==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 18-APR-11 3RKX . COMPND 2 MOLECULE: BIOTIN-[ACETYL-COA-CARBOXYLASE] LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR M.C.J.WILCE . 308 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15276.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 67 21.8 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 . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 . 28 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 25.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 0 0 1 0 2 1 0 0 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 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 0 PARALLEL BRIDGES PER LADDER . 1 0 1 4 3 0 0 1 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 . 0 1 0 1 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 3 A K > 0 0 171 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -54.8 18.7 2.4 24.5 2 4 A Y H > + 0 0 118 2,-0.2 4,-2.4 3,-0.1 5,-0.3 0.896 360.0 57.6 -60.4 -47.3 19.8 3.6 27.9 3 5 A S H > S+ 0 0 14 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.913 108.0 43.1 -44.6 -55.7 16.8 5.9 27.3 4 6 A Q H > S+ 0 0 44 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.880 111.3 52.6 -66.5 -41.2 14.4 3.0 26.9 5 7 A D H X S+ 0 0 42 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.903 113.1 44.7 -66.5 -40.4 15.6 0.9 29.8 6 8 A V H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.939 115.5 47.2 -64.5 -49.3 15.3 3.8 32.2 7 9 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 -5,-0.3 -2,-0.2 0.910 112.8 49.5 -58.3 -46.5 11.9 4.8 30.9 8 10 A Q H X S+ 0 0 27 -4,-3.3 4,-2.9 2,-0.2 -1,-0.2 0.925 111.7 48.8 -58.4 -46.5 10.7 1.1 31.0 9 11 A L H X S+ 0 0 34 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.929 112.6 48.6 -58.2 -46.7 12.0 0.9 34.6 10 12 A L H X S+ 0 0 3 -4,-2.9 4,-0.7 2,-0.2 48,-0.3 0.900 112.2 48.0 -59.3 -46.0 10.2 4.1 35.4 11 13 A Y H >< S+ 0 0 59 -4,-2.9 3,-1.3 1,-0.2 -2,-0.2 0.956 111.2 50.5 -61.6 -53.6 7.0 3.0 33.8 12 14 A K H 3< S+ 0 0 138 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.882 108.9 53.4 -47.1 -46.1 7.1 -0.4 35.6 13 15 A N H >< S+ 0 0 52 -4,-2.1 3,-2.8 -5,-0.2 -1,-0.2 0.567 88.6 161.8 -78.5 -9.6 7.7 1.3 38.9 14 16 A K T << + 0 0 89 -3,-1.3 3,-0.1 -4,-0.7 45,-0.1 -0.233 60.0 21.7 -50.2 142.2 4.7 3.7 38.8 15 17 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.4 0, 0.0 2,-0.3 -0.818 112.3 83.8-100.3 35.2 3.4 5.1 40.9 16 18 A N S < S- 0 0 99 -3,-2.8 42,-0.3 -6,-0.1 2,-0.3 -0.656 71.8-125.4 -92.1 147.4 6.6 4.8 43.0 17 19 A Y - 0 0 57 -2,-0.3 2,-0.4 40,-0.1 40,-0.2 -0.635 25.0-161.2 -79.2 146.9 9.6 7.0 42.9 18 20 A I B -A 56 0A 12 38,-1.5 38,-3.2 -2,-0.3 36,-0.1 -0.997 18.2-115.5-133.4 142.9 12.9 5.2 42.3 19 21 A S > - 0 0 47 -2,-0.4 4,-2.4 36,-0.3 5,-0.2 -0.257 20.0-117.1 -78.7 157.8 16.3 6.7 43.1 20 22 A G H > S+ 0 0 24 1,-0.2 4,-2.8 2,-0.2 -1,-0.1 0.851 119.1 52.7 -57.1 -32.6 19.0 7.5 40.6 21 23 A Q H > S+ 0 0 86 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.898 105.5 50.5 -73.3 -43.3 21.1 4.9 42.4 22 24 A S H > S+ 0 0 40 2,-0.2 4,-3.6 1,-0.2 5,-0.3 0.959 114.5 45.3 -57.2 -50.2 18.4 2.1 42.1 23 25 A I H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.957 112.1 52.0 -55.6 -52.9 18.2 2.9 38.4 24 26 A A H X>S+ 0 0 8 -4,-2.8 5,-2.0 -5,-0.2 4,-1.3 0.909 117.1 39.9 -46.9 -48.8 22.0 2.9 38.2 25 27 A E H <5S+ 0 0 123 -4,-3.0 -2,-0.2 2,-0.2 -1,-0.2 0.891 114.9 48.8 -73.0 -45.3 22.2 -0.5 39.9 26 28 A S H <5S+ 0 0 81 -4,-3.6 -2,-0.2 1,-0.2 -1,-0.2 0.875 123.2 34.8 -62.5 -37.3 19.2 -2.2 38.2 27 29 A L H <5S- 0 0 44 -4,-2.8 -2,-0.2 -5,-0.3 -1,-0.2 0.648 104.5-130.1 -92.3 -17.8 20.5 -1.1 34.9 28 30 A N T <5 + 0 0 147 -4,-1.3 2,-0.3 -5,-0.3 -3,-0.2 0.988 63.1 120.3 61.9 61.5 24.2 -1.4 35.7 29 31 A I S > - 0 0 64 -2,-0.3 4,-1.7 1,-0.1 3,-0.7 -0.281 36.2-123.3 -63.1 143.1 27.0 5.0 36.0 31 33 A R H 3> S+ 0 0 152 1,-0.3 4,-1.3 2,-0.2 -1,-0.1 0.794 115.2 57.0 -55.0 -28.8 24.9 7.3 38.2 32 34 A T H 3> S+ 0 0 70 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.868 100.9 55.2 -71.4 -37.3 25.9 10.1 35.9 33 35 A A H <> S+ 0 0 15 -3,-0.7 4,-2.9 1,-0.2 -2,-0.2 0.917 106.1 