==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 12-MAR-13 4BES . COMPND 2 MOLECULE: PHOSPHOCHOLINE TRANSFERASE ANKX; . SOURCE 2 ORGANISM_SCIENTIFIC: LEGIONELLA PNEUMOPHILA SUBSP. PNEUMOPH . AUTHOR V.CAMPANACCI,S.MUKHERJEE,C.R.ROY,J.CHERFILS . 469 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21438.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 328 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 3.2 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 20 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 194 41.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.3 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 1 3 4 1 4 2 1 1 2 0 0 1 0 2 1 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 3 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 . 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 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 6 A P 0 0 101 0, 0.0 58,-0.0 0, 0.0 313,-0.0 0.000 360.0 360.0 360.0 130.1 -30.7 20.3 23.0 2 7 A N + 0 0 27 1,-0.3 63,-0.1 57,-0.2 57,-0.1 0.868 360.0 27.7 -70.2 -37.6 -29.8 23.6 21.3 3 8 A L > + 0 0 0 1,-0.1 3,-2.0 52,-0.1 -1,-0.3 -0.736 69.0 172.4-122.0 79.6 -27.7 21.7 18.7 4 9 A P T > S+ 0 0 20 0, 0.0 3,-1.9 0, 0.0 4,-0.2 0.812 74.6 70.7 -59.2 -27.0 -29.2 18.1 18.4 5 10 A G T >> S+ 0 0 0 230,-3.0 3,-1.3 1,-0.3 4,-1.0 0.626 73.7 85.7 -61.9 -15.7 -26.9 17.3 15.5 6 11 A L H <> S+ 0 0 0 -3,-2.0 4,-1.8 229,-0.3 -1,-0.3 0.776 77.1 69.7 -55.8 -26.3 -24.0 17.2 18.1 7 12 A Y H <> S+ 0 0 55 -3,-1.9 4,-2.0 1,-0.2 -1,-0.3 0.905 98.3 47.6 -56.0 -45.9 -25.2 13.6 18.5 8 13 A F H <> S+ 0 0 13 -3,-1.3 4,-1.2 1,-0.2 -1,-0.2 0.768 106.7 56.4 -68.4 -27.9 -23.8 12.9 14.9 9 14 A L H < S+ 0 0 0 -4,-1.0 -1,-0.2 2,-0.2 -2,-0.2 0.883 109.4 46.7 -69.1 -36.4 -20.5 14.7 15.8 10 15 A Q H < S+ 0 0 57 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.914 110.8 51.8 -67.7 -45.1 -20.2 12.2 18.8 11 16 A A H < S+ 0 0 33 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.715 86.3 106.4 -63.0 -26.3 -21.0 9.2 16.4 12 17 A Y S < S- 0 0 2 -4,-1.2 2,-0.2 -5,-0.1 5,-0.1 -0.391 86.6-106.7 -58.6 123.4 -18.3 10.4 14.0 13 18 A P > - 0 0 12 0, 0.0 3,-2.6 0, 0.0 4,-0.4 -0.394 20.3-139.7 -62.2 120.5 -15.3 8.0 14.3 14 19 A S G > S+ 0 0 50 1,-0.3 3,-1.4 -2,-0.2 4,-0.2 0.823 102.2 55.3 -41.2 -49.5 -12.4 9.8 16.2 15 20 A E G 3 S+ 0 0 57 1,-0.3 -1,-0.3 2,-0.1 282,-0.1 0.500 114.6 40.8 -68.2 -7.5 -9.7 8.3 13.8 16 21 A E G X S+ 0 0 8 -3,-2.6 3,-2.3 1,-0.1 -1,-0.3 0.258 79.2 110.5-121.2 3.8 -11.6 9.8 10.8 17 22 A I G X + 0 0 1 -3,-1.4 3,-1.6 -4,-0.4 4,-0.1 0.745 67.7 68.6 -54.9 -29.0 -12.5 13.3 12.4 18 23 A W G >> S+ 0 0 5 1,-0.3 4,-3.0 -4,-0.2 3,-2.1 0.697 80.7 81.2 -60.5 -24.5 -10.0 15.1 10.1 19 24 A R G <4 S+ 0 0 1 -3,-2.3 225,-0.3 1,-0.3 -1,-0.3 0.734 82.7 59.5 -60.4 -22.7 -12.5 14.2 7.2 20 25 A L G <4 S+ 0 0 2 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.559 118.2 30.3 -85.6 3.7 -14.7 17.1 8.1 21 26 A F T <4 S+ 0 0 2 -3,-2.1 2,-0.5 1,-0.1 -2,-0.2 0.710 105.5 75.9-120.0 -41.9 -11.7 19.5 7.5 22 27 A V S < S- 0 0 1 -4,-3.0 -1,-0.1 1,-0.1 2,-0.1 -0.674 86.8-118.3 -81.2 121.3 -9.7 17.7 4.7 23 28 A D >> - 0 0 9 -2,-0.5 3,-2.5 1,-0.1 4,-0.6 -0.366 15.1-130.2 -60.5 128.7 -11.2 18.0 1.2 24 29 A G T 34 S+ 0 0 3 220,-3.0 4,-0.4 1,-0.3 221,-0.2 0.651 104.3 71.2 -52.8 -21.7 -12.1 14.6 -0.2 25 30 A R T 34 S+ 0 0 71 220,-2.1 -1,-0.3 1,-0.2 4,-0.2 0.710 100.0 46.6 -66.7 -25.0 -10.3 15.6 -3.4 26 31 A F T X> S+ 0 0 28 -3,-2.5 4,-2.1 219,-0.2 3,-0.8 0.708 87.9 88.5 -87.4 -32.6 -6.9 15.3 -1.5 27 32 A W T 3<>S+ 0 0 0 -4,-0.6 5,-3.0 1,-0.2 4,-0.2 0.788 89.4 42.3 -39.6 -55.5 -7.4 11.9 0.3 28 33 A S T 345S+ 0 0 35 -4,-0.4 -1,-0.2 257,-0.4 3,-0.2 0.757 122.8 37.8 -66.9 -34.2 -6.1 9.5 -2.4 29 34 A K T <45S+ 0 0 123 -3,-0.8 -2,-0.2 -4,-0.2 -1,-0.2 0.618 121.1 42.3 -94.2 -19.9 -3.1 11.6 -3.4 30 35 A E T <>S- 0 0 46 -4,-2.1 5,-1.7 2,-0.1 6,-0.2 -0.014 112.1-100.5-122.9 31.5 -2.1 12.9 0.0 31 36 A N T > 5S- 0 0 89 -3,-0.2 3,-1.4 -4,-0.2 2,-1.0 0.913 70.1 -77.9 49.5 49.5 -2.4 10.0 2.4 32 37 A G T 3 >5S+ 0 0 13 -2,-1.0 4,-2.2 2,-0.1 3,-0.5 0.608 107.6 90.0 -97.5 -24.9 -4.9 14.1 6.0 34 39 A R H <>5S+ 0 0 106 -3,-1.4 4,-2.2 1,-0.2 -3,-0.2 0.846 89.6 46.4 -46.7 -49.1 -1.0 14.2 6.0 35 40 A G H 3> S+ 0 0 23 -3,-0.5 4,-0.8 -6,-0.2 -2,-0.2 0.907 112.5 47.3 -64.9 -44.3 -3.3 19.1 4.6 37 42 A E H >< S+ 0 0 22 -4,-2.2 3,-0.6 1,-0.2 6,-0.3 0.880 108.2 54.6 -66.4 -40.9 -1.4 19.0 7.9 38 43 A S H 3< S+ 0 0 86 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.791 101.2 59.4 -64.5 -30.6 2.0 19.6 6.3 39 44 A R H 3< S+ 0 0 119 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.788 130.3 7.1 -65.9 -33.5 0.8 22.8 4.5 40 45 A E S X< S- 0 0 93 -4,-0.8 3,-2.3 -3,-0.6 -1,-0.3 -0.676 85.7-143.5-149.2 82.7 -0.1 24.4 7.9 41 46 A P T 3 S+ 0 0 112 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.307 88.5 23.3 -56.2 133.6 1.1 22.3 10.9 42 47 A G T 3> S+ 0 0 39 -5,-0.0 4,-2.0 4,-0.0 5,-0.2 0.129 90.0 113.6 96.8 -15.7 -1.4 22.5 13.7 43 48 A C H <> S+ 0 0 9 -3,-2.3 4,-1.3 -6,-0.3 5,-0.1 0.683 71.0 52.9 -62.0 -26.8 -4.3 23.5 11.4 44 49 A L H > S+ 0 0 4 -4,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.966 112.4 42.4 -73.8 -53.1 -6.4 20.3 11.8 45 50 A N H > S+ 0 0 28 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.869 114.3 52.4 -58.5 -42.3 -6.5 20.4 15.7 46 51 A A H X S+ 0 0 24 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.893 110.9 46.9 -61.9 -42.5 -7.1 24.2 15.7 47 52 A A H X S+ 0 0 1 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.869 115.8 45.4 -67.8 -37.7 -10.1 23.8 13.3 48 53 A L H X S+ 0 0 4 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.866 113.7 48.8 -71.1 -43.3 -11.5 20.8 15.4 49 54 A E H X S+ 0 0 49 -4,-2.9 4,-2.2 2,-0.2 5,-0.2 0.844 111.4 51.9 -64.6 -35.1 -11.0 22.8 18.7 50 55 A S H X S+ 0 0 0 -4,-1.9 4,-2.1 -5,-0.2 5,-0.2 0.950 112.4 43.6 -67.2 -49.9 -12.7 25.8 17.1 51 56 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.942 119.8 41.0 -60.7 -53.3 -15.8 23.8 16.0 52 57 A C H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.861 114.7 50.5 -65.3 -42.6 -16.3 21.9 19.2 53 58 A S H X S+ 0 0 9 -4,-2.2 4,-1.4 -5,-0.2 -1,-0.2 0.875 115.6 41.9 -68.5 -37.2 -15.5 24.8 21.6 54 59 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.887 114.0 51.5 -75.4 -37.2 -18.0 27.1 19.9 55 60 A A H X S+ 0 0 2 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.873 112.5 47.0 -63.3 -37.9 -20.7 24.4 19.5 56 61 A L H X S+ 0 0 12 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.847 109.1 56.3 -68.6 -37.0 -20.2 23.7 23.3 57 62 A Q H < S+ 0 0 72 -4,-1.4 -2,-0.2 2,-0.2 -1,-0.2 0.921 111.3 41.9 -62.1 -45.6 -20.4 27.5 23.8 58 63 A V H < S+ 0 0 8 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.933 114.7 50.1 -67.4 -46.2 -23.9 27.6 22.0 59 64 A E H < S+ 0 0 35 -4,-2.4 2,-1.8 1,-0.3 -2,-0.2 0.916 104.9 60.2 -57.0 -46.1 -25.2 24.4 23.7 60 65 A K S < S+ 0 0 151 -4,-2.7 -1,-0.3 -5,-0.1 2,-0.2 -0.552 91.8 83.9 -85.4 70.9 -24.1 25.8 27.2 61 66 A S - 0 0 55 -2,-1.8 4,-0.1 -3,-0.2 -59,-0.1 -0.735 68.2-146.6-171.2 121.9 -26.4 28.9 26.9 62 67 A G S S+ 0 0 89 -2,-0.2 3,-0.1 2,-0.1 -1,-0.1 0.904 76.4 88.2 -55.3 -48.9 -30.1 29.0 27.8 63 68 A E S S- 0 0 161 1,-0.1 2,-0.1 3,-0.0 3,-0.1 -0.091 92.0 -95.5 -55.7 148.7 -30.9 31.6 25.0 64 69 A E - 0 0 123 1,-0.1 2,-0.2 -62,-0.0 -1,-0.1 -0.431 51.7 -89.4 -69.8 139.9 -31.8 30.4 21.5 65 70 A F + 0 0 21 -2,-0.1 2,-0.4 -63,-0.1 -1,-0.1 -0.339 49.7 176.2 -59.9 120.6 -28.9 30.3 19.0 66 71 A E - 0 0 92 -2,-0.2 2,-0.1 -3,-0.1 -3,-0.0 -0.997 29.2-123.5-129.5 125.1 -28.4 33.6 17.1 67 72 A L + 0 0 6 -2,-0.4 2,-0.3 117,-0.2 121,-0.1 -0.390 37.4 174.5 -60.9 137.8 -25.6 34.2 14.6 68 73 A S > - 0 0 42 -2,-0.1 4,-1.9 1,-0.0 5,-0.1 -0.964 45.4-118.2-145.2 159.1 -23.4 37.2 15.4 69 74 A V H > S+ 0 0 35 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.678 117.7 58.6 -70.6 -16.5 -20.2 38.9 14.1 70 75 A D H > S+ 0 0 91 2,-0.2 4,-2.5 3,-0.2 -1,-0.2 0.896 104.3 51.5 -76.3 -41.1 -18.6 38.2 17.6 71 76 A L H > S+ 0 0 7 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.974 111.9 46.0 -54.9 -55.2 -19.3 34.5 16.9 72 77 A I H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.858 112.4 49.6 -50.3 -48.4 -17.6 34.7 13.5 73 78 A K H X S+ 0 0 56 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.878 110.4 50.9 -62.4 -42.9 -14.6 36.6 14.9 74 79 A R H X S+ 0 0 91 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.912 110.2 50.6 -61.2 -43.4 -14.2 34.0 17.8 75 80 A I H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.895 111.4 47.9 -59.7 -44.7 -14.3 31.2 15.1 76 81 A H H X S+ 0 0 4 -4,-2.1 4,-1.0 2,-0.2 -2,-0.2 0.916 111.4 49.5 -63.4 -46.5 -11.5 33.0 13.0 77 82 A K H >< S+ 0 0 143 -4,-2.3 3,-0.9 6,-0.3 -2,-0.2 0.934 112.3 48.6 -56.8 -49.9 -9.3 33.6 16.1 78 83 A K H 3< S+ 0 0 69 