 100.6 -0.9 191 273 A K T 3< S+ 0 0 167 -4,-0.7 2,-0.3 -3,-0.3 -1,-0.2 0.569 86.0 102.2 -74.5 -9.6 4.7 100.9 1.6 192 274 A I S < S- 0 0 53 -3,-0.6 2,-0.7 -4,-0.4 3,-0.1 -0.595 74.7-127.7 -77.1 135.3 4.2 97.1 1.7 193 275 A D > - 0 0 98 -2,-0.3 3,-1.1 1,-0.2 4,-0.3 -0.725 13.4-156.8 -81.2 113.3 5.5 95.1 4.6 194 276 A L G > S+ 0 0 0 -2,-0.7 3,-0.6 1,-0.2 -1,-0.2 0.876 90.5 54.8 -56.5 -39.8 7.6 92.3 3.0 195 277 A K G > S+ 0 0 88 1,-0.2 3,-1.7 2,-0.1 -1,-0.2 0.608 77.2 99.5 -76.4 -11.7 7.2 90.1 6.2 196 278 A A G < S+ 0 0 68 -3,-1.1 -1,-0.2 1,-0.3 -2,-0.1 0.823 98.2 23.7 -42.9 -45.7 3.3 90.2 6.2 197 279 A N G < S+ 0 0 69 -3,-0.6 -1,-0.3 -4,-0.3 2,-0.1 0.302 86.7 138.4-109.4 10.9 2.9 86.8 4.6 198 280 A L < - 0 0 40 -3,-1.7 -68,-0.2 -4,-0.1 2,-0.2 -0.374 63.5-111.2 -59.1 123.0 6.3 85.3 5.6 199 281 A V - 0 0 35 -70,-2.6 2,-0.4 -71,-0.2 -1,-0.1 -0.383 29.5-118.9 -65.9 126.4 5.5 81.7 6.6 200 282 A N + 0 0 156 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.1 -0.504 50.4 162.5 -70.4 121.0 6.1 81.4 10.3 201 283 A R - 0 0 64 -2,-0.4 -3,-0.0 -3,-0.0 -1,-0.0 -0.999 35.2-140.4-152.4 139.5 8.8 78.8 10.8 202 284 A T > - 0 0 65 -2,-0.3 4,-1.8 1,-0.1 3,-0.1 -0.493 38.6-105.6 -92.1 167.1 11.4 77.5 13.3 203 285 A P H > S+ 0 0 77 0, 0.0 4,-0.9 0, 0.0 5,-0.1 0.782 118.0 53.9 -75.8 -25.8 14.9 76.5 12.3 204 286 A E H > S+ 0 0 133 2,-0.2 4,-2.1 1,-0.2 3,-0.4 0.903 108.4 51.4 -67.5 -39.2 14.4 72.7 12.4 205 287 A E H 4 S+ 0 0 96 1,-0.2 -1,-0.2 2,-0.2 -4,-0.0 0.873 103.5 58.8 -64.4 -36.4 11.4 73.1 10.0 206 288 A R H < S+ 0 0 30 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.838 116.0 34.8 -58.9 -32.4 13.7 75.1 7.7 207 289 A Q H < S+ 0 0 160 -4,-0.9 2,-1.2 -3,-0.4 -2,-0.2 0.697 93.5 99.7 -94.8 -21.0 15.9 72.1 7.5 208 290 A N < + 0 0 124 -4,-2.1 2,-0.4 -5,-0.1 -1,-0.1 -0.553 43.8 169.6 -77.0 96.3 13.3 69.3 7.7 209 291 A I - 0 0 42 -2,-1.2 2,-1.1 -183,-0.0 3,-0.1 -0.904 32.5-134.6 -98.4 132.4 12.7 68.0 4.2 210 292 A D + 0 0 79 -2,-0.4 3,-0.4 -186,-0.3 -2,-0.0 -0.778 35.9 163.6 -94.3 97.3 10.6 64.8 4.1 211 293 A T + 0 0 81 -2,-1.1 -1,-0.2 1,-0.2 -188,-0.1 0.636 64.2 65.3 -85.1 -16.6 12.4 62.7 1.7 212 294 A N + 0 0 44 -3,-0.1 3,-0.4 -188,-0.1 -1,-0.2 -0.230 64.5 138.4-112.9 38.1 10.7 59.4 2.8 213 295 A Q + 0 0 94 -3,-0.4 -190,-0.0 1,-0.2 -189,-0.0 -0.261 68.9 24.4 -65.6 169.4 7.0 59.9 1.8 214 296 A D S > S+ 0 0 81 1,-0.1 3,-1.6 2,-0.1 -1,-0.2 0.829 79.3 172.7 36.3 54.6 5.1 57.0 0.2 215 297 A S G > + 0 0 34 -3,-0.4 3,-1.4 1,-0.3 4,-0.3 0.679 57.9 78.3 -77.4 -16.5 7.6 54.7 2.0 216 298 A E G 3 S+ 0 0 50 1,-0.2 -1,-0.3 2,-0.1 4,-0.3 0.672 94.8 51.7 -63.6 -13.8 5.8 51.4 1.1 217 299 A Y G <> S+ 0 0 7 -3,-1.6 4,-2.8 1,-0.1 5,-0.3 0.517 77.1 101.5 -98.5 -5.7 7.3 51.7 -2.4 218 300 