52.3 -58.3 -43.4 24.5 8.2 32.8 34 36 A V H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.862 108.2 51.7 -62.2 -36.7 21.2 8.0 34.6 35 37 A K H X S+ 0 0 147 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.927 111.3 45.6 -66.6 -44.7 21.3 11.8 35.1 36 38 A K H X S+ 0 0 120 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.930 115.4 48.3 -62.5 -44.2 21.9 12.5 31.5 37 39 A V H X S+ 0 0 5 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.877 108.8 52.4 -66.1 -41.0 19.2 10.0 30.5 38 40 A I H X S+ 0 0 4 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.942 113.4 43.8 -59.2 -48.3 16.6 11.4 32.9 39 41 A D H X S+ 0 0 111 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.887 111.5 55.7 -63.5 -40.6 17.2 14.9 31.5 40 42 A Q H X S+ 0 0 88 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.893 108.2 47.4 -54.7 -46.1 17.1 13.5 28.0 41 43 A L H <>S+ 0 0 0 -4,-2.3 5,-2.5 2,-0.2 4,-0.3 0.905 112.6 48.3 -66.2 -44.1 13.7 11.9 28.5 42 44 A K H ><5S+ 0 0 70 -4,-2.2 3,-1.8 1,-0.2 -2,-0.2 0.922 108.7 55.4 -59.9 -41.7 12.4 15.1 30.0 43 45 A L H 3<5S+ 0 0 148 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.882 105.0 53.3 -57.8 -36.8 13.8 16.9 27.0 44 46 A E T 3<5S- 0 0 83 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.503 132.1 -91.9 -80.1 -3.2 11.9 14.6 24.8 45 47 A G T < 5S+ 0 0 41 -3,-1.8 2,-0.4 1,-0.3 -3,-0.2 0.490 75.0 145.1 108.7 3.9 8.7 15.5 26.6 46 48 A C < - 0 0 5 -5,-2.5 2,-1.2 -6,-0.1 -1,-0.3 -0.625 47.9-134.5 -72.9 129.1 8.3 12.9 29.3 47 49 A K E +B 60 0A 110 13,-2.8 12,-3.6 -2,-0.4 13,-1.1 -0.742 37.7 169.2 -85.2 98.8 6.8 14.4 32.4 48 50 A I E -B 58 0A 14 -2,-1.2 2,-0.5 10,-0.2 10,-0.2 -0.956 26.1-145.1-116.1 124.5 9.1 13.0 35.1 49 51 A D E -B 57 0A 55 8,-3.2 8,-2.0 -2,-0.5 2,-0.5 -0.777 15.4-168.2 -91.9 129.0 9.0 14.3 38.6 50 52 A S E +B 56 0A 43 -2,-0.5 2,-0.4 6,-0.2 6,-0.2 -0.958 7.8 177.8-123.1 120.1 12.3 14.4 40.4 51 53 A V E >> -B 55 0A 43 4,-2.2 4,-2.4 -2,-0.5 3,-1.9 -0.967 34.6-103.7-128.0 132.3 12.5 15.0 44.1 52 54 A N T 34 S+ 0 0 147 -2,-0.4 -1,-0.0 1,-0.3 -2,-0.0 -0.151 104.3 8.3 -47.5 138.1 15.5 15.1 46.4 53 55 A H T 34 S+ 0 0 205 1,-0.2 -1,-0.3 0, 0.0 -34,-0.1 0.266 128.0 60.2 74.9 -13.4 15.9 12.0 48.6 54 56 A K T <4 S- 0 0 117 -3,-1.9 2,-0.4 1,-0.2 -2,-0.2 0.769 86.9-146.0-113.9 -42.1 13.2 10.1 46.7 55 57 A G E < - B 0 51A 10 -4,-2.4 -4,-2.2 -38,-0.1 2,-0.3 -0.840 39.3 -15.6 111.2-144.0 14.1 9.8 43.0 56 58 A H E -AB 18 50A 31 -38,-3.2 -38,-1.5 -2,-0.4 2,-0.4 -0.780 40.2-170.7-118.2 144.2 12.1 9.9 39.8 57 59 A L E - B 0 49A 24 -8,-2.0 -8,-3.2 -2,-0.3 2,-0.4 -0.930 20.1-139.7-136.7 111.4 8.5 9.4 38.9 58 60 A L E + B 0 48A 1 -2,-0.4 -10,-0.2 -48,-0.3 3,-0.1 -0.546 28.3 170.8 -64.4 120.2 7.1 9.0 35.4 59 61 A Q E - 0 0 76 -12,-3.6 2,-0.3 -2,-0.4 -11,-0.2 0.699 60.8 -6.0-105.8 -29.0 3.9 11.1 35.5 60 62 A Q E - B 0 47A 85 -13,-1.1 -13,-2.8 0, 0.0 -1,-0.4 -0.857 60.1-131.1-173.1 129.7 2.9 11.2 31.8 61 63 A L - 0 0 27 -2,-0.3 -15,-0.1 -15,-0.2 168,-0.1 -0.564 29.3-125.1 -81.5 150.9 4.3 10.1 28.5 62 64 A P - 0 0 21 0, 0.0 2,-2.2 0, 0.0 -1,-0.1 -0.246 41.2 -77.0 -87.2-179.8 4.4 12.5 25.5 63 65 A D S S+ 0 0 67 -2,-0.1 2,-0.3 2,-0.1 164,-0.0 -0.343 99.6 93.0 -80.4 58.2 2.9 12.0 22.0 64 66 A I S S- 0 0 52 -2,-2.2 2,-0.5 -19,-0.0 23,-0.1 -0.986 77.7-110.1-147.5 152.1 5.6 9.7 20.8 65 67 A W - 0 0 10 -2,-0.3 2,-0.6 21,-0.2 47,-0.1 -0.710 28.0-161.4 -87.9 125.7 6.1 5.9 20.7 66 68 A Y >> - 0 0 5 -2,-0.5 4,-2.3 1,-0.1 3,-0.8 -0.936 13.9-150.6-111.7 121.3 8.7 4.5 23.0 67 69 A Q H 3> S+ 0 0 47 -2,-0.6 4,-2.5 1,-0.2 -1,-0.1 0.886 95.6 57.5 -49.3 -46.0 10.1 1.1 22.4 68 70 A G H 34 S+ 0 0 0 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.798 111.4 39.9 -64.0 -32.8 10.8 0.5 26.1 69 71 A I H X> S+ 0 0 0 -3,-0.8 4,-0.8 2,-0.2 3,-0.7 0.840 111.3 55.9 -85.7 -32.1 7.2 1.0 27.1 70 72 A I H >X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 3,-1.1 0.899 98.7 65.2 -61.7 -40.2 5.6 -0.8 24.1 71 73 A D H 3X S+ 0 0 44 -4,-2.5 4,-1.5 1,-0.3 -1,-0.2 0.811 93.4 60.4 -48.2 -36.1 7.7 -3.8 25.2 72 74 A Q H <> S+ 0 0 34 -3,-0.7 4,-0.9 -4,-0.4 -1,-0.3 0.861 102.9 51.1 -64.9 -34.2 5.7 -4.0 28.4 73 75 A Y H << S+ 0 0 21 -3,-1.1 