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.833 105.9 55.6 -62.4 -38.6 -9.6 29.9 17.1 79 84 A C H 3< 0 0 8 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.722 360.0 360.0 -67.6 -21.7 -8.8 28.6 13.5 80 85 A G << 0 0 86 -4,-1.0 -3,-0.0 -3,-0.9 -4,-0.0 -0.496 360.0 360.0 -72.2 360.0 -5.5 30.6 13.8 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 96 A P 0 0 103 0, 0.0 -5,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 60.2 -5.8 37.1 13.2 83 97 A G + 0 0 10 1,-0.3 -6,-0.3 -11,-0.1 2,-0.2 -0.077 360.0 92.9 92.8 -30.0 -9.3 37.3 14.9 84 98 A E S S- 0 0 103 -8,-0.1 134,-0.4 1,-0.1 -1,-0.3 -0.550 76.5-107.9 -96.4 160.4 -9.9 40.8 13.3 85 99 A L - 0 0 17 -2,-0.2 132,-0.2 132,-0.1 2,-0.2 -0.411 32.3-103.4 -81.0 157.9 -11.6 41.9 10.0 86 100 A R + 0 0 3 130,-3.5 91,-0.2 1,-0.2 90,-0.1 -0.551 38.0 174.4 -75.2 147.0 -9.9 43.2 6.9 87 101 A T S S- 0 0 86 -2,-0.2 89,-0.3 89,-0.1 -1,-0.2 0.675 78.4 -11.1-114.0 -71.8 -10.4 47.0 6.5 88 102 A D S S+ 0 0 112 86,-0.1 -2,-0.1 87,-0.1 86,-0.0 0.594 100.9 121.8-102.3 -19.7 -8.4 48.3 3.6 89 103 A E - 0 0 59 1,-0.1 2,-0.3 84,-0.0 -3,-0.1 -0.202 60.9-128.9 -53.9 124.8 -6.4 45.1 2.9 90 104 A P - 0 0 88 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.584 25.4-174.5 -78.8 135.7 -6.8 43.6 -0.6 91 105 A V + 0 0 20 -2,-0.3 80,-2.6 80,-0.1 2,-0.3 -0.998 11.1 165.4-130.5 128.0 -7.7 39.9 -0.8 92 106 A S E +A 170 0A 48 -2,-0.4 2,-0.3 78,-0.2 78,-0.2 -0.977 10.9 170.3-141.3 159.6 -7.9 38.0 -4.1 93 107 A F E -A 169 0A 47 76,-2.0 76,-2.8 -2,-0.3 2,-0.2 -0.967 29.7-112.7-159.4 162.8 -8.0 34.5 -5.6 94 108 A G E -A 168 0A 20 -2,-0.3 74,-0.2 74,-0.2 71,-0.1 -0.621 21.5-151.5 -96.5 157.9 -8.6 32.8 -8.9 95 109 A I E -A 167 0A 4 72,-2.3 72,-0.7 -2,-0.2 71,-0.5 -0.980 8.3-147.3-134.3 122.6 -11.6 30.6 -9.7 96 110 A P > - 0 0 13 0, 0.0 3,-2.4 0, 0.0 69,-0.2 -0.491 31.1-106.7 -85.8 161.1 -11.5 27.7 -12.2 97 111 A A G > S+ 0 0 1 64,-0.7 3,-2.1 67,-0.7 66,-0.2 0.857 117.6 66.1 -51.3 -39.0 -14.5 26.6 -14.3 98 112 A G G 3 S+ 0 0 11 64,-2.8 -1,-0.3 1,-0.3 279,-0.1 0.602 100.6 48.6 -58.6 -16.4 -14.8 23.5 -12.1 99 113 A R G < S+ 0 0 55 -3,-2.4 153,-0.7 63,-0.2 152,-0.3 0.115 107.0 75.7-111.7 20.1 -15.8 25.7 -9.1 100 114 A A B < -c 252 0B 2 -3,-2.1 271,-0.4 151,-0.1 2,-0.3 -0.840 51.2-172.0-130.7 161.5 -18.4 27.7 -11.2 101 115 A S > - 0 0 0 151,-1.5 4,-2.7 -2,-0.3 5,-0.2 -0.961 35.6-119.8-149.9 149.9 -21.9 27.4 -12.7 102 116 A I H > S+ 0 0 26 -2,-0.3 4,-2.4 2,-0.2 5,-0.1 0.903 119.1 46.3 -55.7 -47.5 -23.9 29.7 -15.0 103 117 A K H > S+ 0 0 93 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.857 113.4 50.9 -63.5 -36.2 -26.7 30.1 -12.3 104 118 A G H > S+ 0 0 0 148,-0.3 4,-2.1 2,-0.2 149,-0.2 0.891 109.4 48.3 -68.1 -42.2 -23.9 30.7 -9.7 105 119 A I H X S+ 0 0 0 -4,-2.7 4,-2.5 147,-0.3 5,-0.2 0.941 109.9 53.4 -63.2 -47.0 -22.2 33.4 -11.9 106 120 A E H X S+ 0 0 41 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.891 111.2 46.1 -49.8 -52.6 -25.6 35.2 -12.5 107 121 A E H X S+ 0 0 48 -4,-1.9 4,-0.5 2,-0.2 3,-0.3 0.902 111.0 51.7 -60.6 -47.5 -26.2 35.3 -8.7 108 122 A F H >< S+ 0 0 0 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.906 109.0 49.9 -57.2 -45.7 -22.6 36.6 -7.9 109 123 A L H 3< S+ 0 0 4 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.785 109.2 55.4 -64.4 -28.2 -23.0 39.5 -10.5 110 124 A S H 3< S+ 0 0 71 -4,-1.2 2,-1.0 -3,-0.3 -1,-0.2 0.506 74.4 113.0 -82.6 -11.9 -26.4 40.4 -8.8 111 125 A L XX - 0 0 25 -3,-1.2 3,-1.7 -4,-0.5 4,-0.9 -0.556 56.1-158.6 -69.4 101.3 -24.9 40.8 -5.3 112 126 A V H 3> S+ 0 0 114 -2,-1.0 4,-2.4 1,-0.3 3,-0.5 0.823 87.1 61.8 -49.6 -38.8 -25.4 44.6 -4.8 113 127 A F H 3> S+ 0 0 19 1,-0.2 4,-2.0 2,-0.2 6,-0.3 0.737 98.9 57.4 -62.3 -25.6 -22.7 44.8 -2.1 114 128 A L H <4>S+ 0 0 0 -3,-1.7 5,-1.5 2,-0.2 4,-0.4 0.885 110.1 42.9 -73.0 -36.9 -20.1 43.6 -4.7 115 129 A T H ><5S+ 0 0 72 -4,-0.9 3,-0.8 -3,-0.5 -2,-0.2 0.959 121.4 39.0 -70.5 -54.7 -20.9 46.5 -7.0 116 130 A E H 3<5S+ 0 0 117 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.811 113.3 55.7 -68.8 -29.3 -21.1 49.2 -4.2 117 131 A G T 3<5S- 0 0 1 -4,-2.0 56,-1.3 -5,-0.2 57,-0.8 0.531 112.1-116.2 -78.2 -12.4 -18.1 47.8 -2.3 118 132 A G T < 5 + 0 0 39 -3,-0.8 -3,-0.2 -4,-0.4 -4,-0.1 0.617 54.3 161.8 84.7 18.1 -15.8 48.0 -5.3 119 133 A A < - 0 0 2 -5,-1.5 2,-0.4 -6,-0.3 52,-0.2 -0.241 25.3-144.8 -64.0 152.7 -15.0 44.3 -5.8 120 134 A E E +B 170 0A 60 50,-2.5 50,-2.8 51,-0.1 2,-0.3 -0.958 