==== 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 LIGASE 12-FEB-07 2OV4 . COMPND 2 MOLECULE: TRYPTOPHANYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR P.RETAILLEAU,C.W.CARTER JR. . 328 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15802.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 231 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 15 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 146 44.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 2 1 2 1 0 0 4 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 1 1 0 0 RESIDUES PER ALPHA HELIX . 1 1 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 0 0 0 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A M 0 0 155 0, 0.0 2,-0.1 0, 0.0 32,-0.1 0.000 360.0 360.0 360.0-174.5 75.8 24.3 47.2 2 2 A K - 0 0 122 30,-0.4 32,-2.9 1,-0.0 2,-0.4 -0.473 360.0-120.7 -80.9 157.2 72.4 25.8 47.7 3 3 A T E -a 34 0A 21 134,-0.3 136,-2.7 30,-0.2 137,-2.0 -0.871 23.9-169.6-103.9 139.3 69.4 23.5 47.4 4 4 A I E -ab 35 140A 0 30,-3.1 32,-2.0 -2,-0.4 2,-0.3 -0.894 0.9-171.1-120.9 149.3 66.5 23.9 45.0 5 5 A F E +a 36 0A 3 135,-1.6 2,-0.3 -2,-0.3 32,-0.2 -0.995 10.6 164.4-136.6 139.2 63.2 22.0 44.9 6 6 A S E -a 37 0A 2 30,-1.9 32,-2.3 -2,-0.3 2,-0.3 -0.977 14.2-160.5-152.8 142.5 60.5 22.1 42.2 7 7 A G E -a 38 0A 32 -2,-0.3 2,-0.4 30,-0.2 32,-0.2 -0.907 5.4-160.7-121.4 154.7 57.5 19.9 41.5 8 8 A I E -a 39 0A 13 30,-2.6 32,-1.4 -2,-0.3 53,-0.0 -0.996 24.9-126.0-135.1 120.1 55.3 19.3 38.4 9 9 A Q - 0 0 28 -2,-0.4 2,-1.6 30,-0.2 3,-0.3 -0.578 9.7-135.5 -66.2 134.5 51.9 17.7 38.8 10 10 A P + 0 0 0 0, 0.0 47,-0.2 0, 0.0 -1,-0.1 -0.155 68.1 121.0 -83.5 48.7 51.1 14.6 36.6 11 11 A S S S- 0 0 17 -2,-1.6 2,-0.3 46,-0.1 43,-0.1 0.237 84.4 -24.8 -95.3 9.2 47.7 16.0 35.7 12 12 A G S S- 0 0 14 -3,-0.3 2,-0.4 45,-0.1 184,-0.1 -0.914 94.9 -54.9 167.3 179.8 48.1 16.1 31.9 13 13 A V - 0 0 26 -2,-0.3 44,-0.0 182,-0.3 48,-0.0 -0.714 68.7-101.3 -78.1 131.5 51.1 16.3 29.5 14 14 A I - 0 0 2 -2,-0.4 192,-2.7 191,-0.1 193,-0.3 -0.188 39.6-137.4 -54.7 142.5 53.3 19.4 30.4 15 15 A T B >> -E 205 0B 0 190,-0.3 4,-2.0 191,-0.1 3,-0.6 -0.637 28.6-100.9-101.4 166.5 52.7 22.4 28.1 16 16 A I H 3> S+ 0 0 2 188,-2.3 4,-2.4 1,-0.3 5,-0.2 0.729 126.7 61.6 -57.7 -13.4 55.1 24.9 26.4 17 17 A G H 3> S+ 0 0 12 187,-0.4 4,-2.2 2,-0.2 -1,-0.3 0.941 103.6 43.3 -78.2 -46.2 53.9 27.0 29.4 18 18 A N H <>>S+ 0 0 36 -3,-0.6 5,-1.8 1,-0.2 4,-1.0 0.799 117.3 51.1 -65.8 -31.1 55.3 24.6 32.0 19 19 A Y H <>S+ 0 0 37 -4,-2.0 5,-2.6 3,-0.2 6,-0.3 0.924 113.6 39.5 -70.9 -52.1 58.4 24.3 29.8 20 20 A I H <5S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.840 121.6 43.3 -67.0 -39.3 59.1 28.1 29.4 21 21 A G H <5S- 0 0 6 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.661 136.5 -13.2 -84.4 -27.8 58.2 29.0 33.0 22 22 A A T >X5S+ 0 0 14 -4,-1.0 3,-1.5 -5,-0.2 4,-1.2 0.388 121.4 54.2-136.4 -71.4 59.9 26.2 34.9 23 23 A L H 3> S+ 0 0 36 -3,-1.5 4,-2.4 -6,-0.3 3,-0.9 0.721 98.2 72.5 -81.9 -18.8 65.5 26.5 33.6 26 26 A F H 3X S+ 0 0 0 -4,-1.2 4,-1.9 -3,-0.5 -1,-0.2 0.895 89.0 62.0 -58.5 -41.3 65.8 23.2 35.5 27 27 A V H 3< S+ 0 0 41 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.770 113.0 33.8 -61.7 -24.2 68.3 22.0 32.8 28 28 A E H X> S+ 0 0 108 -3,-0.9 3,-1.5 -4,-0.3 4,-0.6 0.876 114.6 56.3 -95.2 -43.8 70.8 24.8 33.7 29 29 A L H 3X S+ 0 0 5 -4,-2.4 4,-2.4 1,-0.3 3,-0.4 0.715 89.4 74.2 -59.1 -31.6 70.1 25.0 37.4 30 30 A Q H 3< S+ 0 0 6 -4,-1.9 -1,-0.3 1,-0.2 5,-0.2 0.673 100.2 47.0 -61.9 -15.8 70.9 21.3 38.0 31 31 A H H <4 S+ 0 0 120 -3,-1.5 -1,-0.2 1,-0.1 -2,-0.2 0.754 115.6 41.8 -94.8 -28.4 74.6 22.3 37.5 32 32 A E H < S+ 0 0 105 -4,-0.6 -30,-0.4 -3,-0.4 2,-0.3 0.698 120.2 34.1 -90.5 -26.3 74.6 25.3 39.8 33 33 A Y S < S- 0 0 22 -4,-2.4 2,-0.8 -32,-0.1 -30,-0.2 -0.793 83.0-102.6-129.1 167.7 72.5 23.8 42.6 34 34 A N E -a 3 0A 64 -32,-2.9 -30,-3.1 -2,-0.3 2,-0.5 -0.858 56.4-164.2 -88.8 104.9 71.7 20.7 44.5 35 35 A C E -ac 4 75A 4 -2,-0.8 41,-2.6 39,-0.6 2,-0.5 -0.903 28.2-169.9-110.6 135.9 68.3 20.0 42.9 36 36 A Y E -ac 5 76A 8 -32,-2.0 -30,-1.9 -2,-0.5 2,-0.5 -0.966 12.4-169.7-115.2 121.8 65.3 17.8 43.7 37 37 A F E -ac 6 77A 0 39,-3.0 41,-2.2 -2,-0.5 2,-0.4 -0.958 11.7-163.9-115.4 123.1 62.8 17.5 40.8 38 38 A C E -ac 7 78A 0 -32,-2.3 -30,-2.6 -2,-0.5 2,-1.0 -0.907 29.0-143.8-119.7 143.8 59.4 15.8 41.7 39 39 A I E -ac 8 79A 0 39,-2.7 2,-1.9 -2,-0.4 41,-1.4 -0.847 30.2-150.8 -96.0 92.8 56.5 14.3 39.9 40 40 A V > + 0 0 7 -32,-1.4 4,-1.5 -2,-1.0 3,-0.2 -0.508 34.2 156.8 -76.8 78.4 53.9 15.6 42.4 41 41 A D H > + 0 0 18 -2,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.819 68.7 59.3 -72.7 -31.0 51.2 12.8 42.1 42 42 A Q H 4 S+ 0 0 52 -3,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.778 107.4 49.5 -72.1 -22.3 49.5 13.3 45.5 43 43 A H H >4 S+ 0 0 2 -3,-0.2 3,-2.7 1,-0.2 4,-0.3 0.942 101.6 61.6 -77.7 -45.1 48.8 16.8 44.3 44 44 A A H >< S+ 0 0 0 -4,-1.5 3,-1.0 1,-0.3 -2,-0.2 0.817 98.1 60.1 -46.9 -39.0 47.4 15.6 41.0 45 45 A I T 3< S+ 0 0 106 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.424 73.5 90.2 -77.1 3.8 44.6 13.7 43.0 46 46 A T T < S+ 0 0 17 -3,-2.7 2,-0.3 75,-0.1 73,-0.3 0.676 100.9 36.2 -71.6 -5.7 43.2 16.8 44.7 47 47 A V S < S- 0 0 68 -3,-1.0 71,-0.0 -4,-0.3 0, 0.0 -0.942 114.2 -76.1-142.2 146.5 41.0 16.8 41.5 48 48 A W + 0 0 206 -2,-0.3 2,-0.4 1,-0.0 -2,-0.1 -0.247 49.4 175.5 -50.4 142.8 39.7 13.7 39.7 49 49 A Q - 0 0 28 -4,-0.1 -38,-0.0 -3,-0.0 5,-0.0 -0.991 36.4-115.7-147.7 130.7 42.1 11.8 37.5 50 50 A D > - 0 0 58 -2,-0.4 4,-2.4 1,-0.1 3,-0.3 -0.475 30.3-130.5 -68.5 130.9 41.4 8.6 35.6 51 51 A P H > S+ 0 0 83 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.908 103.4 47.7 -51.8 -49.3 43.6 6.0 37.3 52 52 A H H > S+ 0 0 129 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.843 114.7 47.3 -60.6 -37.7 45.1 4.5 34.1 53 53 A E H > S+ 0 0 102 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.833 108.9 52.5 -75.0 -34.8 45.8 8.0 32.7 54 54 A L H X S+ 0 0 24 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.945 109.9 50.8 -64.8 -45.8 47.4 9.3 36.0 55 55 A R H X S+ 0 0 190 -4,-2.2 4,-1.0 -5,-0.2 -1,-0.2 0.831 114.8 42.6 -54.4 -43.5 49.7 6.2 35.9 56 56 A Q H X S+ 0 0 61 -4,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.857 111.7 52.7 -77.9 -34.3 50.7 6.9 32.3 57 57 A N H X S+ 0 0 15 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.727 106.8 56.0 -70.8 -23.6 51.1 10.7 32.8 58 58 A I H X S+ 0 0 17 -4,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.873 111.0 42.4 -74.4 -39.2 53.4 10.0 35.7 59 59 A R H X S+ 0 0 64 -4,-1.0 4,-2.2 1,-0.2 -2,-0.2 0.887 114.1 51.8 -79.6 -30.0 55.7 7.9 33.6 60 60 A R H X S+ 0 0 72 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.820 107.8 51.0 -71.2 -38.6 55.5 10.4 30.7 61 61 A L H X S+ 0 0 7 -4,-1.4 4,-3.4 2,-0.2 -1,-0.2 0.885 109.1 52.3 -66.1 -37.7 56.4 13.4 32.9 62 62 A A H X S+ 0 0 0 -4,-1.4 4,-2.3 1,-0.2 -2,-0.2 0.954 110.2 48.2 -62.6 -48.9 59.4 11.4 34.1 63 63 A A H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.824 113.5 46.6 -62.5 -32.0 60.5 10.7 30.5 64 64 A L H X S+ 0 0 1 -4,-1.4 4,-3.3 2,-0.2 -2,-0.2 0.934 105.6 58.5 -78.4 -42.2 60.1 14.4 29.6 65 65 A Y H <>S+ 0 0 0 -4,-3.4 5,-1.4 1,-0.2 -2,-0.2 0.947 117.4 35.2 -46.0 -55.8 62.0 15.5 32.7 66 66 A L H ><5S+ 0 0 6 -4,-2.3 3,-2.7 3,-0.2 4,-0.2 0.933 113.4 58.3 -61.3 -55.9 64.9 13.4 31.4 67 67 A A H 3<5S+ 0 0 0 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.905 100.7 55.7 -45.6 -50.0 64.2 14.1 27.6 68 68 A V T 3<5S- 0 0 12 -4,-3.3 -1,-0.3 -5,-0.1 -2,-0.2 0.450 133.5 -88.9 -66.0 5.0 