3,-0.3 -4,-0.8 -2,-0.2 0.895 111.2 46.8 -67.4 -40.3 2.5 -4.5 26.4 74 76 A T H >< S+ 0 0 15 -4,-1.5 3,-0.7 1,-0.2 -2,-0.2 0.694 102.1 64.1 -79.2 -18.9 4.1 -7.4 24.3 75 77 A K H 3< S+ 0 0 133 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.841 106.9 44.1 -69.1 -32.2 5.5 -9.1 27.5 76 78 A S T 3< S+ 0 0 102 -4,-0.9 2,-0.5 -3,-0.3 -1,-0.2 0.313 99.2 101.6 -92.1 9.1 1.9 -9.7 28.6 77 79 A S < - 0 0 23 -3,-0.7 -3,-0.0 3,-0.2 160,-0.0 -0.829 52.9-166.5-101.7 127.0 0.8 -10.7 25.1 78 80 A A S S+ 0 0 92 -2,-0.5 -1,-0.1 1,-0.1 -4,-0.0 0.855 92.2 41.4 -65.8 -36.3 0.3 -14.3 24.0 79 81 A L S S+ 0 0 23 1,-0.1 2,-0.7 2,-0.0 27,-0.2 0.949 100.2 65.2 -84.3 -54.2 0.2 -13.3 20.4 80 82 A F - 0 0 4 1,-0.2 -3,-0.2 25,-0.1 27,-0.2 -0.627 53.3-168.6 -86.5 110.7 2.9 -10.7 19.7 81 83 A D S S- 0 0 97 25,-2.8 2,-0.3 -2,-0.7 26,-0.2 0.774 72.6 -33.5 -64.9 -26.4 6.5 -11.9 20.2 82 84 A F E -c 107 0B 63 24,-0.5 26,-1.3 2,-0.0 2,-0.3 -0.950 57.4-123.6-177.4 166.5 7.8 -8.4 20.0 83 85 A S E -c 108 0B 5 -2,-0.3 2,-0.5 24,-0.2 26,-0.2 -0.964 10.9-144.4-123.2 148.6 7.2 -5.0 18.5 84 86 A E E -c 109 0B 51 24,-2.7 26,-2.9 -2,-0.3 2,-0.5 -0.955 19.4-163.1-104.5 129.5 9.5 -2.7 16.4 85 87 A V E -c 110 0B 25 -2,-0.5 2,-0.3 24,-0.2 26,-0.2 -0.943 8.1-177.2-117.4 130.3 9.0 1.0 17.0 86 88 A Y E -c 111 0B 73 24,-2.5 26,-1.8 -2,-0.5 -21,-0.2 -0.894 30.3-143.3-122.1 153.6 10.2 3.7 14.7 87 89 A D E S- 0 0 120 1,-0.3 26,-1.6 -2,-0.3 2,-0.3 0.918 89.5 -8.9 -71.4 -48.8 10.2 7.5 14.8 88 90 A S E +c 113 0B 47 24,-0.2 -1,-0.3 23,-0.1 2,-0.3 -0.991 67.5 152.1-155.8 139.1 9.6 7.7 11.0 89 91 A I E -c 114 0B 36 24,-1.5 26,-1.9 -2,-0.3 3,-0.2 -0.928 45.5-113.2-154.0 173.9 9.6 5.4 8.0 90 92 A D S S+ 0 0 116 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.928 95.0 1.6 -79.3 -48.9 7.9 5.3 4.7 91 93 A S > - 0 0 41 1,-0.1 4,-2.0 23,-0.1 -1,-0.3 -0.934 47.3-158.8-150.5 115.4 5.6 2.3 5.1 92 94 A T H > S+ 0 0 2 -2,-0.3 4,-2.4 1,-0.2 33,-0.1 0.781 100.1 58.7 -62.3 -26.1 5.1 0.0 8.1 93 95 A Q H > S+ 0 0 17 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.946 103.8 48.3 -70.1 -47.8 3.8 -2.5 5.6 94 96 A L H > S+ 0 0 87 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.927 115.3 45.9 -56.1 -45.3 7.0 -2.6 3.6 95 97 A A H X S+ 0 0 19 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.874 112.0 51.1 -64.6 -42.7 9.0 -3.0 6.8 96 98 A A H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.958 110.3 49.2 -57.9 -51.2 6.7 -5.7 8.1 97 99 A K H < S+ 0 0 67 -4,-3.1 4,-0.4 1,-0.2 -2,-0.2 0.820 113.2 47.1 -60.2 -34.2 7.0 -7.6 4.8 98 100 A K H >< S+ 0 0 144 -4,-1.8 3,-0.7 -5,-0.2 -1,-0.2 0.872 111.5 51.7 -71.1 -38.5 10.8 -7.4 5.0 99 101 A S H 3< S+ 0 0 34 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.712 99.9 61.1 -74.8 -22.6 10.9 -8.4 8.7 100 102 A L T >< S+ 0 0 2 -4,-1.5 3,-1.3 -5,-0.1 -1,-0.2 0.674 77.6 109.7 -83.7 -14.8 8.9 -11.6 8.4 101 103 A V T < S+ 0 0 96 -3,-0.7 3,-0.1 -4,-0.4 -3,-0.0 -0.357 83.6 12.5 -64.3 134.2 11.2 -13.3 6.0 102 104 A G T 3 S+ 0 0 82 1,-0.2 2,-0.3 -2,-0.1 -1,-0.2 0.654 118.7 67.5 76.9 16.5 13.2 -16.2 7.4 103 105 A N < - 0 0 56 -3,-1.3 -1,-0.2 2,-0.1 0, 0.0 -0.953 69.0-136.6-152.8 172.0 11.1 -16.6 10.6 104 106 A Q + 0 0 132 -2,-0.3 25,-0.1 -3,-0.1 -4,-0.1 -0.066 54.6 144.0-121.0 28.9 7.7 -17.5 11.9 105 107 A S - 0 0 31 -5,-0.2 2,-0.4 23,-0.1 -2,-0.1 -0.277 42.6-145.9 -68.5 150.4 7.4 -14.6 14.3 106 108 A S + 0 0 14 -27,-0.2 -25,-2.8 22,-0.1 -24,-0.5 -0.982 46.0 121.9-112.2 134.7 4.2 -12.8 15.1 107 109 A F E -cD 82 127B 0 20,-1.6 20,-3.2 -2,-0.4 2,-0.3 -0.956 45.0-119.4-169.7 177.5 4.8 -9.2 15.9 108 110 A F E -cD 83 126B 0 -26,-1.3 -24,-2.7 -2,-0.3 2,-0.4 -0.968 7.5-139.5-141.7 164.6 4.0 -5.6 14.9 109 111 A I E -cD 84 125B 0 16,-2.9 16,-1.9 -2,-0.3 2,-0.4 -0.975 17.3-170.7-122.1 130.2 5.6 -2.4 13.7 110 112 A L E -cD 85 124B 0 -26,-2.9 -24,-2.5 -2,-0.4 2,-0.4 -0.935 3.8-176.3-116.8 145.6 4.7 1.1 14.9 111 113 A S E -cD 86 123B 0 12,-2.0 12,-1.0 -2,-0.4 -24,-0.2 -0.989 23.7-150.0-138.8 134.2 5.8 4.4 13.5 112 114 A D E S+ 0 0 14 -26,-1.8 9,-0.5 -2,-0.4 2,-0.4 0.922 93.3 27.6 -60.0 -42.7 5.0 7.8 14.9 113 115 A E E -c 88 0B 68 -26,-1.6 -24,-1.5 -27,-0.2 2,-0.5 -0.966 64.1-166.0-126.3 133.5 5.2 9.2 11.4 114 116 A Q E c 89 0B 66 -2,-0.4 -24,-0.2 -26,-0.2 -23,-0.1 -0.931 360.0 360.0-120.8 107.1 4.5 7.5 8.1 115 117 A T 0 0 114 -26,-1.9 -2,-0.0 -2,-0.5 -27,-0.0 -0.523 360.0 360.0 -77.0 360.0 5.8 9.6 5.2 116 ! 