==== 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 02-AUG-02 1MAU . COMPND 2 MOLECULE: TRYPTOPHAN-TRNA LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR P.RETAILLEAU,X.HUANG,Y.YIN,M.HU,V.WEINREB,P.VACHETTE,C.VONRH . 329 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15526.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 229 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.8 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 . 1 0.3 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 . 12 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 146 44.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.8 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 1 2 2 0 1 1 0 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 1 1 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 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 . 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 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 0 164 0, 0.0 32,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 171.2 77.2 23.8 47.5 2 2 A K - 0 0 121 30,-0.3 32,-2.7 1,-0.1 2,-0.4 -0.277 360.0-115.9 -77.6 164.2 73.5 24.9 47.8 3 3 A T E -a 34 0A 24 134,-0.3 137,-2.3 30,-0.2 136,-2.1 -0.854 21.8-164.6-108.7 140.0 70.5 22.7 47.3 4 4 A I E +ab 35 140A 0 30,-3.9 32,-2.3 -2,-0.4 2,-0.3 -0.928 7.1 178.6-120.2 143.2 67.8 22.9 44.7 5 5 A F E +a 36 0A 0 135,-1.6 2,-0.3 -2,-0.4 32,-0.2 -0.997 8.7 157.6-137.5 143.0 64.3 21.2 44.6 6 6 A S E -a 37 0A 2 30,-1.6 32,-2.7 -2,-0.3 2,-0.3 -0.945 16.3-160.6-163.9 139.6 61.5 21.5 42.0 7 7 A G E -a 38 0A 5 -2,-0.3 2,-0.4 30,-0.2 32,-0.2 -0.913 5.4-164.5-127.0 154.1 58.6 19.4 41.0 8 8 A I E -a 39 0A 11 30,-2.1 32,-2.1 -2,-0.3 35,-0.1 -0.992 26.5-120.6-134.3 135.5 56.2 19.0 38.0 9 9 A Q - 0 0 14 -2,-0.4 2,-1.5 30,-0.2 3,-0.3 -0.685 6.4-139.1 -83.4 139.9 52.9 17.1 38.1 10 10 A P + 0 0 0 0, 0.0 47,-0.2 0, 0.0 48,-0.2 -0.295 66.2 124.0 -85.2 49.4 52.3 14.2 35.8 11 11 A S S S- 0 0 16 -2,-1.5 2,-0.3 46,-0.1 43,-0.1 0.271 86.3 -30.8 -91.6 6.9 48.8 15.5 35.3 12 12 A G S S- 0 0 13 -3,-0.3 2,-0.5 42,-0.1 184,-0.1 -0.960 95.4 -46.4 167.9-168.3 49.3 15.6 31.5 13 13 A V - 0 0 27 182,-0.3 44,-0.0 -2,-0.3 48,-0.0 -0.795 68.6-106.5 -91.0 128.0 52.2 16.1 29.0 14 14 A I - 0 0 3 -2,-0.5 192,-2.4 191,-0.1 193,-0.3 -0.206 37.6-139.9 -55.7 148.0 54.3 19.1 30.0 15 15 A T B > -E 205 0B 0 190,-0.3 4,-2.1 191,-0.1 3,-0.3 -0.507 