64.6 17.8 28.1 69 69 A G T < 5 + 0 0 32 -3,-2.7 2,-0.4 1,-0.3 -3,-0.2 0.664 68.4 156.3 98.4 22.1 68.1 17.1 29.6 70 70 A I < - 0 0 5 -5,-1.4 -1,-0.3 -4,-0.2 -43,-0.1 -0.668 37.5-139.8 -77.7 129.5 67.8 16.5 33.4 71 71 A D >> - 0 0 62 -2,-0.4 3,-3.0 1,-0.1 4,-1.8 -0.858 3.4-148.7-101.5 110.1 70.8 14.4 34.4 72 72 A P T 34 S+ 0 0 52 0, 0.0 5,-0.1 0, 0.0 -1,-0.1 0.602 99.2 53.4 -54.2 -11.5 70.0 11.7 36.9 73 73 A T T 34 S+ 0 0 109 1,-0.1 3,-0.1 3,-0.1 -3,-0.0 0.516 114.7 39.5-102.8 -3.1 73.5 12.0 38.4 74 74 A Q T <4 S+ 0 0 92 -3,-3.0 -39,-0.6 1,-0.3 2,-0.3 0.523 123.1 29.8-116.1 -20.5 73.3 15.8 38.9 75 75 A A E < S-c 35 0A 4 -4,-1.8 2,-0.7 -41,-0.1 -1,-0.3 -0.963 76.1-123.3-139.5 153.4 69.7 16.1 40.1 76 76 A T E -c 36 0A 27 -41,-2.6 -39,-3.0 -2,-0.3 2,-0.4 -0.919 28.5-172.0 -99.7 109.6 67.4 13.8 42.0 77 77 A L E +c 37 0A 3 -2,-0.7 2,-0.3 -41,-0.2 226,-0.2 -0.892 20.6 148.6-104.3 128.5 64.2 13.2 40.0 78 78 A F E -c 38 0A 0 -41,-2.2 -39,-2.7 -2,-0.4 2,-0.6 -0.983 48.3-102.3-156.7 165.9 61.4 11.3 41.9 79 79 A I E > -c 39 0A 10 -2,-0.3 3,-1.9 221,-0.2 4,-0.2 -0.880 27.7-140.7-102.5 116.4 57.7 10.6 42.5 80 80 A Q G > S+ 0 0 0 -41,-1.4 3,-2.2 -2,-0.6 6,-0.3 0.809 99.3 55.1 -33.7 -54.8 56.3 12.2 45.7 81 81 A S G 3 S+ 0 0 55 -42,-0.3 -1,-0.3 1,-0.3 6,-0.1 0.701 97.1 66.1 -63.6 -19.5 54.0 9.2 46.7 82 82 A E G < S+ 0 0 83 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.504 97.2 61.8 -80.3 -3.3 57.1 7.0 46.6 83 83 A V X - 0 0 0 -3,-2.2 3,-1.4 -4,-0.2 4,-0.4 -0.922 69.4-166.3-123.5 97.2 58.4 9.0 49.6 84 84 A P T >> S+ 0 0 76 0, 0.0 3,-1.6 0, 0.0 4,-1.5 0.783 78.6 77.1 -55.1 -32.9 56.0 8.7 52.6 85 85 A A H 3> S+ 0 0 1 1,-0.3 4,-3.2 2,-0.2 5,-0.3 0.783 83.4 65.2 -50.1 -32.4 57.6 11.7 54.4 86 86 A H H <> S+ 0 0 0 -3,-1.4 4,-1.3 -6,-0.3 -1,-0.3 0.865 107.3 40.5 -60.5 -37.1 55.8 14.1 52.1 87 87 A A H <> S+ 0 0 45 -3,-1.6 4,-1.2 -4,-0.4 -1,-0.2 0.799 115.0 52.2 -79.1 -31.1 52.5 13.0 53.6 88 88 A Q H X S+ 0 0 75 -4,-1.5 4,-1.5 1,-0.2 -2,-0.2 0.927 114.7 41.8 -71.1 -44.6 53.9 12.8 57.2 89 89 A A H X S+ 0 0 1 -4,-3.2 4,-2.2 1,-0.2 -1,-0.2 0.827 109.6 59.5 -63.4 -45.0 55.2 16.3 56.9 90 90 A A H X S+ 0 0 6 -4,-1.3 4,-0.8 -5,-0.3 -1,-0.2 0.821 106.3 47.3 -56.5 -36.2 52.0 17.5 55.2 91 91 A W H X S+ 0 0 158 -4,-1.2 4,-0.6 2,-0.2 -1,-0.2 0.881 109.6 51.9 -75.1 -41.5 49.9 16.5 58.2 92 92 A M H >< S+ 0 0 5 -4,-1.5 3,-0.6 1,-0.2 4,-0.2 0.901 114.0 45.1 -62.5 -38.2 52.2 18.1 60.8 93 93 A L H >X S+ 0 0 0 -4,-2.2 4,-1.5 1,-0.2 3,-0.9 0.722 103.1 63.2 -75.9 -24.2 52.0 21.3 58.8 94 94 A Q H 3< S+ 0 0 62 -4,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.727 100.0 58.1 -70.5 -16.4 48.3 21.0 58.3 95 95 A C T << S+ 0 0 71 -3,-0.6 -1,-0.2 -4,-0.6 -2,-0.2 0.537 111.7 36.3 -90.2 -14.0 48.2 21.3 62.1 96 96 A I T <4 S+ 0 0 1 -3,-0.9 -2,-0.2 -4,-0.2 -1,-0.2 0.508 99.0 89.7-112.8 -14.2 49.9 24.7 62.2 97 97 A V S < S- 0 0 11 -4,-1.5 2,-0.4 1,-0.0 3,-0.1 -0.486 76.6-126.3 -76.5 161.3 48.4 26.2 59.1 98 98 A Y >> - 0 0 117 1,-0.1 3,-1.7 -2,-0.1 4,-1.6 -0.902 7.6-131.0-112.4 137.5 45.1 28.1 59.6 99 99 A I H 3> S+ 0 0 111 -2,-0.4 4,-3.2 1,-0.3 3,-0.5 0.912 111.6 57.5 -50.7 -44.3 41.9 27.3 57.7 100 100 A G H 3> S+ 0 0 47 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.788 104.4 52.0 -55.5 -31.2 41.6 31.0 57.0 101 101 A E H <4 S+ 0 0 44 -3,-1.7 4,-0.3 2,-0.2 -1,-0.2 0.860 113.6 42.7 -75.2 -34.6 45.0 30.9 55.4 102 102 A L H >< S+ 0 0 6 -4,-1.6 3,-1.5 -3,-0.5 -2,-0.2 0.912 109.5 57.0 -74.0 -49.9 44.0 28.0 53.1 103 103 A E H 3< S+ 0 0 110 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.794 105.9 52.7 -50.6 -35.4 40.6 29.5 52.3 104 104 A R T 3< S+ 0 0 166 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.579 77.0 121.2 -83.7 -9.1 42.3 32.7 51.0 105 105 A M X> - 0 0 8 -3,-1.5 4,-1.6 -4,-0.3 3,-0.6 -0.331 61.4-139.4 -57.7 131.1 44.7 30.9 48.6 106 106 A T H >> S+ 0 0 69 1,-0.3 4,-2.3 2,-0.2 3,-0.6 0.939 101.1 53.6 -58.4 -51.7 44.1 32.2 45.0 107 107 A Q H 3> S+ 0 0 23 1,-0.3 4,-1.9 39,-0.2 -1,-0.3 0.747 108.8 52.3 -57.6 -25.4 44.5 28.8 43.3 108 108 A F H <> S+ 0 0 30 -3,-0.6 4,-1.2 2,-0.2 -1,-0.3 0.843 108.8 45.9 -82.8 -34.1 41.8 27.5 45.7 109 109 A K H << S+ 0 0 120 -4,-1.6 -2,-0.2 -3,-0.6 -1,-0.1 0.826 119.3 44.3 -74.9 -30.7 39.2 30.2 45.1 110 110 A E H < S+ 0 0 142 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.974 117.1 41.3 -71.8 -63.2 39.8 29.8 41.3 111 111 A K H < S+ 0 0 72 -4,-1.9 2,-0.9 -5,-0.2 -2,-0.2 0.720 112.4 61.8 -58.6 -27.9 39.9 25.9 41.2 112 112 A S S < S+ 0 0 27 -4,-1.2 -1,-0.2 -5,-0.1 2,-0.1 -0.897 78.1 174.4 -99.6 91.4 36.9 26.0 43.6 113 113 A A - 0 0 48 -2,-0.9 -3,-0.1 1,-0.0 -2,-0.0 -0.213 65.5 -68.5 -79.6-167.4 34.5 27.8 41.4 114 114 A G S S+ 0 0 86 -2,-0.1 -2,-0.0 3,-0.0 -1,-0.0 0.612 90.0 154.6 -59.4 -8.3 30.9 28.1 42.7 115 115 A K - 0 0 140 1,-0.1 3,-0.1 -4,-0.0 -4,-0.0 0.191 52.8-118.2 -24.4 124.8 31.2 24.3 42.1 116 116 A E S S+ 0 0 202 1,-0.2 2,-0.4 -4,-0.0 -1,-0.1 0.799 88.2 9.3 -45.3 -51.2 28.7 22.5 44.4 117 117 A A - 0 0 89 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.987 69.5-160.6-140.3 126.3 31.0 20.3 46.6 118 118 A V - 0 0 68 -2,-0.4 2,-0.2 -3,-0.1 -71,-0.1 -0.824 23.5-113.7-110.1 147.0 34.8 20.5 46.6 119 119 A S >> - 0 0 61 -2,-0.3 3,-1.8 -73,-0.3 4,-0.6 -0.565 23.5-129.1 -75.2 139.0 37.4 17.9 47.9 120 120 A A H 3> S+ 0 0 69 1,-0.3 4,-3.2 -2,-0.2 3,-0.2 0.705 103.6 74.3 -62.7 -21.5 39.3 19.0 50.9 121 121 A G H 34 S+ 0 0 22 1,-0.2 -1,-0.3 2,-0.2 -75,-0.1 0.579 91.4 58.9 -69.3 -8.0 42.6 18.1 49.2 122 122 A L H <4 S+ 0 0 17 -3,-1.8 3,-0.4 2,-0.2 -1,-0.2 0.839 109.5 41.0 -87.6 -34.0 41.9 21.3 47.2 123 123 A L H < S+ 0 0 36 -4,-0.6 -2,-0.2 -3,-0.2 -3,-0.1 0.964 119.9 46.0 -72.6 -46.7 41.9 23.3 50.4 124 124 A T S X S+ 0 0 35 -4,-3.2 4,-1.0 1,-0.2 -1,-0.2 0.298 78.6 104.5 -81.8 8.0 44.8 21.4 51.8 125 125 A Y H > S+ 0 0 14 -3,-0.4 4,-2.1 1,-0.2 3,-0.5 0.903 74.6 60.2 -50.2 -49.5 47.0 21.4 48.7 126 126 A P H > S+ 0 0 5 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.903 98.4 51.8 -58.4 -44.2 49.3 24.1 50.3 127 127 A P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -2,-0.2 0.851 110.8 51.3 -60.8 -30.4 50.6 22.3 53.4 128 128 A L H X S+ 0 0 20 -4,-1.0 4,-2.6 -3,-0.5 5,-0.1 0.960 110.0 47.5 -72.2 -45.2 51.6 19.4 51.1 129 129 A M H X S+ 0 0 19 -4,-2.1 4,-2.0 2,-0.2 5,-0.2 0.906 110.3 54.4 -59.6 -39.8 53.5 21.7 48.8 130 130 A A H X S+ 0 0 0 -4,-2.9 4,-3.2 1,-0.2 5,-0.3 0.933 109.1 48.2 -58.9 -43.6 55.1 23.3 51.9 131 131 A A H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.957 106.1 56.6 -59.2 -51.0 56.3 19.8 52.9 132 132 A D H < S+ 0 0 5 -4,-2.6 4,-0.2 1,-0.2 -1,-0.2 0.874 118.4 34.7 -46.9 -45.5 57.6 19.1 49.5 133 133 A I H ><>S+ 0 0 2 -4,-2.0 3,-1.3 -5,-0.1 5,-1.0 0.939 117.7 47.0 -75.9 -57.7 59.8 22.1 49.8 134 134 A L H ><5S+ 0 0 1 -4,-3.2 3,-1.7 1,-0.2 36,-0.3 0.792 97.4 73.1 -63.6 -27.5 60.7 22.2 53.5 135 135 A L T 3<5S+ 0 0 2 -4,-2.7 -1,-0.2 -5,-0.3 179,-0.2 0.734 100.1 44.4 -57.1 -28.4 61.7 18.6 53.7 136 136 A Y T < 5S- 0 0 6 -3,-1.3 -1,-0.3 -4,-0.2 -2,-0.2 0.329 114.0-110.8-107.9 13.0 64.8 19.1 51.8 137 137 A N T < 5 - 0 0 59 -3,-1.7 -134,-0.3 1,-0.2 -3,-0.2 0.945 52.3-158.0 58.3 51.2 66.0 22.3 53.6 138 138 A T < - 0 0 0 -5,-1.0 -134,-0.2 32,-0.2 -1,-0.2 -0.342 30.1-179.8 -74.4 136.6 65.2 24.1 50.4 139 139 A D S S+ 0 0 48 -136,-2.7 34,-2.5 1,-0.3 2,-0.4 0.878 70.7 23.6 -97.7 -52.4 66.7 27.5 49.5 140 140 A I E -bd 4 173A 9 -137,-2.0 -135,-1.6 32,-0.2 -1,-0.3 -0.928 56.4-161.3-122.6 138.5 65.3 28.3 46.1 141 141 A V E - d 0 174A 2 32,-2.6 34,-2.2 -2,-0.4 2,-1.2 -0.889 13.8-153.8-119.0 98.6 62.0 27.1 44.4 142 142 A P + 0 0 5 0, 0.0 