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 0.0 117 130 A S > 0 0 76 0, 0.0 3,-1.1 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 78.5 0.3 16.9 11.8 118 131 A K T 3 - 0 0 95 1,-0.3 -5,-0.1 2,-0.1 -55,-0.1 -0.291 360.0 -35.3 -56.9 98.5 3.1 16.3 14.3 119 132 A G T 3 S+ 0 0 4 -2,-0.7 -1,-0.3 1,-0.1 -6,-0.1 0.905 91.5 136.0 55.6 55.0 2.5 12.7 15.5 120 133 A Q < + 0 0 31 -3,-1.1 80,-1.8 -8,-0.1 81,-1.8 0.479 53.4 69.4-109.8 -4.1 -1.3 12.6 15.4 121 134 A G E - E 0 199B 1 -9,-0.5 2,-0.6 -4,-0.3 78,-0.2 -0.794 69.5-134.4-116.0 157.4 -1.7 9.2 13.8 122 135 A L E - E 0 198B 0 76,-2.9 76,-2.1 -2,-0.3 2,-0.6 -0.950 23.7-175.6-109.7 111.3 -1.2 5.6 14.7 123 136 A W E +DE 111 197B 56 -12,-1.0 -12,-2.0 -2,-0.6 2,-0.3 -0.959 16.7 158.1-109.8 118.0 0.6 3.7 11.9 124 137 A M E -DE 110 196B 0 72,-2.2 72,-3.9 -2,-0.6 2,-0.4 -1.000 27.4-164.2-145.1 139.0 0.9 0.1 12.6 125 138 A S E -DE 109 195B 0 -16,-1.9 -16,-2.9 -2,-0.3 2,-0.5 -0.996 15.1-156.5-122.9 135.1 1.4 -3.1 10.6 126 139 A V E -DE 108 194B 1 68,-2.5 68,-2.7 -2,-0.4 2,-0.5 -0.937 2.2-153.0-116.1 128.2 0.7 -6.4 12.3 127 140 A V E +DE 107 193B 0 -20,-3.2 -20,-1.6 -2,-0.5 2,-0.3 -0.895 19.8 178.3-107.9 124.4 2.3 -9.7 11.1 128 141 A L E - E 0 192B 0 64,-2.5 64,-2.5 -2,-0.5 -22,-0.1 -0.877 26.1-147.1-129.1 152.8 0.3 -12.9 11.9 129 142 A R + 0 0 30 -2,-0.3 2,-0.6 62,-0.2 62,-0.1 -0.597 24.2 174.6-121.8 66.7 0.9 -16.6 11.2 130 143 A P - 0 0 3 0, 0.0 2,-1.8 0, 0.0 59,-0.1 -0.666 24.6-151.5 -80.3 120.1 -2.5 -18.1 10.7 131 144 A N + 0 0 165 -2,-0.6 2,-0.3 57,-0.0 59,-0.1 -0.610 52.7 134.9 -80.3 74.1 -2.3 -21.8 9.6 132 145 A V - 0 0 30 -2,-1.8 57,-0.4 57,-0.1 115,-0.0 -0.816 58.7 -97.5-123.0 165.8 -5.6 -21.5 7.8 133 146 A A > - 0 0 49 -2,-0.3 3,-1.1 1,-0.1 4,-0.5 -0.275 34.4-114.0 -70.1 162.8 -7.1 -22.5 4.4 134 147 A F T 3 S+ 0 0 134 1,-0.2 4,-0.5 2,-0.2 3,-0.2 0.667 114.8 68.1 -69.8 -17.4 -7.3 -20.1 1.5 135 148 A S T 3 S+ 0 0 104 1,-0.2 -1,-0.2 2,-0.1 4,-0.0 0.605 102.3 44.0 -78.1 -13.5 -11.1 -20.3 1.9 136 149 A M S X S+ 0 0 50 -3,-1.1 3,-1.1 2,-0.1 4,-0.4 0.519 89.0 89.2-105.9 -10.4 -10.9 -18.5 5.3 137 150 A I G > S+ 0 0 28 -4,-0.5 3,-2.0 1,-0.2 4,-0.4 0.916 82.0 54.9 -55.0 -50.9 -8.5 -15.7 4.3 138 151 A S G 3 S+ 0 0 61 -4,-0.5 3,-0.3 1,-0.3 4,-0.3 0.621 98.3 63.1 -66.7 -15.2 -11.0 -13.2 3.1 139 152 A K G X> S+ 0 0 20 -3,-1.1 4,-1.6 1,-0.2 3,-0.7 0.607 80.9 84.0 -83.6 -11.6 -13.0 -13.2 6.4 140 153 A F H <> S+ 0 0 4 -3,-2.0 4,-2.6 -4,-0.4 5,-0.2 0.909 86.6 54.2 -56.2 -45.2 -10.0 -11.9 8.3 141 154 A N H 3> S+ 0 0 31 -4,-0.4 4,-1.6 -3,-0.3 -1,-0.3 0.803 105.5 54.4 -58.1 -31.0 -10.9 -8.3 7.4 142 155 A L H <> S+ 0 0 5 -3,-0.7 4,-1.0 -4,-0.3 -1,-0.2 0.882 111.9 42.3 -73.6 -39.7 -14.4 -8.8 8.8 143 156 A F H X S+ 0 0 1 -4,-1.6 4,-1.3 2,-0.2 -2,-0.2 0.908 115.3 48.4 -72.1 -41.8 -13.1 -9.9 12.2 144 157 A I H X S+ 0 0 5 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.840 103.6 60.4 -74.8 -30.7 -10.4 -7.4 12.5 145 158 A A H X S+ 0 0 0 -4,-1.6 4,-2.5 -5,-0.2 -1,-0.2 0.881 105.3 49.6 -60.2 -41.0 -12.6 -4.4 11.5 146 159 A L H X S+ 0 0 0 -4,-1.0 4,-2.3 2,-0.2 -1,-0.2 0.846 108.5 54.1 -66.2 -34.0 -14.8 -5.2 14.5 147 160 A G H X S+ 0 0 0 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.944 112.9 41.4 -64.6 -48.2 -11.7 -5.3 16.7 148 161 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.875 113.4 53.3 -65.9 -42.5 -10.6 -1.9 15.6 149 162 A R H X S+ 0 0 45 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.907 110.8 48.2 -56.7 -46.2 -14.2 -0.5 15.8 150 163 A D H X S+ 0 0 27 -4,-2.3 4,-1.1 2,-0.2 -2,-0.2 0.899 111.2 48.2 -64.0 -47.7 -14.5 -1.8 19.4 151 164 A A H >< S+ 0 0 0 -4,-2.1 3,-0.5 1,-0.2 4,-0.3 0.917 114.5 45.5 -59.7 -47.9 -11.2 -0.3 20.6 152 165 A I H >X S+ 0 0 0 -4,-2.2 3,-1.4 1,-0.2 4,-0.7 0.851 107.1 60.4 -65.7 -33.6 -11.9 3.1 19.1 153 166 A Q H 3< S+ 0 0 48 -4,-1.8 3,-0.2 1,-0.3 -1,-0.2 0.755 91.4 66.5 -69.3 -27.1 -15.4 3.0 20.5 154 167 A H T << S+ 0 