27.7 -99.7-107.8 173.3 54.0 22.2 27.8 16 16 A I H > S+ 0 0 1 188,-2.1 4,-2.8 1,-0.2 5,-0.2 0.768 124.8 59.9 -63.4 -22.8 56.3 24.8 26.4 17 17 A G H > S+ 0 0 14 187,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.909 105.5 45.9 -69.9 -41.3 55.1 26.9 29.3 18 18 A N H >>S+ 0 0 36 -3,-0.3 5,-1.9 2,-0.2 4,-1.3 0.848 115.8 48.0 -66.3 -38.6 56.5 24.3 31.8 19 19 A Y H <>S+ 0 0 38 -4,-2.1 5,-2.5 3,-0.2 6,-0.4 0.951 115.8 40.8 -67.0 -53.3 59.7 24.2 29.7 20 20 A I H <5S+ 0 0 0 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.902 120.4 44.1 -65.2 -41.0 60.3 27.9 29.4 21 21 A G H <5S- 0 0 6 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.734 137.6 -16.8 -77.8 -24.3 59.2 28.7 33.0 22 22 A A T >X5S+ 0 0 15 -4,-1.3 4,-1.5 -5,-0.2 3,-0.8 0.528 118.8 60.4-143.3 -66.8 61.1 25.9 34.8 23 23 A L H 3> S+ 0 0 28 -3,-0.8 4,-2.8 -6,-0.4 3,-0.3 0.828 99.8 66.2 -72.6 -26.4 66.5 26.2 33.8 26 26 A F H X S+ 0 0 0 -4,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.894 97.9 56.9 -55.7 -42.9 66.8 22.9 35.6 27 27 A V H < S+ 0 0 38 -4,-1.3 4,-0.3 -3,-0.3 -1,-0.2 0.876 112.0 39.4 -59.1 -40.2 69.3 21.8 32.9 28 28 A E H >< S+ 0 0 114 -4,-0.8 3,-1.0 -3,-0.3 4,-0.3 0.911 115.3 52.6 -75.7 -43.0 71.5 24.8 33.5 29 29 A L H >X S+ 0 0 15 -4,-2.8 4,-1.3 1,-0.2 3,-1.2 0.711 88.0 78.6 -66.8 -27.4 71.2 24.7 37.3 30 30 A Q T 3< S+ 0 0 6 -4,-1.8 -1,-0.2 1,-0.3 5,-0.2 0.744 93.1 52.1 -57.2 -25.9 72.1 21.0 37.8 31 31 A H T <4 S+ 0 0 110 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.679 113.1 41.2 -85.9 -19.3 75.9 21.8 37.4 32 32 A E T <4 S+ 0 0 141 -3,-1.2 -30,-0.3 -4,-0.3 2,-0.3 0.553 118.3 34.0-105.0 -7.9 76.1 24.5 40.0 33 33 A Y S < S- 0 0 42 -4,-1.3 2,-0.7 -32,-0.1 -30,-0.2 -0.922 82.4-100.2-140.2 167.4 73.9 23.0 42.7 34 34 A N E -a 3 0A 62 -32,-2.7 -30,-3.9 -2,-0.3 2,-0.4 -0.807 55.8-165.1 -87.6 115.3 72.8 19.8 44.4 35 35 A C E -ac 4 75A 2 -2,-0.7 41,-2.9 39,-0.6 2,-0.5 -0.895 28.5-170.7-117.1 142.5 69.4 19.2 42.7 36 36 A Y E -ac 5 76A 11 -32,-2.3 -30,-1.6 -2,-0.4 2,-0.5 -0.994 11.8-171.9-124.0 121.8 66.3 17.1 43.3 37 37 A F E -ac 6 77A 0 39,-3.0 41,-1.6 -2,-0.5 2,-0.3 -0.984 14.4-158.6-120.2 121.1 63.8 17.2 40.5 38 38 A C E -ac 7 78A 0 -32,-2.7 -30,-2.1 -2,-0.5 2,-0.8 -0.819 26.9-145.6-112.4 148.5 60.5 15.5 41.3 39 39 A I E -ac 8 79A 0 39,-2.2 41,-2.4 -2,-0.3 2,-1.6 -0.913 29.0-153.3-101.9 99.0 57.6 13.9 39.4 40 40 A V > + 0 0 0 -32,-2.1 4,-1.3 -2,-0.8 3,-0.5 -0.525 32.4 157.2 -83.9 76.9 54.8 14.9 41.8 41 41 A D H > S+ 0 0 19 -2,-1.6 4,-1.4 1,-0.2 -1,-0.2 0.759 72.2 59.7 -69.3 -26.7 52.2 12.2 41.4 42 42 A Q H 4 S+ 0 0 54 -3,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.805 106.6 47.6 -73.2 -24.7 50.6 12.8 44.8 43 43 A H H >4 S+ 0 0 0 -3,-0.5 3,-1.6 1,-0.2 -2,-0.2 0.833 104.7 62.2 -79.2 -33.4 49.9 16.4 43.8 44 44 A A H >< S+ 0 0 0 -4,-1.3 3,-1.3 1,-0.3 -2,-0.2 0.877 95.6 58.3 -61.1 -40.0 48.4 15.2 40.4 45 45 A I T 3< S+ 0 0 101 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.1 0.357 72.7 97.4 -75.2 8.2 45.6 13.2 42.1 46 46 A T T < S+ 0 0 11 -3,-1.6 76,-0.3 75,-0.1 2,-0.3 0.712 98.6 31.2 -67.2 -14.4 44.3 16.4 43.8 47 47 A V S < S- 0 0 61 -3,-1.3 71,-0.0 -4,-0.2 0, 0.0 -0.903 117.1 -70.1-131.9 161.6 42.0 16.2 40.8 48 48 A W + 0 0 206 -2,-0.3 2,-0.3 1,-0.0 -2,-0.1 -0.263 50.5 176.8 -54.5 136.6 40.7 13.2 38.9 49 49 A Q - 0 0 28 -4,-0.1 -38,-0.0 -3,-0.0 -4,-0.0 -0.986 35.0-118.3-139.1 128.9 43.3 11.3 36.8 50 50 A D > - 0 0 54 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.509 27.8-130.7 -65.3 132.6 42.5 8.2 34.8 51 51 A P H > S+ 0 0 81 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.899 105.5 47.0 -56.7 -44.1 44.8 5.5 36.4 52 52 A H H > S+ 0 0 130 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.913 114.2 48.9 -64.9 -41.2 46.1 4.2 33.1 53 53 A E H > S+ 0 0 102 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.860 110.8 50.6 -65.7 -36.2 46.8 7.8 32.0 54 54 A L H X S+ 0 0 24 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.950 108.8 50.0 -67.7 -46.9 48.5 8.7 35.2 55 55 A R H X S+ 0 0 197 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.899 115.8 44.4 -55.6 -44.3 50.9 5.7 35.1 56 56 A Q H X S+ 0 0 62 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.873 110.8 52.7 -69.7 -38.2 51.8 6.6 31.5 57 57 A N H X S+ 0 0 11 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.826 105.7 55.9 -69.8 -28.3 52.1 10.3 32.3 58 58 A I H X S+ 0 0 19 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.905 110.2 44.0 -67.7 -42.4 54.5 9.5 35.1 59 59 A R H X S+ 0 0 66 -4,-1.3 4,-2.2 1,-0.2 -2,-0.2 0.889 113.2 51.1 -71.2 -40.8 56.9 7.6 32.8 60 60 A R H X S+ 0 0 65 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.848 107.2 53.3 -64.1 -40.2 56.7 10.2 30.0 61 61 A L H X S+ 0 0 6 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.874 109.4 49.0 -63.1 -38.9 57.6 13.0 32.4 62 62 A A H X S+ 0 0 0 