2,-0.3 0, 0.0 34,-0.2 -0.622 38.2 144.5 -75.2 97.6 62.2 27.7 40.7 143 143 A V - 0 0 9 -2,-1.2 -121,-0.1 -137,-0.1 32,-0.1 -0.931 52.3-100.4-132.2 161.5 58.5 28.1 39.7 144 144 A G > - 0 0 9 -2,-0.3 3,-0.9 32,-0.2 38,-0.1 -0.133 54.3 -90.9 -66.3 172.4 56.3 30.0 37.3 145 145 A E G > S+ 0 0 83 36,-1.1 3,-1.5 1,-0.2 4,-0.3 0.747 116.6 67.5 -60.4 -38.2 54.4 33.0 38.7 146 146 A D G 3 S+ 0 0 58 35,-0.4 4,-0.3 1,-0.2 3,-0.3 0.719 97.2 54.9 -56.3 -27.1 51.1 31.3 39.8 147 147 A Q G <> S+ 0 0 30 -3,-0.9 4,-1.4 1,-0.2 -1,-0.2 0.429 80.1 96.6 -89.9 -3.0 52.9 29.3 42.5 148 148 A K H X> S+ 0 0 93 -3,-1.5 4,-1.6 1,-0.2 3,-0.6 0.944 83.0 47.5 -50.2 -55.2 54.3 32.4 44.2 149 149 A Q H 3> S+ 0 0 33 -4,-0.3 4,-2.2 1,-0.3 -1,-0.2 0.847 107.4 55.0 -58.8 -42.9 51.6 32.7 46.8 150 150 A H H 3> S+ 0 0 5 -4,-0.3 4,-2.2 1,-0.2 -1,-0.3 0.859 107.3 53.4 -58.3 -37.5 51.8 29.1 47.8 151 151 A I H - 0 0 39 -3,-0.5 3,-1.7 3,-0.2 -3,-0.7 -0.672 62.9-159.3-166.2 99.1 41.7 33.0 26.0 189 189 A P T 3 S+ 0 0 22 0, 0.0 4,-0.1 0, 0.0 -3,-0.1 0.269 88.3 65.7 -76.7 18.2 44.6 35.4 26.8 190 190 A T T 3 S+ 0 0 100 2,-0.1 2,-0.3 -6,-0.0 47,-0.0 0.506 95.6 66.9-105.5 -15.3 43.3 36.3 30.2 191 191 A K S < S- 0 0 114 -3,-1.7 -6,-2.4 -6,-0.1 -3,-0.2 -0.808 89.3-113.0-108.9 146.9 43.8 32.8 31.5 192 192 A K B -F 184 0C 54 -2,-0.3 2,-0.7 -8,-0.3 -8,-0.3 -0.352 40.3 -93.3 -72.2 157.2 47.2 31.1 32.0 193 193 A M - 0 0 3 -10,-3.3 2,-0.4 -8,-0.1 -10,-0.1 -0.652 53.2-175.6 -74.2 114.7 48.2 28.2 29.9 194 194 A S > - 0 0 23 -2,-0.7 3,-1.4 1,-0.1 8,-0.1 -0.967 29.5-145.3-123.2 127.8 47.1 25.3 32.0 195 195 A K T 3 S+ 0 0 21 -2,-0.4 -182,-0.3 1,-0.3 -1,-0.1 0.496 100.6 56.1 -68.4 -6.1 47.7 21.7 31.1 196 196 A S T 3 S+ 0 0 60 -184,-0.1 -1,-0.3 3,-0.0 -184,-0.0 0.029 74.6 139.5-111.4 17.5 44.4 20.6 32.6 197 197 A D < - 0 0 28 -3,-1.4 6,-0.1 1,-0.2 5,-0.1 -0.503 56.2-138.2 -65.7 128.4 42.3 22.9 30.5 198 198 A P S S+ 0 0 125 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.875 94.3 69.7 -53.8 -37.3 39.2 21.2 29.4 199 199 A N S > S- 0 0 61 1,-0.2 3,-3.1 2,-0.0 4,-0.3 -0.737 71.0-160.9 -90.2 102.0 39.8 22.9 26.0 200 200 A P G > S+ 0 0 66 0, 0.0 3,-1.1 0, 0.0 -1,-0.2 0.731 88.2 70.0 -54.1 -22.1 42.9 21.2 24.3 201 201 A K G 3 S+ 0 0 97 1,-0.2 -15,-0.2 -3,-0.1 -2,-0.0 0.654 83.4 74.5 -71.7 -9.9 43.2 24.2 22.1 202 202 A A G < S+ 0 0 0 -3,-3.1 -16,-2.1 -16,-0.2 2,-0.3 0.754 104.2 23.9 -71.7 -24.5 44.3 26.2 25.1 203 203 A Y < - 0 0 39 -3,-1.1 2,-0.5 -4,-0.3 -18,-0.1 -0.902 63.7-135.4-139.8 165.0 47.7 24.7 25.3 204 204 A I - 0 0 0 -2,-0.3 -188,-2.3 12,-0.0 -187,-0.4 -0.990 30.4-144.8-121.8 126.0 50.4 23.0 23.2 205 205 A T B > -E 15 0B 10 -2,-0.5 3,-1.7 -190,-0.3 -190,-0.3 -0.619 23.9-113.3 -92.2 157.4 51.9 20.1 25.0 206 206 A L T 3 S+ 0 0 0 -192,-2.7 -191,-0.1 1,-0.3 78,-0.1 0.636 119.3 49.9 -60.8 -12.4 55.5 19.0 24.7 207 207 A L T 3 S+ 0 0 38 -193,-0.3 -1,-0.3 76,-0.0 -192,-0.1 0.396 79.9 122.9-107.7 -1.2 54.2 15.9 22.9 208 208 A D < - 0 0 24 -3,-1.7 2,-0.1 1,-0.1 72,-0.0 -0.311 59.3-122.4 -62.3 142.6 51.9 17.5 20.3 209 209 A D > - 0 0 85 1,-0.1 4,-2.6 4,-0.0 5,-0.2 -0.271 25.2-100.1 -87.7 170.2 52.7 16.7 16.6 210 210 A A H > S+ 0 0 41 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.962 122.2 49.5 -56.5 -51.7 53.5 19.1 13.8 211 211 A K H > S+ 0 0 145 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.912 113.8 46.7 -49.0 -54.2 50.0 19.0 12.3 212 212 A T H > S+ 0 0 43 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.880 111.2 49.9 -61.1 -43.8 48.4 19.7 15.8 213 213 A I H X S+ 0 0 1 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.926 107.7 55.3 -60.9 -42.3 50.8 22.5 16.7 214 214 A E H X S+ 0 0 94 -4,-2.7 4,-2.2 -5,-0.2 -2,-0.2 0.857 111.7 44.7 -57.2 -42.0 50.0 24.1 13.3 215 215 A K H X S+ 0 0 134 -4,-1.7 4,-3.3 2,-0.2 -1,-0.2 0.885 112.5 