0 94 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.709 110.7 37.5 -62.5 -19.9 -14.2 2.8 24.1 155 168 A F T <4 S+ 0 0 9 -3,-1.4 2,-0.4 -4,-0.3 69,-0.2 0.541 104.1 81.0-110.3 -12.5 -12.8 6.3 23.6 156 169 A S < - 0 0 7 -4,-0.7 66,-0.2 -3,-0.2 4,-0.1 -0.838 56.6-158.7-108.5 133.0 -15.5 7.9 21.5 157 170 A Q S S+ 0 0 94 64,-3.1 2,-0.2 -2,-0.4 -1,-0.1 0.616 81.0 71.2 -79.5 -12.0 -18.8 9.3 22.8 158 171 A D S S- 0 0 61 63,-0.4 2,-0.3 1,-0.1 -2,-0.1 -0.686 100.4 -86.6-106.8 158.7 -20.2 8.9 19.3 159 172 A E - 0 0 125 -2,-0.2 12,-1.3 1,-0.0 2,-0.5 -0.448 37.1-150.0 -70.6 124.3 -21.1 5.7 17.4 160 173 A V E -F 170 0B 1 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.833 21.4-173.2 -94.6 132.7 -18.2 4.1 15.6 161 174 A K E -F 169 0B 51 8,-3.1 8,-3.0 -2,-0.5 2,-0.4 -0.877 20.9-122.1-126.4 158.6 -19.2 2.2 12.4 162 175 A V E -Fg 168 262B 0 99,-3.5 101,-2.0 -2,-0.3 2,-0.6 -0.834 11.3-160.0-101.5 133.8 -17.6 -0.1 9.9 163 176 A K E > -F 167 0B 9 4,-2.9 4,-2.0 -2,-0.4 3,-0.1 -0.944 46.6 -86.4-108.0 109.5 -17.6 0.6 6.1 164 177 A W T 4 S+ 0 0 4 -2,-0.6 144,-0.4 1,-0.2 2,-0.1 -0.252 97.2 6.4 -56.8 137.7 -17.0 -2.6 4.3 165 178 A P T 4 S- 0 0 11 0, 0.0 -1,-0.2 0, 0.0 -20,-0.1 -0.946 131.9 -12.9 -96.4 -25.8 -14.3 -3.8 3.6 166 179 A N T 4 S+ 0 0 39 -2,-0.1 12,-2.7 -3,-0.1 2,-0.3 0.072 95.3 91.9-136.1 28.5 -11.6 -1.7 5.3 167 180 A D E < -FH 163 177B 16 -4,-2.0 -4,-2.9 10,-0.2 2,-0.4 -0.953 48.2-155.6-121.5 147.0 -12.6 1.7 6.7 168 181 A I E -FH 162 176B 0 8,-2.8 7,-2.6 -2,-0.3 8,-2.3 -0.977 17.8-168.9-117.5 132.1 -13.8 2.7 10.2 169 182 A Y E -FH 161 174B 28 -8,-3.0 -8,-3.1 -2,-0.4 2,-0.5 -0.879 23.0-154.9-119.1 147.1 -16.0 5.8 10.5 170 183 A I E > S-FH 160 173B 1 3,-2.5 3,-2.2 -2,-0.3 -10,-0.2 -0.994 78.2 -50.5-114.3 119.9 -17.3 8.0 13.4 171 184 A D T 3 S- 0 0 84 -12,-1.3 -10,-0.1 -2,-0.5 45,-0.1 -0.319 125.0 -16.3 44.8-121.5 -20.5 9.5 12.1 172 185 A N T 3 S+ 0 0 127 -3,-0.1 2,-0.5 43,-0.1 -1,-0.2 0.394 119.6 85.3 -94.0 5.7 -19.5 11.1 8.7 173 186 A G E < S-H 170 0B 7 -3,-2.2 -3,-2.5 44,-0.1 2,-0.4 -0.904 75.6-125.2-113.3 133.6 -15.7 11.1 9.0 174 187 A K E +Hi 169 215B 80 40,-2.8 42,-1.8 -2,-0.5 -5,-0.3 -0.593 30.7 172.6 -68.1 120.1 -13.3 8.2 8.2 175 188 A V E + 0 0 0 -7,-2.6 24,-2.7 -2,-0.4 2,-0.3 0.663 62.9 22.6-102.6 -23.9 -11.3 7.7 11.4 176 189 A C E -HJ 168 198B 2 -8,-2.3 -8,-2.8 22,-0.2 2,-0.4 -0.999 52.3-174.8-146.2 144.7 -9.4 4.5 10.3 177 190 A G E -HJ 167 197B 21 20,-2.4 20,-2.7 -2,-0.3 2,-0.3 -0.997 13.9-176.8-133.5 135.0 -8.4 2.7 7.2 178 191 A F E - J 0 196B 7 -12,-2.7 2,-0.3 -2,-0.4 18,-0.2 -0.855 11.2-158.3-125.5 168.9 -6.7 -0.7 7.1 179 192 A L E - J 0 195B 82 16,-2.4 16,-3.5 -2,-0.3 2,-0.5 -0.994 6.4-153.0-141.5 138.9 -5.2 -3.0 4.5 180 193 A T E - J 0 194B 40 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.962 14.9-178.3-120.1 119.3 -4.6 -6.8 4.7 181 194 A E E - J 0 193B 57 12,-3.0 12,-3.3 -2,-0.5 2,-0.3 -0.841 10.1-152.4-112.2 149.7 -1.9 -8.4 2.6 182 195 A M E - J 0 192B 92 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.922 3.8-161.3-123.2 149.0 -1.0 -12.0 2.4 183 196 A V E - J 0 191B 38 8,-2.4 7,-2.1 -2,-0.3 8,-2.0 -0.992 14.6-178.6-127.6 132.7 2.3 -13.8 1.6 184 197 A A E - J 0 189B 51 -2,-0.4 5,-0.2 5,-0.3 2,-0.1 -0.874 11.9-153.1-128.2 163.5 2.5 -17.4 0.6 185 198 A N - 0 0 79 3,-2.6 5,-0.0 -2,-0.3 -1,-0.0 -0.287 53.2 -69.7-110.5-157.1 5.2 -20.0 -0.3 186 199 A N S S+ 0 0 167 -2,-0.1 -2,-0.0 1,-0.1 0, 0.0 0.674 134.4 36.4 -68.0 -17.7 5.2 -23.1 -2.5 187 200 A D S S- 0 0 148 1,-0.3 2,-0.2 0, 0.0 -1,-0.1 0.870 119.9 -68.7-105.1 -52.4 3.0 -24.7 0.1 188 201 A G S S+ 0 0 16 -55,-0.0 -3,-2.6 -54,-0.0 2,-0.5 -0.889 82.9 0.3-174.1-152.8 0.6 -22.2 1.5 189 202 A I E + J 0 184B 29 -57,-0.4 -5,-0.3 -2,-0.2 3,-0.1 -0.391 42.9 178.6 -63.4 111.0 0.0 -19.0 3.6 190 203 A E E - 0 0 43 -7,-2.1 2,-0.3 -2,-0.5 -6,-0.2 0.851 63.9 -30.9 -77.7 -37.6 3.4 -17.8 5.0 191 204 A A E - J 0 183B 0 -8,-2.0 -8,-2.4 -62,-0.1 2,-0.4 -0.981 45.6-124.4-171.0 164.5 1.8 -14.7 6.8 192 205 A I E -EJ 128 182B 5 -64,-2.5 -64,-2.5 -2,-0.3 2,-0.5 -0.956 20.1-163.2-113.4 138.5 -0.8 -12.0 7.0 193 206 A I E -EJ 127 181B 0 -12,-3.3 -12,-3.0 -2,-0.4 2,-0.7 -0.942 4.5-166.9-124.9 