20.7 172.0-125.9 145.4 -13.6 43.2 -9.1 121 135 A F E +B 169 0A 0 -2,-0.4 16,-3.0 48,-0.2 17,-0.4 -0.969 24.9 94.7-152.1 136.4 -14.2 40.1 -11.2 122 136 A G E -B 168 0A 0 46,-1.8 46,-2.5 -2,-0.3 14,-0.1 -0.975 67.0 -47.3 169.0-176.4 -13.1 39.1 -14.7 123 137 A P E S+B 167 0A 9 0, 0.0 11,-2.8 0, 0.0 12,-1.2 -0.414 73.9 97.8 -74.6 155.0 -10.6 37.4 -17.0 124 138 A G E -D 133 0C 11 42,-2.0 2,-0.3 9,-0.3 9,-0.2 -0.945 59.2 -71.8 171.8-148.8 -7.0 38.1 -16.5 125 139 A K E -D 132 0C 120 7,-1.5 7,-3.9 -2,-0.3 2,-0.3 -0.968 41.8-101.2-147.0 149.7 -3.5 37.2 -15.1 126 140 A A E -D 131 0C 67 -2,-0.3 -2,-0.0 5,-0.3 42,-0.0 -0.585 45.7-164.8 -74.0 135.3 -1.9 37.1 -11.7 127 141 A G E > -D 130 0C 20 3,-0.8 3,-0.7 -2,-0.3 -1,-0.0 -0.686 36.0 -91.5-117.6 175.6 0.3 40.2 -11.3 128 142 A P T 3 S+ 0 0 90 0, 0.0 -2,-0.0 0, 0.0 4,-0.0 0.743 126.3 24.4 -60.1 -26.2 3.1 41.2 -8.9 129 143 A F T 3 S- 0 0 205 1,-0.6 -3,-0.0 2,-0.0 3,-0.0 0.275 136.2 -52.8-122.6 9.4 0.7 42.9 -6.4 130 144 A G E < S-D 127 0C 29 -3,-0.7 -3,-0.8 -39,-0.0 -1,-0.6 -0.821 92.0 -18.4 138.5-176.9 -2.5 41.0 -7.3 131 145 A P E -D 126 0C 25 0, 0.0 2,-0.7 0, 0.0 -5,-0.3 -0.170 45.2-143.3 -61.8 149.3 -4.5 40.2 -10.5 132 146 A R E -D 125 0C 132 -7,-3.9 -7,-1.5 -4,-0.0 2,-0.3 -0.938 26.5-149.5-110.6 96.1 -4.1 42.1 -13.7 133 147 A F E -D 124 0C 45 -2,-0.7 -9,-0.3 -9,-0.2 3,-0.1 -0.552 23.5-169.8 -72.8 131.4 -7.7 42.2 -15.1 134 148 A D S S+ 0 0 115 -11,-2.8 2,-0.3 1,-0.4 -10,-0.2 0.851 87.0 6.2 -82.0 -37.4 -8.3 42.3 -18.8 135 149 A K - 0 0 109 -12,-1.2 2,-0.4 -3,-0.1 -1,-0.4 -0.973 62.3-153.4-141.4 150.1 -12.0 43.1 -17.9 136 150 A N > - 0 0 42 -2,-0.3 3,-1.7 -3,-0.1 -14,-0.2 -0.967 7.2-159.7-126.8 109.8 -13.9 43.8 -14.6 137 151 A Y T 3 S+ 0 0 19 -16,-3.0 -15,-0.1 -2,-0.4 -1,-0.1 0.708 88.9 65.3 -63.0 -23.3 -17.7 42.8 -14.9 138 152 A F T 3 S+ 0 0 17 -17,-0.4 2,-0.6 -19,-0.1 3,-0.4 0.479 81.6 92.9 -79.6 -2.9 -18.6 45.1 -12.0 139 153 A K S < S- 0 0 151 -3,-1.7 -3,-0.1 1,-0.2 -24,-0.0 -0.864 111.3 -15.2 -94.2 118.3 -17.6 48.1 -14.1 140 154 A N S S- 0 0 143 -2,-0.6 2,-0.6 1,-0.2 -1,-0.2 0.832 85.5-177.8 57.6 42.1 -20.8 49.4 -16.0 141 155 A L - 0 0 42 -3,-0.4 -1,-0.2 -32,-0.0 -3,-0.1 -0.635 17.4-153.8 -76.3 114.2 -22.8 46.3 -15.3 142 156 A N >> - 0 0 66 -2,-0.6 3,-1.1 1,-0.1 4,-0.5 -0.807 10.9-145.2 -82.3 115.7 -26.2 46.5 -16.9 143 157 A P T 34 S+ 0 0 94 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.707 96.1 63.0 -61.4 -19.3 -28.4 44.2 -14.7 144 158 A E T 34 S+ 0 0 153 1,-0.2 4,-0.3 2,-0.1 -3,-0.0 0.787 100.8 51.8 -70.7 -35.3 -30.4 43.1 -17.9 145 159 A Q T <> S+ 0 0 111 -3,-1.1 4,-2.4 1,-0.2 3,-0.2 0.524 81.5 96.5 -80.8 -12.8 -27.2 41.6 -19.5 146 160 A I H X S+ 0 0 17 -4,-0.5 4,-2.5 -3,-0.4 -1,-0.2 0.852 80.4 51.0 -51.6 -44.8 -26.3 39.4 -16.5 147 161 A P H > S+ 0 0 49 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.929 116.7 40.6 -61.4 -42.7 -28.0 36.1 -17.7 148 162 A D H > S+ 0 0 107 -4,-0.3 4,-1.4 -3,-0.2 -2,-0.2 0.817 116.4 49.2 -70.5 -36.6 -26.2 36.3 -21.2 149 163 A L H X S+ 0 0 33 -4,-2.4 4,-3.2 2,-0.2 5,-0.2 0.883 106.0 57.1 -71.0 -38.6 -22.9 37.5 -19.7 150 164 A A H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.820 107.4 49.0 -60.9 -34.8 -23.0 34.6 -17.0 151 165 A K H X S+ 0 0 94 -4,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.886 113.7 46.7 -69.4 -42.6 -23.2 32.1 -19.9 152 166 A Q H X S+ 0 0 85 -4,-1.4 4,-2.8 2,-0.2 -2,-0.2 0.925 110.7 50.5 -66.0 -48.9 -20.2 33.9 -21.7 153 167 A I H X S+ 0 0 0 -4,-3.2 4,-2.1 1,-0.2 -2,-0.2 0.919 112.8 48.6 -54.1 -49.7 -18.1 34.0 -18.5 154 168 A Y H X S+ 0 0 6 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.911 111.8 46.3 -58.5 -49.8 -18.7 30.3 -18.0 155 169 A F H X S+ 0 0 124 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.895 113.2 51.4 -63.7 -35.8 -17.9 29.3 -21.6 156 170 A D H X S+ 0 0 33 -4,-2.8 4,-1.4 2,-0.2 -1,-0.2 0.848 107.7 51.8 -64.0 -39.0 -14.7 31.5 -21.3 157 171 A M H X S+ 0 0 2 -4,-2.1 4,-0.9 1,-0.2 -60,-0.5 0.842 111.9 47.5 -67.3 -34.2 -13.7 29.7 -18.0 158 172 A C H < S+ 0 0 50 -4,-1.7 4,-0.2 2,-0.2 -2,-0.2 0.825 103.4 61.1 -70.2 -43.8 -14.1 26.3 -19.9 159 173 A K H < S+ 0 0 169 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.918 106.9 47.0 -53.5 -42.3 -12.1 27.5 -22.9 160 174 A Y H < S- 0 0 122 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.835 130.4 -82.7 -70.2 -32.7 -9.1 28.0 -20.5 161 175 A G >< - 0 0 6 -4,-0.9 3,-1.1 3,-0.2 -64,-0.7 -0.191 28.1-102.9 131.5 138.2 -9.6 24.5 -18.9 162 176 A H T 3 S+ 0 0 14 247,-1.1 -64,-2.8 1,-0.3 -63,-0.2 0.857 122.6 28.9 -47.3 -51.6 -11.9 23.0 -16.1 163 177 A S T 3 S+ 0 0 70 246,-0.2 2,-0.3 -66,-0.2 -1,-0.3 0.287 104.8 99.5 -97.7 7.6 -9.1 22.9 -13.4 164 178 A N < - 0 0 46 -3,-1.1 -67,-0.7 -7,-0.2 2,-0.6 -0.737 68.7-131.5 -98.6 144.9 -7.2 26.0 -14.8 165 179 A T + 0 0 50 -2,-0.3 3,-0.1 -69,-0.2 -3,-0.1 -0.882 47.6 137.8-105.6 114.5 -7.5 29.5 -13.4 166 180 A N + 0 0 35 -2,-0.6 -42,-2.0 -71,-0.5 2,-0.4 0.501 60.5 73.7-120.4 -33.4 -8.1 32.4 -15.9 167 181 A H E -AB 95 123A 1 -72,-0.7 -72,-2.3 -44,-0.2 2,-0.3 -0.843 63.6-165.0-100.6 130.8 -10.7 34.3 -13.9 168 182 A F E -AB 94 122A 26 -46,-2.5 -46,-1.8 -2,-0.4 2,-0.4 -0.845 8.7-154.8-119.4 151.5 -9.8 36.4 -10.8 169 183 A Y E -AB 93 121A 0 -76,-2.8 -76,-2.0 -2,-0.3 2,-0.6 -0.997 1.7-165.9-130.1 123.4 -11.8 37.9 -8.0 170 184 A L E -AB 92 120A 18 -50,-2.8 -50,-2.5 -2,-0.4 -78,-0.2 -0.960 26.5-133.8-108.2 114.3 -10.7 40.9 -5.9 171 185 A A - 0 0 0 -80,-2.6 -80,-0.1 -2,-0.6 43,-0.1 0.052 31.9 -72.4 -65.0 172.6 -12.8 41.2 -2.8 172 186 A V - 0 0 0 41,-0.2 -54,-0.2 1,-0.1 -1,-0.1 -0.389 36.2-177.2 -65.6 138.7 -14.5 44.3 -1.3 173 187 A M + 0 0 73 -56,-1.3 2,-0.4 -3,-0.1 -1,-0.1 0.375 62.3 76.6-118.4 -0.3 -12.2 46.9 0.3 174 188 A K S S- 0 0 116 -57,-0.8 -55,-0.1 1,-0.1 -86,-0.1 -0.949 107.3 -12.8-116.4 133.9 -15.0 49.3 1.5 175 189 A N > + 0 0 86 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 0.736 67.0 157.6 49.1 42.9 -17.3 48.7 4.6 176 190 A V H > S+ 0 0 3 -89,-0.3 4,-2.9 1,-0.2 5,-0.2 0.920 75.4 55.1 -57.9 -42.1 -16.5 45.0 5.3 177 191 A D H > S+ 0 0 103 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.864 109.3 48.3 -57.6 -38.1 -17.7 45.4 9.0 178 192 A V H > S+ 0 0 55 2,-0.2 4,-2.5 -3,-0.2 -1,-0.2 0.921 112.7 46.0 -69.1 -48.7 -21.0 46.8 7.7 179 193 A Y H X S+ 0 0 19 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.886 110.1 55.2 -64.7 -37.9 -21.6 44.0 5.2 180 194 A L H X S+ 0 0 0 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.915 112.7 42.2 -58.8 -46.4 -20.6 41.4 7.8 181 195 A E H X S+ 0 0 83 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.872 114.3 51.5 -66.9 -41.6 -23.3 42.8 10.2 182 196 A K H X S+ 0 0 122 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.934 110.0 47.9 -64.4 -47.0 -25.9 43.1 7.3 183 197 A I H X S+ 0 0 9 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.898 113.2 50.4 -56.7 -44.7 -25.4 39.5 6.1 184 198 A T H X S+ 0 0 3 -4,-1.8 4,-2.2 -5,-0.2 -2,-0.2 0.876 111.6 47.0 -59.8 -45.5 -25.7 38.4 9.9 185 199 A Q H X S+ 0 0 98 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.912 111.9 49.7 -65.1 -46.1 -29.0 40.4 10.3 186 200 A S H X S+ 0 0 39 -4,-2.4 4,-3.1 2,-0.2 5,-0.2 0.927 111.5 50.6 -59.1 -46.9 -30.5 39.0 7.0 187 201 A Y H X S+ 0 0 6 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.940 111.8 45.4 -54.3 -59.6 -29.6 35.5 8.2 188 202 A N H X S+ 0 0 20 -4,-2.2 4,-0.6 2,-0.2 -1,-0.2 0.759 117.6 45.5 -56.7 -33.0 -31.3 35.9 11.7 189 203 A K H >X S+ 0 0 149 -4,-2.0 3,-0.6 -5,-0.2 4,-0.5 0.972 117.2 42.4 -75.3 -54.3 -34.4 37.5 10.1 190 204 A E H >X S+ 0 0 47 -4,-3.1 4,-1.6 1,-0.2 3,-1.5 0.854 105.7 60.0 -60.5 -45.6 -34.8 34.9 7.2 191 205 A I H 3< S+ 0 0 21 -4,-3.0 -1,-0.2 1,-0.3 -3,-0.1 0.825 103.3 54.0 -53.7 -35.1 -34.1 31.7 9.2 192 206 A K H << S+ 0 0 155 -4,-0.6 -1,-0.3 -3,-0.6 -2,-0.2 0.692 107.0 53.1 -69.1 -25.5 -37.1 32.6 11.4 193 207 A T H << S+ 0 0 96 -3,-1.5 -2,-0.2 -4,-0.5 -1,-0.2 0.858 89.1 90.9 -75.9 -46.3 -39.2 32.8 8.2 194 208 A A < + 0 0 6 -4,-1.6 3,-0.0 1,-0.1 0, 0.0 -0.356 48.2 176.8 -60.4 125.2 -38.3 29.4 6.9 195 209 A E + 0 0 156 -2,-0.1 -1,-0.1 5,-0.0 2,-0.1 0.859 59.2 56.4 -98.8 -50.2 -40.7 26.6 8.0 196 210 A T S > S- 0 0 74 1,-0.1 4,-2.0 4,-0.0 5,-0.1 -0.338 86.3-114.7 -79.5 166.0 -39.4 23.4 6.2 197 211 A L H > S+ 0 0 37 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.790 117.2 53.8 -67.0 -36.6 -35.8 21.9 6.5 198 212 A D H > S+ 0 0 85 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.877 108.1 49.3 -66.6 -39.9 -35.2 22.6 2.8 199 213 A E H > S+ 0 0 70 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.936 112.1 49.3 -64.0 -47.0 -36.1 26.3 3.3 200 214 A K H X S+ 0 0 49 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.943 111.1 48.6 -56.7 -48.7 -33.8 26.4 6.3 201 215 A L H X S+ 0 0 2 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.890 109.8 