47.9 -70.3 -48.9 46.2 24.1 14.1 216 216 A K H X S+ 0 0 21 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.915 116.1 45.7 -63.6 -38.8 46.4 25.3 17.7 217 217 A I H >< S+ 0 0 2 -4,-2.7 3,-0.7 -5,-0.2 -2,-0.2 0.980 114.9 47.2 -64.3 -52.6 48.7 28.1 16.6 218 218 A K H 3< S+ 0 0 137 -4,-2.2 -2,-0.2 -5,-0.3 -3,-0.2 0.928 114.0 47.9 -53.1 -47.2 46.4 28.9 13.6 219 219 A S H 3< S+ 0 0 63 -4,-3.3 -1,-0.3 -5,-0.1 -2,-0.2 0.756 84.8 128.2 -65.5 -27.1 43.4 28.8 15.8 220 220 A A S << S- 0 0 5 -4,-1.6 2,-0.7 -3,-0.7 -33,-0.2 0.083 70.4-107.5 -37.6 133.1 45.0 31.1 18.4 221 221 A V + 0 0 71 -35,-2.4 -1,-0.2 1,-0.1 -2,-0.1 -0.528 55.9 151.7 -70.2 106.1 43.0 34.1 19.4 222 222 A T - 0 0 37 -2,-0.7 15,-0.4 1,-0.2 2,-0.2 0.528 35.4-115.5 -99.6-116.1 44.5 37.2 17.9 223 223 A D - 0 0 48 14,-0.1 -1,-0.2 13,-0.1 12,-0.1 -0.789 25.1 -87.4-164.9-155.3 42.7 40.4 16.9 224 224 A S S S+ 0 0 121 -2,-0.2 -1,-0.0 1,-0.1 -2,-0.0 0.711 97.9 79.6-108.1 -30.9 41.7 42.6 13.9 225 225 A E S S- 0 0 101 1,-0.1 3,-0.1 2,-0.1 -1,-0.1 0.576 78.0-146.2 -58.2 -10.2 44.6 45.1 13.3 226 226 A G + 0 0 35 1,-0.2 2,-0.6 38,-0.0 -1,-0.1 0.799 56.3 137.3 44.5 27.7 46.6 42.4 11.5 227 227 A T - 0 0 61 37,-0.1 2,-2.1 2,-0.1 -1,-0.2 -0.921 53.5-146.9-108.9 112.8 49.5 44.3 13.2 228 228 A I + 0 0 6 -2,-0.6 2,-0.3 35,-0.5 32,-0.2 -0.454 52.8 125.3 -81.2 72.3 52.2 42.3 14.7 229 229 A R - 0 0 105 -2,-2.1 2,-0.6 2,-0.1 -2,-0.1 -0.922 62.5-103.7-129.2 155.1 53.1 44.5 17.6 230 230 A Y + 0 0 52 -2,-0.3 2,-0.3 9,-0.1 -2,-0.1 -0.695 49.1 143.9 -85.3 118.8 53.3 44.0 21.4 231 231 A D > - 0 0 44 -2,-0.6 4,-1.7 4,-0.4 8,-0.4 -0.859 28.4-164.4-152.3 108.8 50.5 45.3 23.7 232 232 A K T 4 S+ 0 0 143 -2,-0.3 -1,-0.1 1,-0.2 8,-0.1 0.805 93.0 33.3 -64.9 -34.2 49.4 43.3 26.8 233 233 A E T 4 S+ 0 0 179 2,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.821 127.2 37.9 -90.8 -36.7 46.0 45.2 27.3 234 234 A A T 4 S+ 0 0 53 1,-0.2 -2,-0.2 2,-0.1 3,-0.1 0.945 133.5 17.4 -80.5 -55.8 45.2 45.9 23.7 235 235 A K X + 0 0 0 -4,-1.7 4,-3.0 1,-0.1 -4,-0.4 -0.550 68.3 162.4-118.5 64.3 46.3 42.7 21.9 236 236 A P H > S+ 0 0 45 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.839 77.9 51.3 -55.4 -33.0 46.7 40.1 24.7 237 237 A G H > S+ 0 0 3 -15,-0.4 4,-2.1 2,-0.2 3,-0.4 0.998 112.9 40.3 -63.6 -74.1 46.6 37.3 22.1 238 238 A I H > S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.802 113.3 57.3 -44.7 -38.7 49.3 38.6 19.8 239 239 A S H >X S+ 0 0 2 -4,-3.0 4,-2.0 -8,-0.4 3,-0.7 0.980 108.0 46.4 -56.9 -57.0 51.4 39.7 22.8 240 240 A N H 3X S+ 0 0 9 -4,-2.0 4,-2.1 -3,-0.4 -2,-0.2 0.881 111.5 50.4 -51.6 -48.7 51.4 36.2 24.2 241 241 A L H 3X S+ 0 0 4 -4,-2.1 4,-1.7 1,-0.2 -1,-0.3 0.775 107.4 56.4 -62.1 -29.2 52.3 34.6 20.8 242 242 A L H X S+ 0 0 9 -4,-3.7 4,-3.3 2,-0.2 3,-1.1 0.991 116.7 42.0 -53.9 -76.8 60.8 35.4 21.5 247 247 A T H 3< S+ 0 0 25 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.789 121.1 44.4 -44.0 -37.2 61.7 33.1 24.4 248 248 A L H 3< S+ 0 0 26 -4,-2.1 -1,-0.3 -5,-0.5 -2,-0.2 0.793 120.9 36.3 -80.7 -32.7 61.7 30.1 22.1 249 249 A S H << S- 0 0 40 -4,-2.0 -2,-0.2 -3,-1.1 -3,-0.2 0.781 101.1-120.7 -91.4 -35.8 63.6 31.6 19.1 250 250 A G S < S+ 0 0 68 -4,-3.3 -4,-0.1 1,-0.4 -3,-0.1 -0.116 73.6 117.3 116.0 -32.8 66.1 33.8 20.9 251 251 A Q - 0 0 65 -6,-0.3 -1,-0.4 -5,-0.2 -2,-0.2 -0.265 65.2-113.3 -68.0 150.4 65.0 37.1 19.3 252 252 A S > - 0 0 44 1,-0.1 4,-1.1 -3,-0.1 5,-0.2 -0.292 30.4-103.9 -77.1 167.9 63.5 40.0 21.3 253 253 A I H > S+ 0 0 29 1,-0.2 4,-2.7 2,-0.2 3,-0.4 0.935 123.9 52.5 -58.5 -38.2 60.0 41.2 21.0 254 254 A E H > S+ 0 0 111 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.902 103.4 50.4 -63.9 -51.6 61.4 44.1 19.0 255 255 A E H > S+ 0 0 109 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.686 117.4 45.7 -62.3 -18.1 63.5 42.1 