108.7 0.2 -8.4 7.2 194 207 A C E -EJ 126 180B 2 -68,-2.7 -68,-2.5 -2,-0.5 2,-0.5 -0.863 5.1-158.5-100.5 117.7 -2.5 -6.0 8.4 195 208 A G E -EJ 125 179B 10 -16,-3.5 -16,-2.4 -2,-0.7 2,-0.5 -0.851 11.2-169.9-101.0 123.5 -1.7 -2.4 7.9 196 209 A I E -EJ 124 178B 4 -72,-3.9 -72,-2.2 -2,-0.5 2,-0.5 -0.955 11.6-175.5-128.3 119.1 -3.7 -0.0 10.1 197 210 A G E +EJ 123 177B 13 -20,-2.7 -20,-2.4 -2,-0.5 2,-0.4 -0.957 12.1 176.8-113.7 120.1 -3.9 3.7 9.9 198 211 A I E -EJ 122 176B 0 -76,-2.1 -76,-2.9 -2,-0.5 2,-0.8 -0.994 29.6-134.4-128.9 132.6 -5.8 5.5 12.6 199 212 A N E +E 121 0B 29 -24,-2.7 19,-2.4 -2,-0.4 -78,-0.2 -0.739 32.7 171.5 -79.7 105.7 -6.4 9.3 13.2 200 213 A L - 0 0 0 -80,-1.8 19,-2.4 -2,-0.8 -79,-0.2 0.967 66.5 -3.7 -83.9 -58.8 -5.7 9.7 16.9 201 214 A T S S+ 0 0 18 -81,-1.8 -80,-0.1 17,-0.2 -1,-0.1 0.155 80.8 141.9-134.4 20.1 -5.6 13.4 17.8 202 215 A Q - 0 0 10 -82,-0.5 2,-0.3 14,-0.1 15,-0.2 -0.300 40.8-141.0 -57.5 143.1 -6.0 15.5 14.7 203 216 A Q > - 0 0 93 1,-0.1 3,-2.1 13,-0.1 4,-0.4 -0.681 34.6-101.4 -93.0 162.9 -8.1 18.7 15.0 204 217 A L G > S+ 0 0 92 1,-0.3 3,-1.5 -2,-0.3 -1,-0.1 0.901 125.8 59.2 -52.1 -37.5 -10.3 19.5 12.0 205 218 A E G 3 S+ 0 0 148 1,-0.3 -1,-0.3 -3,-0.0 4,-0.1 0.713 93.8 66.4 -63.9 -19.9 -7.6 22.0 11.0 206 219 A N G < S+ 0 0 55 -3,-2.1 2,-0.3 2,-0.1 -1,-0.3 0.551 89.9 74.7 -83.1 -8.5 -5.0 19.2 10.8 207 220 A F S < S- 0 0 20 -3,-1.5 5,-0.1 -4,-0.4 8,-0.0 -0.812 97.0-100.0 -96.9 147.5 -6.7 17.5 7.8 208 221 A D >> - 0 0 103 -2,-0.3 4,-1.8 1,-0.1 3,-1.8 -0.347 30.5-119.8 -61.1 145.3 -6.4 19.1 4.3 209 222 A E T 34 S+ 0 0 149 1,-0.3 4,-0.5 2,-0.2 -1,-0.1 0.806 110.9 63.8 -57.2 -34.1 -9.5 21.1 3.3 210 223 A S T 34 S+ 0 0 77 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.660 119.8 24.9 -64.0 -13.0 -10.2 18.8 0.3 211 224 A I T X4 S+ 0 0 64 -3,-1.8 3,-2.5 2,-0.0 4,-0.3 0.563 92.5 99.8-127.1 -21.9 -10.8 16.0 2.8 212 225 A R G >< S+ 0 0 79 -4,-1.8 3,-1.0 1,-0.3 -3,-0.1 0.729 74.9 62.0 -49.0 -40.9 -11.8 17.7 6.0 213 226 A H G 3 S+ 0 0 141 -4,-0.5 -1,-0.3 1,-0.2 -4,-0.1 0.476 116.2 33.0 -70.3 -2.9 -15.6 17.1 5.7 214 227 A R G < S+ 0 0 118 -3,-2.5 -40,-2.8 -41,-0.1 2,-0.3 0.182 103.7 80.6-141.6 17.6 -15.0 13.4 5.7 215 228 A A B < +i 174 0B 13 -3,-1.0 2,-0.3 -4,-0.3 -40,-0.2 -0.902 49.5 163.8-111.6 153.8 -12.0 12.8 8.0 216 229 A T - 0 0 8 -42,-1.8 2,-0.3 -2,-0.3 -17,-0.2 -0.941 23.1-138.7-153.2 171.3 -12.1 12.7 11.7 217 230 A S - 0 0 0 -2,-0.3 3,-0.4 -15,-0.2 4,-0.4 -0.845 30.1-110.1-127.0 166.5 -9.9 11.6 14.6 218 231 A I S > S+ 0 0 0 -19,-2.4 3,-1.8 -2,-0.3 -17,-0.2 0.886 116.2 59.8 -63.3 -39.3 -10.7 9.8 17.9 219 232 A Q G > S+ 0 0 36 -19,-2.4 3,-1.3 1,-0.3 -1,-0.2 0.795 92.7 64.5 -64.0 -28.8 -9.9 12.9 19.8 220 233 A L G 3 S+ 0 0 54 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.2 0.712 110.8 38.8 -66.0 -17.4 -12.6 14.9 18.1 221 234 A H G < S+ 0 0 25 -3,-1.8 -64,-3.1 -4,-0.4 2,-0.5 0.076 99.7 86.7-119.3 19.0 -15.1 12.5 19.7 222 235 A D < - 0 0 16 -3,-1.3 4,-0.2 -66,-0.2 -66,-0.1 -0.961 56.3-163.4-124.2 111.8 -13.5 12.2 23.1 223 236 A K S S+ 0 0 157 -2,-0.5 2,-0.3 -68,-0.1 -1,-0.1 0.702 80.3 66.5 -61.4 -22.4 -14.4 14.8 25.7 224 237 A N S S- 0 0 89 -69,-0.2 2,-0.2 1,-0.1 -2,-0.1 -0.690 105.4 -88.4 -98.7 154.3 -11.3 13.6 27.5 225 238 A K - 0 0 126 -2,-0.3 2,-0.5 1,-0.1 -2,-0.1 -0.440 47.9-118.6 -59.1 126.5 -7.7 13.9 26.4 226 239 A L - 0 0 3 -2,-0.2 2,-0.9 -4,-0.2 -1,-0.1 -0.581 19.7-150.8 -73.9 119.1 -6.8 10.8 24.3 227 240 A D > - 0 0 65 -2,-0.5 4,-2.3 1,-0.2 3,-0.2 -0.811 3.5-157.5 -93.6 106.4 -4.0 8.8 25.9 228 241 A R H > S+ 0 0 7 -2,-0.9 4,-2.4 1,-0.3 -1,-0.2 0.820 91.2 48.2 -57.0 -35.4 -2.3 7.2 22.9 229 242 A Y H > S+ 0 0 8 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.892 108.6 53.0 -73.3 -40.0 -0.8 4.4 25.0 230 243 A Q H > S+ 0 0 91 -3,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.908 113.6 45.5 -58.7 -40.7 -4.1 3.7 26.7 231 244 A F H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.887 109.9 52.1 -70.6 -42.2 -5.6 3.4 23.2 232 245 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.941 109.4 52.0 -57.2 -48.8 -2.8 1.2 21.7 233 246 A E H X S+ 0 0 73 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.930 