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.923 110.9 49.7 -65.9 -43.3 60.7 11.1 33.6 63 63 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.859 112.1 49.5 -63.4 -35.1 61.7 10.5 29.9 64 64 A L H X S+ 0 0 1 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.888 105.6 55.1 -73.0 -37.6 61.2 14.2 29.2 65 65 A Y H <>S+ 0 0 0 -4,-2.4 5,-1.8 1,-0.2 4,-0.4 0.951 117.1 37.9 -55.6 -50.0 63.3 15.3 32.2 66 66 A L H ><5S+ 0 0 8 -4,-2.0 3,-0.7 1,-0.2 -2,-0.2 0.835 111.6 59.1 -72.5 -34.6 66.1 13.2 30.9 67 67 A A H 3<5S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.816 101.6 54.0 -66.3 -33.3 65.4 14.0 27.3 68 68 A V T 3<5S- 0 0 14 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.646 132.0 -88.8 -78.3 -10.8 65.9 17.7 27.9 69 69 A G T < 5 + 0 0 32 -3,-0.7 2,-0.3 -4,-0.4 -3,-0.2 0.571 69.1 154.2 120.0 9.7 69.3 17.0 29.4 70 70 A I < - 0 0 5 -5,-1.8 -1,-0.3 -6,-0.2 -43,-0.1 -0.573 36.5-144.4 -69.2 124.6 69.0 16.4 33.1 71 71 A D >> - 0 0 58 -2,-0.3 3,-2.2 1,-0.1 4,-1.6 -0.865 4.6-149.7 -96.5 116.8 72.0 14.2 34.0 72 72 A P T 34 S+ 0 0 51 0, 0.0 5,-0.1 0, 0.0 -1,-0.1 0.625 97.6 57.9 -62.7 -12.4 71.1 11.6 36.6 73 73 A T T 34 S+ 0 0 109 1,-0.1 3,-0.1 3,-0.1 -3,-0.0 0.582 113.1 39.1 -90.4 -11.2 74.7 11.7 37.9 74 74 A Q T <4 S+ 0 0 90 -3,-2.2 -39,-0.6 1,-0.2 2,-0.3 0.555 125.7 26.2-110.0 -16.1 74.5 15.4 38.5 75 75 A A E < S-c 35 0A 5 -4,-1.6 2,-0.6 -41,-0.1 -1,-0.2 -0.982 75.4-115.7-145.8 158.2 70.9 15.5 39.9 76 76 A T E -c 36 0A 18 -41,-2.9 -39,-3.0 -2,-0.3 2,-0.5 -0.864 28.3-172.2 -99.5 120.0 68.4 13.2 41.6 77 77 A L E +c 37 0A 2 -2,-0.6 2,-0.3 222,-0.3 226,-0.3 -0.957 21.8 147.5-113.4 121.3 65.3 12.4 39.6 78 78 A F E -c 38 0A 0 -41,-1.6 -39,-2.2 -2,-0.5 2,-0.5 -0.958 47.5-103.6-152.1 166.8 62.5 10.6 41.4 79 79 A I E > -c 39 0A 11 -2,-0.3 3,-1.6 221,-0.3 4,-0.2 -0.862 27.5-135.6-100.1 126.6 58.8 10.0 41.8 80 80 A Q G > S+ 0 0 0 -41,-2.4 3,-1.9 -2,-0.5 6,-0.3 0.865 101.2 53.0 -44.4 -52.9 57.1 11.6 44.8 81 81 A S G 3 S+ 0 0 58 -42,-0.3 -1,-0.3 1,-0.3 -41,-0.1 0.652 96.6 67.4 -63.9 -18.6 55.0 8.6 45.9 82 82 A E G < S+ 0 0 83 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.483 95.0 63.8 -81.9 0.0 58.1 6.3 46.0 83 83 A V X - 0 0 0 -3,-1.9 3,-2.0 -4,-0.2 4,-0.5 -0.874 69.1-166.7-124.4 92.7 59.3 8.3 49.0 84 84 A P T >> S+ 0 0 76 0, 0.0 4,-1.9 0, 0.0 3,-0.5 0.737 78.0 78.2 -50.8 -26.9 56.9 7.9 51.8 85 85 A A H 3> S+ 0 0 1 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.745 