A N H <> S+ 0 0 15 -3,-1.4 4,-1.6 1,-0.2 -1,-0.1 0.820 85.6 44.3 -50.1 -41.0 11.0 52.2 -1.4 219 301 A S H > S+ 0 0 0 -4,-0.3 4,-1.7 74,-0.2 -1,-0.2 0.945 113.3 49.6 -72.4 -48.5 11.9 48.6 -2.1 220 302 A Y H >> S+ 0 0 2 73,-0.4 4,-2.2 -4,-0.3 3,-0.9 0.968 109.6 52.0 -51.6 -58.7 10.1 48.4 -5.4 221 303 A V H 3X S+ 0 0 11 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.862 106.9 54.5 -44.9 -45.4 11.7 51.7 -6.6 222 304 A N H 3X S+ 0 0 37 -4,-1.6 4,-1.1 -5,-0.3 -1,-0.2 0.841 107.6 49.2 -60.2 -37.9 15.2 50.2 -5.8 223 305 A F H XX S+ 0 0 23 -4,-1.7 4,-2.2 -3,-0.9 3,-0.7 0.950 108.0 54.3 -63.4 -50.4 14.6 47.1 -7.9 224 306 A V H 3X S+ 0 0 3 -4,-2.2 4,-3.2 1,-0.3 -2,-0.2 0.879 103.6 55.3 -55.4 -42.2 13.5 49.3 -10.8 225 307 A K H 3X S+ 0 0 57 -4,-1.9 4,-0.9 1,-0.2 -1,-0.3 0.830 110.3 46.5 -60.6 -36.2 16.7 51.4 -10.7 226 308 A S H << S+ 0 0 80 -4,-1.1 4,-0.3 -3,-0.7 -1,-0.2 0.896 119.0 39.5 -70.5 -44.1 18.8 48.2 -11.1 227 309 A E H >< S+ 0 0 27 -4,-2.2 3,-1.0 1,-0.2 4,-0.4 0.805 104.1 69.1 -78.0 -32.3 16.6 46.8 -13.9 228 310 A L H >< S+ 0 0 0 -4,-3.2 3,-1.1 1,-0.2 6,-0.3 0.924 100.8 45.9 -48.7 -52.5 16.1 50.1 -15.7 229 311 A X T 3< S+ 0 0 26 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.574 91.3 81.0 -78.6 -9.7 19.7 50.4 -16.8 230 312 A N T < S+ 0 0 104 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.1 0.624 75.1 95.6 -71.1 -13.8 20.1 46.7 -18.0 231 313 A N S <> S- 0 0 18 -3,-1.1 4,-1.9 -4,-0.4 3,-0.2 -0.372 87.4-113.7 -74.6 156.7 18.4 47.6 -21.3 232 314 A K T 4 S+ 0 0 195 1,-0.2 3,-0.1 2,-0.2 -1,-0.1 0.938 110.9 58.8 -50.0 -56.5 20.3 48.5 -24.5 233 315 A A T 4 S+ 0 0 51 1,-0.2 -1,-0.2 2,-0.1 -4,-0.1 0.870 117.1 28.5 -44.5 -47.5 19.0 52.1 -24.6 234 316 A F T >4 S+ 0 0 24 -6,-0.3 2,-3.2 -3,-0.2 3,-2.8 0.709 85.0 97.5 -99.0 -26.0 20.4 53.1 -21.2 235 317 A K T 3< S+ 0 0 137 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.1 -0.186 86.0 56.0 -67.2 48.9 23.6 50.9 -20.4 236 318 A D T 3 S+ 0 0 126 -2,-3.2 -1,-0.3 -3,-0.1 2,-0.2 0.245 97.7 93.5-133.6 -6.1 25.9 53.8 -21.6 237 319 A E S < S- 0 0 113 -3,-2.8 2,-0.8 -8,-0.1 3,-0.0 -0.560 80.7-103.7-122.3 156.9 24.5 56.4 -19.2 238 320 A N >> - 0 0 108 -2,-0.2 4,-1.6 1,-0.2 3,-1.6 -0.550 31.4-149.1 -71.8 102.1 24.7 58.2 -15.9 239 321 A L H 3> S+ 0 0 64 -2,-0.8 4,-1.8 1,-0.3 -1,-0.2 0.835 97.9 53.8 -44.1 -46.3 21.9 56.7 -13.8 240 322 A G H 34 S+ 0 0 47 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.886 109.0 49.9 -54.0 -41.0 21.4 60.0 -12.0 241 323 A N H X4 S+ 0 0 70 -3,-1.6 3,-1.9 1,-0.2 -2,-0.2 0.947 106.6 52.5 -65.5 -51.9 21.0 61.7 -15.3 242 324 A V H >< S+ 0 0 9 -4,-1.6 3,-1.3 1,-0.3 5,-0.4 0.888 102.5 60.2 -49.6 -46.7 18.4 59.3 -16.8 243 325 A L T 3< S+ 0 0 12 -4,-1.8 -235,-1.4 1,-0.3 -1,-0.3 