112.4 43.8 -55.3 -49.1 -3.2 -1.2 24.7 234 247 A R H X S+ 0 0 77 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.867 112.9 53.2 -62.9 -35.9 -6.9 -1.5 24.0 235 248 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.893 109.5 47.2 -71.2 -40.8 -6.3 -1.9 20.2 236 249 A L H X S+ 0 0 13 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.902 111.5 52.3 -66.6 -39.9 -3.9 -4.7 20.7 237 250 A Q H X S+ 0 0 107 -4,-2.1 4,-2.1 -5,-0.3 -2,-0.2 0.912 112.4 43.8 -61.3 -41.1 -6.2 -6.4 23.1 238 251 A E H X S+ 0 0 23 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.910 112.8 52.7 -73.8 -41.0 -9.2 -6.2 20.6 239 252 A I H X S+ 0 0 2 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.940 110.6 46.5 -55.0 -51.3 -7.0 -7.3 17.7 240 253 A E H X S+ 0 0 39 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.949 114.7 48.7 -59.0 -46.7 -5.7 -10.4 19.6 241 254 A K H X S+ 0 0 96 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.914 113.2 44.5 -59.3 -49.3 -9.3 -11.2 20.6 242 255 A R H X S+ 0 0 2 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.816 110.8 56.9 -68.4 -31.1 -10.8 -10.8 17.1 243 256 A Y H X S+ 0 0 14 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.929 106.0 48.7 -61.6 -47.4 -7.8 -12.8 15.7 244 257 A N H X S+ 0 0 80 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.868 111.1 51.5 -61.0 -37.0 -8.6 -15.7 18.0 245 258 A Q H X S+ 0 0 38 -4,-1.8 4,-3.7 2,-0.2 3,-0.5 0.912 107.1 53.0 -59.5 -45.4 -12.2 -15.5 16.9 246 259 A F H < S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.882 111.5 46.2 -59.3 -38.9 -11.1 -15.6 13.3 247 260 A L H < S+ 0 0 69 -4,-1.9 -1,-0.2 1,-0.1 -2,-0.2 0.709 126.2 28.3 -74.9 -24.2 -9.1 -18.8 13.9 248 261 A T H < S+ 0 0 106 -4,-1.0 -2,-0.2 -3,-0.5 -3,-0.2 0.716 111.3 58.8-114.7 -28.9 -11.9 -20.5 15.8 249 262 A L S < S- 0 0 53 -4,-3.7 2,-0.1 -5,-0.2 -1,-0.1 -0.818 72.8-119.1-113.4 148.1 -15.3 -19.2 14.6 250 263 A P > - 0 0 62 0, 0.0 3,-1.9 0, 0.0 4,-0.4 -0.497 32.4-115.8 -73.5 150.7 -17.1 -19.1 11.2 251 264 A F G >> S+ 0 0 7 1,-0.3 3,-2.5 2,-0.2 4,-1.3 0.870 112.4 73.3 -52.8 -38.8 -18.0 -15.6 9.9 252 265 A S G 34 S+ 0 0 54 35,-0.4 4,-0.5 1,-0.3 -1,-0.3 0.792 91.1 59.1 -45.9 -32.5 -21.6 -16.5 10.3 253 266 A E G <4 S+ 0 0 128 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.706 115.9 30.4 -74.2 -22.6 -21.1 -16.1 14.0 254 267 A I T <> S+ 0 0 3 -3,-2.5 4,-2.6 -4,-0.4 -2,-0.2 0.369 95.5 98.8-110.6 4.5 -20.0 -12.5 13.9 255 268 A R H X S+ 0 0 35 -4,-1.3 4,-2.3 2,-0.2 -2,-0.1 0.854 82.6 44.7 -62.4 -44.6 -22.1 -11.7 10.8 256 269 A E H > S+ 0 0 146 -4,-0.5 4,-3.2 2,-0.2 -1,-0.2 0.908 114.2 49.8 -69.2 -42.2 -25.0 -10.0 12.6 257 270 A E H > S+ 0 0 83 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.896 111.3 50.1 -59.0 -42.1 -22.7 -8.0 14.8 258 271 A Y H < S+ 0 0 1 -4,-2.6 -2,-0.2 2,-0.2 -96,-0.2 0.923 111.9 48.3 -63.5 -41.9 -20.9 -6.9 11.7 259 272 A N H >< S+ 0 0 23 -4,-2.3 3,-1.9 1,-0.2 -2,-0.2 0.955 110.6 49.2 -63.5 -50.2 -24.2 -6.0 10.1 260 273 A A H 3< S+ 0 0 75 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.749 111.6 52.0 -59.7 -23.0 -25.4 -4.0 13.1 261 274 A A T 3< S+ 0 0 10 -4,-1.4 -99,-3.5 -5,-0.2 2,-0.3 0.325 91.7 102.9 -96.4 8.1 -22.0 -2.2 13.2 262 275 A S B < -g 162 0B 6 -3,-1.9 3,-0.3 -101,-0.2 -99,-0.2 -0.711 51.4-164.3-102.0 144.3 -22.1 -1.2 9.5 263 276 A N S S+ 0 0 32 -101,-2.0 -100,-0.1 -2,-0.3 -1,-0.1 0.055 71.6 87.4-109.1 23.0 -22.9 2.3 8.0 264 277 A I + 0 0 1 -102,-0.3 18,-0.6 17,-0.0 3,-0.4 0.432 62.7 104.5-104.2 -0.4 -23.6 1.1 4.4 265 278 A W S S+ 0 0 57 -3,-0.3 18,-0.1 1,-0.2 3,-0.0 -0.300 71.9 19.0 -82.4 163.6 -27.3 0.2 4.6 266 279 A N S S+ 0 0 163 16,-0.4 2,-0.3 1,-0.1 -1,-0.2 0.743 101.6 84.7 55.7 37.7 -30.3 2.1 3.3 267 280 A R S S- 0 0 119 -3,-0.4 15,-0.5 15,-0.2 2,-0.5 -0.971 81.3-101.1-162.1 153.9 -28.6 4.4 0.8 268 281 A T - 0 0 69 -2,-0.3 2,-0.2 13,-0.1 13,-0.2 -0.660 45.2-174.2 -85.9 126.7 -27.5 4.3 -2.8 269 282 A L E -K 280 0C 3 11,-3.5 11,-1.7 -2,-0.5 2,-0.6 -0.693 28.5-115.0-118.8 164.5 -23.7 3.8 -3.2 270 283 A L E -KL 279 309C 40 39,-2.1 39,-2.7 -2,-0.2 2,-0.4 -0.909 32.6-162.7-100.1 125.0 -21.1 3.7 -5.9 271 284 A F E -KL 278 308C 0 7,-3.3 7,-2.4 -2,-0.6 2,-0.4 -0.911 7.8-173.4-111.2 134.1 -19.5 0.2 -6.2 272 285 A T E +KL 277 307C 31 35,-1.2 35,-2.0 -2,-0.4 2,-0.4 -0.937 13.7 157.7-132.2 111.7 -16.2 -0.4 -8.0 273 286 A E 0 0 76 3,-3.1 33,-0.1 -2,-0.4 -2,-0.0 -0.997 360.0 360.0-134.2 139.2 -14.9 -3.9 -8.7 274 287 A N 0 0 113 -2,-0.4 -1,-0.2 3,-0.0 3,-0.1 0.969 360.0 360.0 51.8 360.0 -12.4 -5.2 -11.2 275 ! 