16.4 256 256 A L H X S+ 0 0 0 -4,-1.1 4,-1.2 -3,-0.4 -2,-0.2 0.836 108.3 52.4 -90.9 -41.4 60.2 40.2 15.9 257 257 A E H < S+ 0 0 42 -4,-2.7 3,-0.3 -5,-0.2 -2,-0.2 0.918 115.9 45.4 -58.1 -40.6 57.9 43.3 15.7 258 258 A R H < S+ 0 0 196 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.994 107.2 54.1 -63.8 -65.9 60.4 44.5 13.1 259 259 A Q H < S+ 0 0 87 -4,-1.6 2,-0.5 1,-0.2 -1,-0.2 0.644 109.2 54.4 -43.0 -23.5 60.6 41.2 11.1 260 260 A Y S < S+ 0 0 9 -4,-1.2 2,-0.4 -3,-0.3 -32,-0.3 -0.774 73.9 131.0-120.6 80.0 56.8 41.3 10.8 261 261 A E S S+ 0 0 154 -2,-0.5 3,-0.1 1,-0.1 -34,-0.1 -0.988 83.5 4.4-137.9 117.9 55.9 44.7 9.3 262 262 A G S S+ 0 0 95 1,-0.4 2,-0.4 -2,-0.4 -1,-0.1 0.648 115.6 113.1 74.7 9.7 53.5 44.9 6.4 263 263 A K - 0 0 112 -37,-0.1 -35,-0.5 -35,-0.0 -1,-0.4 -0.903 60.2-141.6-113.0 141.2 53.5 41.2 7.2 264 264 A G >> - 0 0 32 -2,-0.4 4,-2.0 -3,-0.1 3,-0.9 -0.585 24.3 -95.8-108.1 169.8 50.3 39.6 8.6 265 265 A Y H 3> S+ 0 0 25 1,-0.2 4,-2.0 -2,-0.2 5,-0.3 0.847 110.8 65.2 -43.0 -50.9 49.1 37.0 11.1 266 266 A G H 3> S+ 0 0 52 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.831 112.2 33.9 -47.4 -45.6 48.8 34.1 8.7 267 267 A V H <> S+ 0 0 68 -3,-0.9 4,-1.9 2,-0.2 -1,-0.2 0.864 113.7 58.6 -79.6 -40.5 52.5 33.9 8.0 268 268 A F H X S+ 0 0 1 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.771 111.7 44.3 -57.7 -28.6 53.5 35.0 11.6 269 269 A K H X S+ 0 0 17 -4,-2.0 4,-2.6 -5,-0.2 -1,-0.2 0.862 106.9 54.8 -85.9 -45.8 51.6 32.0 12.8 270 270 A A H X S+ 0 0 58 -4,-1.4 4,-1.2 -5,-0.3 -2,-0.2 0.845 112.7 47.2 -59.6 -27.4 52.9 29.4 10.3 271 271 A D H X S+ 0 0 57 -4,-1.9 4,-2.1 2,-0.2 3,-0.2 0.935 108.9 52.0 -77.9 -49.3 56.4 30.5 11.4 272 272 A L H X S+ 0 0 1 -4,-1.5 4,-2.5 1,-0.2 5,-0.3 0.887 105.7 57.0 -50.8 -40.8 55.6 30.3 15.1 273 273 A A H X S+ 0 0 2 -4,-2.6 4,-3.4 1,-0.2 -1,-0.2 0.944 108.8 45.4 -61.0 -41.0 54.3 26.8 14.5 274 274 A Q H X S+ 0 0 80 -4,-1.2 4,-2.6 -3,-0.2 -2,-0.2 0.804 110.4 53.5 -72.6 -28.1 57.7 25.8 13.0 275 275 A V H X S+ 0 0 28 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.934 115.0 40.3 -67.0 -49.5 59.6 27.4 15.9 276 276 A V H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 5,-0.2 0.957 115.4 52.9 -66.4 -47.0 57.6 25.4 18.4 277 277 A I H X S+ 0 0 15 -4,-3.4 4,-1.0 -5,-0.3 -2,-0.2 0.952 112.8 42.8 -49.8 -58.0 57.8 22.3 16.2 278 278 A E H >< S+ 0 0 104 -4,-2.6 3,-0.7 1,-0.2 -1,-0.2 0.910 110.6 56.7 -59.1 -44.7 61.6 22.5 15.9 279 279 A T H 3X S+ 0 0 33 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.918 113.1 40.4 -48.7 -50.0 62.0 23.3 19.7 280 280 A L H 3X S+ 0 0 2 -4,-2.1 4,-2.6 1,-0.2 5,-0.3 0.559 94.5 86.6 -79.0 -13.4 60.1 20.1 20.6 281 281 A R H S+ 0 0 54 0, 0.0 4,-2.3 0, 0.0 5,-0.3 0.903 116.8 55.2 -68.7 -41.8 64.8 16.8 19.9 283 283 A I H X S+ 0 0 4 -4,-0.6 4,-2.8 1,-0.2 -2,-0.2 0.930 109.0 46.4 -53.0 -48.6 62.8 16.6 23.1 284 284 A Q H X S+ 0 0 41 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.785 110.0 53.0 -69.7 -33.9 60.3 14.3 21.6 285 285 A E H X S+ 0 0 145 -4,-1.3 4,-1.3 -5,-0.3 -1,-0.2 0.897 112.3 43.7 -69.7 -41.4 62.9 12.0 20.1 286 286 A R H X S+ 0 0 111 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.919 109.7 60.1 -68.0 -40.3 64.7 11.6 23.4 287 287 A Y H X S+ 0 0 10 -4,-2.8 4,-1.2 -5,-0.3 -2,-0.2 0.935 102.7 50.4 -51.6 -50.4 61.3 11.1 25.1 288 288 A H H >X S+ 0 0 96 -4,-2.2 4,-0.8 1,-0.2 3,-0.5 0.886 107.2 54.3 -57.7 -39.4 60.6 8.1 22.9 289 289 A H H >< S+ 0 0 110 -4,-1.3 3,-0.9 1,-0.2 -1,-0.2 0.952 109.8 47.4 -58.1 -49.9 63.9 6.5 23.8 290 290 A W H 3< S+ 0 0 43 -4,-2.2 3,-0.4 1,-0.2 6,-0.3 0.637 107.7 56.6 -64.3 -21.2 63.1 6.9 27.6 291 291 A M H << S+ 0 0 40 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.625 103.3 53.5 -86.7 -19.5 59.6 5.4 27.2 292 292 A E S << S+ 0 0 148 -3,-0.9 2,-0.3 -4,-0.8 -1,-0.2 0.175 102.1 67.7-103.6 20.9 60.8 2.2 25.6 293 293 A S S > S- 0 0 26 -3,-0.4 3,-1.0 1,-0.0 4,-0.3 -0.986 73.6-130.1-144.0 151.8 63.3 1.1 28.2 294 294 A E T 3> S+ 0 0 114 -2,-0.3 4,-1.4 1,-0.2 3,-0.2 0.497 92.3 90.1 -71.0 -4.1 63.5 -0.0 31.9 295 295 A E H 3> S+ 0 0 106 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.752 78.3 58.9 -66.0 -30.8 66.1 2.7 32.4 296 296 A L H <> S+ 0 0 0 -3,-1.0 4,-2.2 -6,-0.3 -1,-0.2 0.915 103.7 51.7 -66.0 -42.6 63.6 5.3 33.4 297 297 A D H > S+ 0 0 41 -4,-0.3 4,-2.7 1,-0.2 -2,-0.2 0.866 108.0 51.2 -62.7 -41.3 62.4 3.1 36.3 298 298 A R H X S+ 0 0 107 -4,-1.4 4,-2.2 2,-0.2 5,-0.3 0.895 107.8 53.4 -62.6 -42.3 65.9 2.6 37.6 299 299 A V H X S+ 0 0 17 -4,-1.8 4,-2.1 1,-0.2 3,-0.3 0.972 112.2 44.5 -54.5 -53.3 66.4 6.4 37.5 300 300 A L H X S+ 0 0 7 -4,-2.2 4,-2.9 1,-0.3 5,-0.3 0.858 109.0 55.7 -65.5 -39.1 63.2 6.8 39.6 301 301 A D H X S+ 0 0 71 -4,-2.7 4,-2.0 2,-0.2 -1,-0.3 0.933 112.3 42.6 -55.9 -48.5 64.0 4.1 42.1 302 302 A E H X S+ 0 0 128 -4,-2.2 4,-1.9 -3,-0.3 -2,-0.2 0.866 111.9 55.8 -73.1 -25.1 67.4 5.8 42.9 303 303 A G H X S+ 0 0 6 -4,-2.1 4,-2.4 -5,-0.3 -2,-0.2 0.931 110.1 43.5 -70.7 -46.4 65.7 9.1 43.0 304 304 A A H X S+ 0 0 8 -4,-2.9 4,-3.0 1,-0.2 -1,-0.2 0.880 110.5 56.9 -64.9 -37.2 63.2 7.9 45.6 305 305 A E H X S+ 0 0 124 -4,-2.0 4,-1.4 -5,-0.3 -1,-0.2 0.930 111.6 42.4 -57.4 -48.6 65.9 6.2 47.6 306 306 A K H X S+ 0 0 71 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.894 115.1 48.1 -67.4 -45.4 67.8 9.4 47.8 307 307 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.4 0.874 108.1 57.7 -61.3 -38.1 64.7 11.6 48.6 308 308 A N H X S+ 0 0 49 -4,-3.0 4,-2.2 1,-0.2 5,-0.3 0.887 106.0 48.5 -63.3 -38.9 63.7 9.0 51.3 309 309 A R H X S+ 0 0 137 -4,-1.4 4,-0.9 2,-0.2 -1,-0.2 0.870 117.1 40.8 -68.0 -40.8 67.0 9.4 53.2 310 310 A V H X S+ 0 0 44 -4,-1.5 4,-1.2 2,-0.2 -2,-0.2 0.955 122.2 38.6 -73.5 -50.3 66.9 13.1 53.3 311 311 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.812 111.6 56.0 -69.6 -41.9 63.2 13.6 53.9 312 312 A S H X S+ 0 0 56 -4,-2.2 4,-1.9 -5,-0.4 -1,-0.2 0.885 106.9 52.9 -62.4 -30.5 62.7 10.7 56.4 313 313 A E H X S+ 0 0 65 -4,-0.9 4,-1.8 -5,-0.3 -2,-0.2 0.899 108.8 49.7 -70.7 -33.3 65.5 12.3 58.5 314 314 A M H X S+ 0 0 4 -4,-1.2 4,-2.6 1,-0.2 5,-0.2 0.910 107.6 52.3 -75.1 -38.5 63.6 15.6 58.5 315 315 A V H X S+ 0 0 2 -4,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.909 107.1 54.3 -61.3 -40.0 60.3 14.0 59.6 316 316 A R H X S+ 0 0 64 -4,-1.9 4,-2.9 1,-0.2 -2,-0.2 0.960 111.2 45.6 -58.2 -44.9 62.3 12.4 62.5 317 317 A K H X S+ 0 0 80 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.849 112.8 48.7 -65.5 -45.4 63.4 15.9 63.5 318 318 A M H X S+ 0 0 1 -4,-2.6 4,-1.8 2,-0.2 6,-0.2 0.884 112.3 49.6 -62.4 -43.4 60.0 17.4 63.1 319 319 A E H >X>S+ 0 0 28 -4,-3.0 4,-2.1 -5,-0.2 5,-1.8 0.976 109.9 51.0 -60.3 -50.1 58.5 14.6 65.1 320 320 A Q H 3<5S+ 0 0 83 -4,-2.9 3,-0.4 1,-0.2 -2,-0.2 0.945 111.7 48.5 -51.3 -47.5 61.2 15.2 67.8 321 321 A A H 3<5S+ 0 0 35 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.788 117.6 39.2 -63.9 -35.3 60.3 19.0 67.8 322 322 A M H <<5S- 0 0 47 -4,-1.8 -1,-0.2 -3,-0.5 -2,-0.2 0.591 112.4-117.6 -89.9 -17.1 56.6 18.4 68.2 323 323 A G T <5 + 0 0 60 -4,-2.1 -3,-0.2 -3,-0.4 -4,-0.1 0.627 57.5 156.2 89.0 18.6 57.0 15.5 70.5 324 324 A L < - 0 0 85 -5,-1.8 -1,-0.2 -6,-0.2 -2,-0.1 -0.373 54.4 -14.9 -75.1 157.1 55.4 12.9 68.3 325 325 A G S S- 0 0 66 2,-0.1 2,-0.3 -2,-0.0 0, 0.0 -0.174 100.8 -49.1 55.6-137.5 56.2 9.2 68.7 326 326 A R - 0 0 222 0, 0.0 2,-0.5 0, 0.0 -2,-0.1 -0.878 66.1 -69.9-132.4 166.7 59.2 8.2 70.8 327 327 A R 0 0 229 -2,-0.3 -2,-0.1 -4,-0.1 0, 0.0 -0.462 360.0 360.0 -63.4 110.6 62.9 9.1 71.1 328 328 A R 0 0 168 -2,-0.5 -8,-0.0 -12,-0.1 -1,-0.0 -0.692 360.0 360.0-128.9 360.0 64.8 7.8 68.0