0.349 103.4 52.8 -68.4 5.5 16.1 59.7 -13.6 244 326 A Q T < S+ 0 0 77 -3,-1.9 -238,-0.8 -237,-0.2 -1,-0.3 0.030 88.1 84.8-128.2 28.7 15.8 63.5 -14.3 245 327 A S B < S-a 6 0A 41 -3,-1.3 206,-0.6 -240,-0.2 -1,-0.1 -0.483 103.1 -92.3-137.7 59.0 14.6 63.5 -17.9 246 328 A G + 0 0 10 -240,-1.4 -3,-0.1 1,-0.1 -237,-0.1 0.373 66.1 158.8 59.1 2.8 10.8 63.0 -18.2 247 329 A I - 0 0 5 -5,-0.4 -238,-1.9 -241,-0.2 2,-0.5 -0.187 30.3-150.9 -64.2 150.6 10.7 59.2 -18.5 248 330 A K E -cD 9 449B 71 201,-1.6 201,-1.9 -240,-0.2 2,-0.4 -0.975 9.8-162.5-121.0 112.0 7.5 57.3 -17.6 249 331 A I E -cD 10 448B 5 -240,-2.4 -238,-3.0 -2,-0.5 2,-0.5 -0.836 1.9-159.6 -92.5 130.9 8.1 53.8 -16.3 250 332 A Y E -cD 11 447B 51 197,-2.3 196,-2.2 -2,-0.4 197,-1.0 -0.955 21.0-173.7-113.8 125.4 5.1 51.4 -16.4 251 333 A T E - D 0 445B 0 -240,-2.3 -236,-0.2 -2,-0.5 194,-0.2 -0.530 41.3-116.5-119.1 176.9 5.4 48.4 -14.1 252 334 A N + 0 0 31 192,-1.8 -240,-0.1 38,-0.2 193,-0.1 0.138 68.0 134.6 -92.5 13.8 3.9 45.1 -12.9 253 335 A X - 0 0 2 -242,-0.3 -240,-2.8 191,-0.2 2,-0.6 -0.404 49.8-148.5 -62.5 140.4 3.4 46.5 -9.4 254 336 A D > - 0 0 20 37,-1.8 4,-2.7 -242,-0.2 5,-0.2 -0.975 11.0-152.0-104.5 106.3 0.1 45.9 -7.7 255 337 A K H > S+ 0 0 53 -2,-0.6 4,-1.9 1,-0.2 5,-0.2 0.884 91.6 44.5 -42.6 -52.1 -0.4 49.0 -5.6 256 338 A D H > S+ 0 0 100 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.896 112.3 50.0 -70.6 -41.5 -2.5 47.3 -2.9 257 339 A V H > S+ 0 0 9 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.917 109.2 53.2 -65.2 -40.7 -0.4 44.1 -2.6 258 340 A Q H X S+ 0 0 0 -4,-2.7 4,-2.2 33,-0.3 5,-0.3 0.910 109.2 48.0 -58.4 -44.8 2.7 46.2 -2.2 259 341 A K H X S+ 0 0 74 -4,-1.9 4,-2.5 -5,-0.2 5,-0.3 0.918 112.1 50.9 -62.5 -41.7 1.1 48.2 0.7 260 342 A T H X S+ 0 0 34 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.986 110.8 48.2 -59.5 -56.0 -0.0 45.0 2.4 261 343 A L H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.923 116.7 40.0 -47.4 -58.8 3.4 43.4 2.1 262 344 A Q H X S+ 0 0 5 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.826 111.5 56.6 -70.8 -30.1 5.3 46.4 3.6 263 345 A N H X S+ 0 0 85 -4,-2.5 4,-3.2 -5,-0.3 -1,-0.2 0.924 111.5 44.0 -68.5 -39.1 2.7 47.2 6.2 264 346 A D H X S+ 0 0 20 -4,-2.4 4,-1.8 -5,-0.3 -2,-0.2 0.848 109.5 55.9 -71.5 -31.7 3.0 43.6 7.6 265 347 A V H < S+ 0 0 0 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.963 118.2 35.5 -64.7 -43.3 6.8 43.7 7.3 266 348 A D H < S+ 0 0 54 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.926 126.9 34.3 -74.9 -44.5 6.8 46.8 9.5 267 349 A N H < S+ 0 0 116 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.556 87.9 118.8 -95.8 -6.3 3.9 46.1 11.8 268 350 A G < - 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