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 0.0 276 289 A K 0 0 164 0, 0.0 -3,-3.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -49.4 -16.0 -2.0 -13.0 277 290 A Q E +K 272 0C 122 -5,-0.3 2,-0.3 -3,-0.1 -5,-0.2 -0.928 360.0 147.7-119.9 140.8 -18.4 0.6 -11.6 278 291 A F E -K 271 0C 38 -7,-2.4 -7,-3.3 -2,-0.4 2,-0.3 -0.984 34.4-120.8-158.7 160.5 -22.1 0.6 -10.8 279 292 A K E +K 270 0C 115 -2,-0.3 17,-1.6 -9,-0.2 2,-0.3 -0.801 47.4 109.1-107.1 149.0 -24.6 2.1 -8.4 280 293 A G E -KM 269 295C 0 -11,-1.7 -11,-3.5 -2,-0.3 2,-0.4 -0.977 58.9 -73.8 177.0-169.7 -27.0 0.3 -6.0 281 294 A Q E - M 0 294C 37 13,-2.5 13,-3.2 -2,-0.3 2,-0.5 -0.939 33.9-127.4-112.8 137.0 -27.9 -0.5 -2.4 282 295 A A E + M 0 293C 3 -18,-0.6 -16,-0.4 -15,-0.5 11,-0.3 -0.709 32.0 174.0 -74.7 122.7 -26.0 -3.0 -0.2 283 296 A I E - 0 0 76 9,-2.7 2,-0.3 -2,-0.5 10,-0.2 0.617 53.2 -6.2-111.5 -15.4 -28.8 -5.3 1.1 284 297 A D E - M 0 292C 52 8,-1.5 8,-3.0 -19,-0.0 2,-0.5 -0.995 46.2-129.5-164.7 164.9 -26.8 -8.0 2.9 285 298 A L E - M 0 291C 1 -2,-0.3 6,-0.2 6,-0.2 -26,-0.1 -0.998 40.5-140.3-114.9 120.2 -23.6 -9.7 4.0 286 299 A D > - 0 0 24 4,-2.8 3,-1.5 -2,-0.5 6,-0.0 -0.093 28.6 -94.0 -75.0 179.1 -23.9 -13.4 3.2 287 300 A Y T 3 S+ 0 0 158 1,-0.3 -35,-0.4 2,-0.1 -36,-0.1 0.752 125.9 54.2 -63.9 -24.9 -22.6 -16.2 5.4 288 301 A D T 3 S- 0 0 102 -37,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.438 121.2-104.4 -91.0 -3.8 -19.4 -16.3 3.4 289 302 A G S < S+ 0 0 7 -3,-1.5 2,-0.4 1,-0.3 -2,-0.1 0.620 73.5 141.3 89.8 13.1 -18.7 -12.6 3.9 290 303 A Y - 0 0 66 15,-0.0 -4,-2.8 1,-0.0 2,-0.5 -0.708 53.8-122.5 -83.6 138.8 -19.7 -11.5 0.4 291 304 A L E -MN 285 303C 0 12,-3.0 12,-2.5 -2,-0.4 2,-0.6 -0.710 19.2-145.5 -80.4 122.9 -21.6 -8.3 0.1 292 305 A I E -MN 284 302C 32 -8,-3.0 -9,-2.7 -2,-0.5 -8,-1.5 -0.829 23.9-174.1 -89.0 121.9 -25.0 -8.7 -1.6 293 306 A V E -MN 282 301C 0 8,-2.5 8,-2.9 -2,-0.6 2,-0.6 -0.949 20.5-153.4-125.4 135.3 -25.7 -5.6 -3.7 294 307 A R E -MN 281 300C 107 -13,-3.2 -13,-2.5 -2,-0.4 6,-0.2 -0.920 21.6-148.4-107.9 115.8 -28.9 -4.6 -5.6 295 308 A D E > -M 280 0C 25 4,-2.0 3,-1.9 -2,-0.6 -15,-0.3 -0.168 30.8-100.0 -79.9 175.3 -28.1 -2.3 -8.6 296 309 A E T 3 S+ 0 0 126 -17,-1.6 -16,-0.1 1,-0.3 -1,-0.1 0.589 125.7 58.6 -75.5 -8.1 -30.3 0.5 -9.9 297 310 A A T 3 S- 0 0 76 -18,-0.3 -1,-0.3 2,-0.2 3,-0.1 0.177 120.2-112.8 -96.5 12.8 -31.3 -2.0 -12.7 298 311 A G S < S+ 0 0 45 -3,-1.9 2,-0.5 1,-0.2 -2,-0.1 0.482 70.2 140.8 73.4 3.8 -32.6 -4.3 -9.9 299 312 A E - 0 0 123 -5,-0.0 -4,-2.0 1,-0.0 -1,-0.2 -0.691 49.2-131.7 -84.9 124.8 -29.9 -7.0 -10.6 300 313 A S E -N 294 0C 80 -2,-0.5 2,-0.3 -6,-0.2 -6,-0.2 -0.519 25.1-166.5 -74.8 138.6 -28.5 -8.6 -7.4 301 314 A H E -N 293 0C 54 -8,-2.9 -8,-2.5 -2,-0.2 2,-0.5 -0.908 15.2-146.7-126.1 154.5 -24.7 -8.9 -7.3 302 315 A R E -N 292 0C 131 -2,-0.3 2,-0.5 -10,-0.2 -10,-0.2 -0.919 21.0-177.6-127.4 103.8 -22.3 -10.8 -5.1 303 316 A L E -N 291 0C 2 -12,-2.5 -12,-3.0 -2,-0.5 3,-0.2 -0.874 22.1-173.9-108.2 125.9 -19.0 -9.1 -4.3 304 317 A I S S+ 0 0 81 -2,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.862 87.7 2.6 -80.4 -39.0 -16.2 -10.6 -2.2 305 318 A S S S+ 0 0 76 -14,-0.1 -1,-0.3 -15,-0.0 2,-0.3 -0.922 76.6 150.5-148.4 127.5 -14.3 -7.3 -2.4 306 319 A A - 0 0 7 -2,-0.3 2,-0.8 -3,-0.2 -33,-0.2 -0.866 48.2-104.3-137.8 171.5 -15.4 -4.0 -4.0 307 320 A D E -L 272 0C 85 -35,-2.0 -35,-1.2 -2,-0.3 2,-0.5 -0.904 32.3-156.1-102.6 106.5 -14.7 -0.4 -3.3 308 321 A I E -L 271 0C 1 -2,-0.8 2,-0.5 -144,-0.4 -37,-0.2 -0.745 14.4-175.7 -80.3 124.7 -17.8 1.2 -1.6 309 322 A D E L 270 0C 82 -39,-2.7 -39,-2.1 -2,-0.5 -2,-0.0 -0.950 360.0 360.0-128.4 111.6 -17.8 4.9 -2.2 310 323 A F 0 0 85 -2,-0.5 -1,-0.2 -41,-0.2 -39,-0.0 0.983 360.0 360.0 -53.8 360.0 -20.5 7.2 -0.7