52.7 -56.7 -47.2 -30.9 24.8 4.3 202 216 A K H X S+ 0 0 65 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2,-0.3 2,-0.1 -1,-0.2 -0.014 98.5 79.4 -86.3 30.6 -32.8 12.9 26.6 317 331 A L S < S- 0 0 25 -3,-0.7 -3,-0.0 -313,-0.0 0, 0.0 -0.996 79.7-127.1-139.5 137.0 -32.7 12.8 22.7 318 332 A N > - 0 0 80 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 -0.772 17.3-171.2 -87.7 107.4 -34.2 10.2 20.3 319 333 A P H > S+ 0 0 47 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.805 84.7 58.0 -67.5 -26.8 -31.4 9.0 17.9 320 334 A E H > S+ 0 0 116 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.929 108.8 42.1 -67.5 -49.1 -34.0 7.1 15.7 321 335 A K H > S+ 0 0 152 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.870 115.9 51.8 -64.3 -37.0 -36.2 10.2 15.0 322 336 A L H X S+ 0 0 10 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.927 113.7 43.8 -64.9 -42.4 -32.9 12.1 14.5 323 337 A H H X S+ 0 0 59 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.854 113.8 49.6 -67.7 -44.1 -31.8 9.3 12.0 324 338 A L H X S+ 0 0 82 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.827 109.3 53.6 -67.3 -33.0 -35.2 9.1 10.2 325 339 A K H X S+ 0 0 84 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.899 110.5 44.1 -70.6 -42.6 -35.2 12.9 9.8 326 340 A T H X S+ 0 0 4 -4,-1.6 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-3,-0.9 5,-0.3 -2,-0.4 0, 0.0 -0.976 103.1 -23.5-138.0 122.7 -30.0 12.3 -9.7 337 351 A Y S > S- 0 0 41 -2,-0.4 4,-2.3 3,-0.1 5,-0.3 0.929 74.1-175.4 43.5 61.6 -27.2 10.8 -11.9 338 352 A P H > S+ 0 0 24 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.865 77.0 50.1 -58.0 -35.5 -27.9 7.4 -10.4 339 353 A L H > S+ 0 0 6 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.878 111.7 49.0 -68.4 -37.1 -24.9 5.7 -12.2 340 354 A H H > S+ 0 0 1 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.955 114.0 43.5 -65.5 -53.5 -22.6 8.5 -11.1 341 355 A R H X S+ 0 0 20 -4,-2.3 4,-3.1 -5,-0.3 5,-0.3 0.848 113.5 54.4 -60.8 -38.6 -23.7 8.3 -7.3 342 356 A G H X S+ 0 0 4 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.919 104.0 53.0 -60.6 -47.2 -23.6 4.5 -7.6 343 357 A A H < S+ 0 0 0 -4,-2.2 47,-0.3 1,-0.2 -1,-0.2 0.763 117.2 40.8 -60.5 -25.0 -19.9 4.6 -8.9 344 358 A I H < S+ 0 0 12 -4,-1.0 -59,-0.3 -3,-0.3 -2,-0.2 0.893 132.5 16.0 -87.6 -48.6 -19.1 6.7 -5.8 345 359 A Y H < S+ 0 0 27 -4,-3.1 2,-0.4 -5,-0.1 -3,-0.2 0.746 99.0 90.2-102.3 -32.5 -21.2 4.9 -3.0 346 360 A L < + 0 0 46 -4,-2.0 47,-0.2 -5,-0.3 46,-0.1 -0.640 29.0 157.0 -80.3 127.1 -22.3 1.4 -4.2 347 361 A S + 0 0 97 -2,-0.4 -1,-0.1 45,-0.1 45,-0.1 0.510 43.3 103.7-120.4 -14.4 -20.0 -1.6 -3.5 348 362 A D > - 0 0 73 1,-0.1 4,-2.2 44,-0.0 3,-0.3 -0.626 62.1-147.4 -75.7 118.9 -22.6 -4.6 -3.6 349 363 A P H > S+ 0 0 85 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.824 96.9 50.4 -54.4 -37.4 -22.3 -6.5 -7.0 350 364 A G H > S+ 0 0 45 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.862 110.5 46.6 -68.8 -43.0 -26.0 -7.3 -7.0 351 365 A E H > S+ 0 0 113 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.887 114.1 49.9 -67.5 -39.3 -27.2 -3.8 -6.4 352 366 A I H X S+ 0 0 1 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.914 110.4 49.3 -64.3 -45.1 -24.8 -2.5 -9.1 353 367 A K H X S+ 0 0 114 -4,-2.2 4,-0.6 1,-0.2 -1,-0.2 0.853 111.5 49.2 -64.0 -37.2 -26.0 -5.2 -11.6 354 368 A L H >< S+ 0 0 142 -4,-1.8 3,-0.7 1,-0.2 -1,-0.2 0.911 110.5 51.4 -67.0 -42.7 -29.6 -4.2 -11.0 355 369 A L H 3< S+ 0 0 35 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.738 110.4 47.9 -63.2 -34.8 -28.8 -0.5 -11.4 356 370 A L H >< S+ 0 0 0 -4,-1.5 3,-1.0 -5,-0.1 -1,-0.2 0.524 87.4 111.5 -90.9 -4.8 -27.0 -1.1 -14.8 357 371 A S T << S+ 0 0 58 -3,-0.7 3,-0.1 -4,-0.6 -3,-0.0 -0.344 85.9 7.2 -68.4 143.1 -29.8 -3.2 -16.2 358 372 A N T 3 S+ 0 0 175 1,-0.2 2,-0.3 -2,-0.1 -1,-0.2 0.386 95.8 137.3 60.9 3.1 -31.9 -1.8 -19.1 359 373 A R < - 0 0 68 -3,-1.0 -1,-0.2 1,-0.1 2,-0.1 -0.577 44.0-138.5 -80.8 136.3 -29.4 1.3 -19.3 360 374 A N > - 0 0 84 -2,-0.3 4,-2.4 -3,-0.1 3,-0.3 -0.268 27.4 -94.7 -89.0 176.3 -28.3 2.5 -22.8 361 375 A E H > S+ 0 0 153 1,-0.2 4,-1.5 2,-0.2 42,-0.2 0.808 124.5 51.9 -55.5 -39.9 -25.0 3.6 -24.4 362 376 A S H 4 S+ 0 0 84 2,-0.2 -1,-0.2 1,-0.2 4,-0.1 0.837 112.1 45.3 -72.6 -32.5 -26.0 7.3 -23.7 363 377 A Q H >4 S+ 0 0 63 -3,-0.3 3,-0.6 2,-0.2 -2,-0.2 0.860 113.5 48.2 -76.6 -40.2 -26.7 6.6 -20.0 364 378 A I H 3< S+ 