83.3 63.2 -56.9 -29.3 58.5 10.8 53.7 86 86 A H H <> S+ 0 0 0 -3,-2.0 4,-1.8 -6,-0.3 -1,-0.2 0.957 107.8 41.0 -63.0 -47.2 56.6 13.3 51.5 87 87 A A H <> S+ 0 0 45 -3,-0.5 4,-1.7 -4,-0.5 -2,-0.2 0.853 115.3 52.8 -66.3 -36.7 53.3 12.1 52.8 88 88 A Q H X S+ 0 0 78 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.963 114.0 40.2 -66.0 -49.9 54.6 11.8 56.4 89 89 A A H X S+ 0 0 1 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.809 109.9 61.9 -70.6 -24.2 56.0 15.4 56.5 90 90 A A H X S+ 0 0 6 -4,-1.8 4,-2.1 -5,-0.3 -1,-0.2 0.917 104.7 47.2 -65.9 -41.5 52.9 16.6 54.6 91 91 A W H X S+ 0 0 161 -4,-1.7 4,-1.1 2,-0.2 -2,-0.2 0.951 111.6 49.9 -65.2 -45.4 50.7 15.4 57.5 92 92 A M H >< S+ 0 0 4 -4,-1.8 3,-0.5 1,-0.2 4,-0.3 0.912 113.5 47.0 -57.4 -45.0 52.9 17.1 60.1 93 93 A L H >X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 3,-1.2 0.825 105.4 57.3 -69.6 -32.4 52.9 20.3 58.1 94 94 A Q H 3< S+ 0 0 60 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.730 100.2 60.8 -74.1 -10.0 49.1 20.3 57.7 95 95 A C T << S+ 0 0 69 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.567 110.8 39.9 -87.1 -10.6 48.8 20.2 61.4 96 96 A I T <4 S+ 0 0 2 -3,-1.2 -2,-0.2 -4,-0.3 -1,-0.2 0.658 96.9 88.5-110.4 -18.3 50.6 23.5 61.6 97 97 A V S < S- 0 0 15 -4,-1.7 2,-0.3 1,-0.1 3,-0.0 -0.495 76.8-123.9 -78.3 146.7 49.0 25.4 58.7 98 98 A Y > - 0 0 126 -2,-0.2 4,-1.4 1,-0.1 3,-0.4 -0.684 11.3-127.7 -91.8 144.8 45.8 27.3 59.3 99 99 A I H > S+ 0 0 114 -2,-0.3 4,-2.7 1,-0.2 3,-0.3 0.903 110.4 55.5 -56.0 -42.6 42.7 26.6 57.3 100 100 A G H > S+ 0 0 27 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.854 103.3 55.1 -60.1 -36.8 42.3 30.3 56.5 101 101 A E H 4 S+ 0 0 17 -3,-0.4 -1,-0.2 1,-0.2 4,-0.2 0.867 111.6 44.8 -63.2 -36.5 45.9 30.3 55.0 102 102 A L H >< S+ 0 0 8 -4,-1.4 3,-1.4 -3,-0.3 -2,-0.2 0.907 110.1 53.7 -73.5 -43.6 44.8 27.5 52.8 103 103 A E H 3< S+ 0 0 103 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.757 104.7 56.9 -65.0 -21.8 41.5 29.0 51.8 104 104 A R T 3< S+ 0 0 154 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.520 75.4 117.4 -89.4 -5.4 43.3 32.2 50.7 105 105 A M <> - 0 0 12 -3,-1.4 4,-2.2 -4,-0.2 5,-0.2 -0.435 61.3-144.3 -64.2 130.6 45.6 30.5 48.2 106 106 A T H > S+ 0 0 65 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.889 98.7 57.5 -65.8 -36.6 44.8 31.9 44.7 107 107 A Q H > S+ 0 0 19 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.892 