0 0 7 -4,-2.4 18,-0.4 1,-0.2 -2,-0.2 0.824 119.4 40.1 -70.2 -30.8 -23.5 4.5 -19.4 365 379 A N T 3< S+ 0 0 32 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.298 86.6 142.3 -99.7 6.4 -21.4 7.2 -21.1 366 380 A Q < - 0 0 90 -3,-0.6 2,-0.5 -4,-0.1 -3,-0.1 -0.265 34.8-161.4 -57.1 126.9 -23.2 10.2 -19.6 367 381 A Q - 0 0 58 13,-0.1 13,-0.2 -2,-0.1 10,-0.1 -0.965 21.4-126.7-110.9 118.3 -21.0 13.1 -18.6 368 382 A I B -e 377 0D 11 11,-1.3 10,-3.6 8,-0.6 11,-0.2 -0.402 22.5-134.2 -70.1 143.2 -22.7 15.5 -16.1 369 383 A E > - 0 0 114 8,-0.2 3,-1.3 1,-0.2 -1,-0.1 -0.446 37.9 -61.7 -93.2 168.9 -23.0 19.2 -16.9 370 384 A Q T 3 S+ 0 0 51 1,-0.2 -1,-0.2 -2,-0.1 -269,-0.1 -0.021 112.8 47.2 -45.7 146.8 -22.3 22.4 -14.8 371 385 A G T 3 S+ 0 0 14 1,-0.5 -1,-0.2 -271,-0.4 -117,-0.1 -0.116 82.6 106.1 104.2 -33.6 -24.5 22.9 -11.7 372 386 A A S < S- 0 0 7 -3,-1.3 -1,-0.5 1,-0.1 5,-0.2 -0.367 94.8 -72.6 -68.9 159.7 -24.1 19.4 -10.3 373 387 A P >> - 0 0 2 0, 0.0 3,-1.8 0, 0.0 4,-0.7 -0.227 59.8-102.1 -51.4 143.0 -21.8 19.1 -7.2 374 388 A P T 34 S+ 0 0 16 0, 0.0 3,-0.3 0, 0.0 -2,-0.1 0.734 114.6 65.1 -41.6 -40.7 -18.2 19.5 -8.5 375 389 A I T 34 S+ 0 0 1 1,-0.2 -277,-0.0 -129,-0.1 -3,-0.0 0.734 104.6 48.1 -56.4 -27.1 -17.0 15.8 -8.5 376 390 A Y T X4 S+ 0 0 3 -3,-1.8 3,-2.5 2,-0.1 -8,-0.6 0.838 78.5 116.9 -84.3 -38.7 -19.6 15.0 -11.2 377 391 A V B 3< S-e 368 0D 3 -4,-0.7 32,-0.3 -3,-0.3 -8,-0.2 -0.098 94.7 -9.2 -46.7 112.0 -19.0 17.8 -13.7 378 392 A G T 3 S+ 0 0 0 -10,-3.6 2,-0.3 1,-0.3 -1,-0.3 0.442 107.6 127.5 80.3 8.2 -17.8 16.4 -17.1 379 393 A K < - 0 0 14 -3,-2.5 -11,-1.3 -11,-0.2 -1,-0.3 -0.725 50.5-145.2-105.1 144.6 -17.4 12.9 -15.7 380 394 A T > - 0 0 4 -2,-0.3 4,-1.7 -13,-0.2 3,-0.2 -0.546 37.3-106.1 -90.8 163.9 -18.7 9.5 -16.8 381 395 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.902 123.2 60.4 -56.4 -34.3 -19.7 6.8 -14.2 382 396 A A H > S+ 0 0 2 -18,-0.4 4,-2.1 2,-0.2 5,-0.1 0.893 102.1 47.9 -59.4 -46.3 -16.3 5.1 -15.4 383 397 A H H > S+ 0 0 2 -3,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.906 114.2 49.4 -61.1 -39.9 -14.2 8.1 -14.2 384 398 A L H X S+ 0 0 0 -4,-1.7 4,-1.5 2,-0.2 6,-0.2 0.834 108.2 50.9 -69.6 -35.1 -16.0 8.0 -10.9 385 399 A A H X>S+ 0 0 0 -4,-2.2 5,-2.4 2,-0.2 4,-0.9 0.930 110.8 50.3 -68.1 -45.7 -15.6 4.3 -10.3 386 400 A V H ><5S+ 0 0 2 -4,-2.1 3,-0.9 1,-0.2 -2,-0.2 0.933 112.9 44.8 -57.5 -51.8 -11.8 4.6 -11.0 387 401 A I H 3<5S+ 0 0 15 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.792 117.1 46.3 -64.8 -30.1 -11.4 7.6 -8.5 388 402 A S H 3<5S- 0 0 7 -4,-1.5 -102,-0.9 -45,-0.2 -1,-0.2 0.505 109.5-121.0 -88.6 -8.0 -13.6 5.8 -5.8 389 403 A G T <<5 + 0 0 23 -3,-0.9 2,-1.8 -4,-0.9 -3,-0.2 0.654 52.8 164.0 72.0 19.7 -11.8 2.4 -6.3 390 404 A N >< + 0 0 14 -5,-2.4 4,-2.4 -47,-0.3 -1,-0.2 -0.518 7.4 166.0 -76.6 82.3 -15.2 0.9 -7.2 391 405 A M H > S+ 0 0 31 -2,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.863 74.5 54.6 -64.0 -41.5 -14.0 -2.4 -8.8 392 406 A A H > S+ 0 0 26 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.893 113.0 44.0 -62.3 -39.9 -17.5 -4.0 -8.8 393 407 A M H > S+ 0 0 0 -47,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.894 111.8 51.9 -71.1 -43.9 -18.9 -0.9 -10.7 394 408 A L H X S+ 0 0 1 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.912 110.4 49.7 -60.0 -41.4 -15.9 -0.8 -13.1 395 409 A D H X S+ 0 0 69 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.916 112.8 46.2 -61.6 -46.8 -16.5 -4.6 -13.9 396 410 A E H X S+ 0 0 23 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.912 113.6 49.1 -62.3 -44.1 -20.2 -4.0 -14.5 397 411 A L H <>S+ 0 0 0 -4,-2.9 5,-2.6 2,-0.2 -2,-0.2 0.889 111.1 49.3 -61.8 -42.9 -19.4 -0.9 -16.7 398 412 A I H ><5S+ 0 0 45 -4,-2.7 3,-1.5 1,-0.2 -2,-0.2 0.914 112.3 48.8 -62.3 -42.7 -16.8 -2.9 -18.7 399 413 A A H 3<5S+ 0 0 70 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.843 107.0 55.5 -63.7 -35.3 -19.4 -5.7 -19.2 400 414 A K T 3<5S- 0 0 64 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.389 119.6-115.3 -80.2 4.7 -21.9 -3.0 -20.3 401 415 A K T < 5 - 0 0 185 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.744 47.7-177.0 65.3 33.9 -19.4 -2.0 -23.0 402 416 A A < - 0 0 11 -5,-2.6 2,-0.8 1,-0.1 -1,-0.2 -0.188 33.8-108.4 -58.3 146.9 -18.7 1.5 -21.5 403 417 A D > - 0 0 69 -42,-0.2 3,-0.5 1,-0.1 -21,-0.1 -0.752 34.2-177.3 -83.1 114.9 -16.3 3.7 -23.4 404 418 A L T 3 S+ 0 0 9 -2,-0.8 10,-0.8 1,-0.2 11,-0.4 0.458 75.4 67.3 -89.0 -4.0 -13.1 3.9 -21.4 405 419 A S T 3 S+ 0 0 33 8,-0.1 -1,-0.2 9,-0.1 2,-0.2 0.462 70.9 120.1 -95.0 -4.7 -11.3 6.4 -23.8 406 420 A L < - 0 0 45 -3,-0.5 2,-0.4 1,-0.1 8,-0.3 -0.423 56.8-142.3 -65.7 128.0 -13.8 9.3 -23.0 407 421 A Q - 0 0 91 -2,-0.2 6,-0.2 6,-0.1 5,-0.1 -0.767 7.7-137.5 -96.5 137.6 -11.9 12.3 -21.6 408 422 A D > - 0 0 8 4,-2.9 3,-2.3 -2,-0.4 -29,-0.2 -0.102 45.5 -78.0 -77.9-175.7 -13.4 14.5 -18.8 409 423 A Y T 3 S+ 0 0 74 -32,-0.3 -247,-1.1 1,-0.3 -246,-0.2 0.603 134.1 56.2 -65.4 -6.0 -13.3 18.3 -18.7 410 424 A D T 3 S- 0 0 20 2,-0.2 39,-2.4 -248,-0.1 40,-0.3 0.303 120.4-109.9 -99.8 2.5 -9.6 18.1 -17.6 411 425 A G S < S+ 0 0 5 -3,-2.3 2,-0.3 37,-0.3 -2,-0.1 0.412 75.3 139.6 79.2 4.7 -8.7 16.0 -20.7 412 426 A K - 0 0 26 -5,-0.1 -4,-2.9 36,-0.1 -1,-0.3 -0.612 38.3-156.4 -86.4 137.8 -8.3 12.9 -18.4 413 427 A T >> - 0 0 2 -2,-0.3 4,-1.4 -6,-0.2 3,-0.5 -0.470 42.2 -93.2 -98.0 174.5 -9.5 9.3 -19.3 414 428 A A H 3> S+ 0 0 1 -10,-0.8 4,-1.3 -8,-0.3 -9,-0.1 0.772 128.4 58.9 -59.0 -25.0 -10.3 6.5 -16.8 415 429 A L H 3> S+ 0 0 2 -11,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.868 99.4 53.8 -72.8 -41.7 -6.6 5.5 -17.4 416 430 A H H <> S+ 0 0 2 -3,-0.5 4,-2.7 1,-0.2 -2,-0.2 0.882 111.7 46.1 -58.7 -46.1 -5.1 8.9 -16.2 417 431 A Y H X S+ 0 0 19 -4,-1.4 4,-2.1 2,-0.2 6,-0.2 0.829 109.9 53.8 -67.1 -34.7 -7.1 8.5 -12.8 418 432 A A H X>S+ 0 0 1 -4,-1.3 5,-1.7 2,-0.2 4,-0.8 0.954 113.4 42.7 -65.4 -46.3 -6.0 4.8 -12.5 419 433 A A H ><5S+ 0 0 4 -4,-2.4 3,-0.8 1,-0.2 -2,-0.2 0.923 114.5 50.7 -60.7 -50.6 -2.3 6.0 -12.9 420 434 A E H 3<5S+ 0 0 20 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.800 115.4 42.4 -57.6 -35.8 -2.9 9.0 -10.5 421 435 A C H 3<5S- 0 0 32 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.532 106.7-130.4 -88.9 -10.3 -4.5 6.8 -7.8 422 436 A G T <<5 + 0 0 35 -3,-0.8 2,-0.9 -4,-0.8 -3,-0.2 0.696 47.3 161.2 66.1 25.3 -1.8 4.0 -8.4 423 437 A N >< - 0 0 47 -5,-1.7 4,-1.9 -6,-0.2 -1,-0.2 -0.668 19.2-176.7 -82.6 103.8 -4.4 1.3 -8.7 424 438 A M H > S+ 0 0 154 -2,-0.9 4,-2.9 2,-0.2 -1,-0.2 0.927 81.1 50.3 -64.6 -47.6 -2.8 -1.7 -10.4 425 439 A Q H > S+ 0 0 116 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.945 114.3 41.9 -59.9 -50.1 -5.9 -3.8 -10.6 426 440 A I H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.879 115.7 52.0 -64.8 -35.7 -8.2 -1.1 -12.1 427 441 A M H X S+ 0 0 20 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.925 109.3 49.7 -63.1 -48.0 -5.4 -0.1 -14.5 428 442 A G H X S+ 0 0 30 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.900 109.4 51.2 -56.3 -47.1 -4.9 -3.7 -15.6 429 443 A K H X S+ 0 0 49 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.921 113.5 44.8 -58.7 -48.5 -8.7 -4.1 -16.3 430 444 A I H X S+ 0 0 1 -4,-2.1 4,-3.2 1,-0.2 -2,-0.2 0.903 114.2 48.8 -63.1 -45.7 -8.8 -0.9 -18.4 431 445 A L H X S+ 0 0 39 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.866 107.1 54.8 -65.5 -34.2 -5.5 -1.9 -20.3 432 446 A K H X S+ 0 0 156 -4,-2.5 4,-0.6 2,-0.2 -1,-0.2 0.927 115.8 40.5 -61.8 -43.2 -6.9 -5.5 -21.0 433 447 A V H >< S+ 0 0 33 -4,-1.7 3,-1.3 2,-0.2 4,-0.3 0.963 114.1 51.4 -66.1 -58.0 -9.9 -3.7 -22.6 434 448 A V H >< S+ 0 0 10 -4,-3.2 3,-1.0 1,-0.3 -2,-0.2 0.816 110.3 49.5 -50.5 -42.0 -7.9 -0.9 -24.4 435 449 A L H 3< S+ 0 0 117 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.626 99.7 64.6 -75.7 -18.5 -5.5 -3.4 -26.0 436 450 A S T << S+ 0 0 87 -3,-1.3 2,-0.3 -4,-0.6 -1,-0.2 0.419 94.7 77.1 -83.7 -1.2 -8.3 -5.7 -27.3 437 451 A Q S X S- 0 0 109 -3,-1.0 3,-1.5 -4,-0.3 0, 0.0 -0.846 88.4-120.8-110.3 146.3 -9.4 -2.7 -29.6 438 452 A E T 3 S+ 0 0 189 -2,-0.3 3,-0.3 1,-0.3 -1,-0.1 0.715 108.9 52.1 -59.5 -30.7 -7.7 -1.7 -32.8 439 453 A D T >> S+ 0 0 98 1,-0.2 4,-1.6 2,-0.1 3,-1.2 0.135 70.3 132.5 -94.6 21.2 -6.8 2.0 -31.8 440 454 A A H <> S+ 0 0 11 -3,-1.5 4,-2.0 1,-0.3 -1,-0.2 0.767 71.0 48.4 -35.2 -54.2 -5.1 0.8 -28.5 441 455 A I H 3> S+ 0 0 117 -3,-0.3 4,-1.5 1,-0.2 -1,-0.3 0.804 108.6 53.1 -62.3 -38.1 -1.9 3.0 -29.0 442 456 A K H <4 S+ 0 0 109 -3,-1.2 -1,-0.2 2,-0.2 -2,-0.2 0.898 110.5 49.1 -64.2 -42.3 -4.0 6.1 -29.8 443 457 A V H >< S+ 0 0 17 -4,-1.6 3,-1.2 1,-0.2 -2,-0.2 0.887 110.7 49.0 -64.4 -45.8 -5.9 5.6 -26.5 444 458 A L H 3< S+ 0 0 29 -4,-2.0 10,-0.6 1,-0.2 11,-0.4 0.808 108.4 54.9 -64.9 -33.9 -2.7 5.1 -24.4 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