109.5 46.1 -58.8 -41.4 45.5 28.5 43.1 108 108 A F H > S+ 0 0 36 2,-0.2 4,-2.2 -6,-0.2 -2,-0.2 0.955 113.0 47.0 -66.6 -52.6 42.8 27.0 45.3 109 109 A K H < S+ 0 0 116 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.880 118.2 45.5 -56.3 -39.2 40.2 29.7 44.8 110 110 A E H >< S+ 0 0 132 -4,-2.7 3,-1.9 2,-0.2 -2,-0.2 0.991 116.4 40.5 -66.4 -65.5 40.9 29.5 41.0 111 111 A K H 3< S+ 0 0 65 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.697 121.1 45.5 -60.8 -20.4 40.9 25.7 40.6 112 112 A S T >< S+ 0 0 24 -4,-2.2 3,-1.7 -5,-0.2 2,-0.3 0.422 86.1 127.3-100.4 -0.6 37.9 25.4 42.9 113 113 A A T < S- 0 0 60 -3,-1.9 -3,-0.1 1,-0.3 -4,-0.0 -0.402 81.5 -0.6 -62.4 118.1 36.3 28.3 41.2 114 114 A G T 3 S+ 0 0 90 -2,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.536 97.9 129.8 82.4 9.7 32.7 27.3 40.1 115 115 A K < - 0 0 135 -3,-1.7 -1,-0.2 1,-0.1 3,-0.2 -0.794 45.7-157.8-102.4 138.7 32.8 23.8 41.4 116 116 A E S S+ 0 0 87 -2,-0.4 2,-0.5 1,-0.3 -1,-0.1 0.966 84.3 23.1 -74.2 -57.0 30.0 22.3 43.6 117 117 A A S S- 0 0 101 0, 0.0 2,-0.4 0, 0.0 -1,-0.3 -0.965 74.1-178.8-118.0 120.9 31.9 19.4 45.2 118 118 A V - 0 0 63 -2,-0.5 -71,-0.1 -3,-0.2 5,-0.1 -0.956 29.3-109.2-123.9 138.7 35.7 19.6 45.5 119 119 A S >> - 0 0 61 -2,-0.4 4,-0.7 -73,-0.2 3,-0.7 -0.204 22.1-127.3 -60.1 148.8 38.3 17.2 46.9 120 120 A A H >> S+ 0 0 72 1,-0.2 4,-2.4 2,-0.2 3,-0.6 0.840 106.9 70.6 -67.0 -31.8 40.1 18.1 50.1 121 121 A G H 3> S+ 0 0 22 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.833 91.0 60.5 -52.5 -34.1 43.4 17.4 48.4 122 122 A L H X4 S+ 0 0 10 -3,-0.7 3,-0.5 -76,-0.3 -1,-0.2 0.941 111.3 38.6 -59.8 -45.9 42.7 20.6 46.3 123 123 A L H << S+ 0 0 40 -4,-0.7 -2,-0.2 -3,-0.6 -1,-0.2 0.834 118.8 47.4 -72.6 -35.2 42.7 22.6 49.6 124 124 A T H 3X S+ 0 0 37 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.319 78.4 106.2 -96.3 13.1 45.5 20.7 51.3 125 125 A Y H XX S+ 0 0 3 -4,-0.7 4,-1.7 -3,-0.5 3,-0.7 0.886 70.3 63.3 -53.2 -48.6 47.9 20.8 48.3 126 126 A P H 3> S+ 0 0 8 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.858 97.0 51.6 -53.8 -44.7 50.2 23.5 49.8 127 127 A P H 3> S+ 0 0 0 0, 0.0 4,-1.7 0, 0.0 -2,-0.2 0.819 109.3 52.1 -66.3 -28.3 51.5 21.5 52.9 128 128 A L H <>S+ 0 0 0 -4,-1.9 3,-1.1 1,-0.2 5,-1.0 0.941 116.7 48.2 -73.1 -53.5 60.8 21.4 49.5 134 134 A L H ><5S+ 0 0 2 -4,-2.6 3,-1.5 1,-0.2 36,-0.3 0.748 94.6 73.1 -66.3 -27.5 61.7 21.3 53.2 135 135 A L T 3<5S+ 0 0 1 -4,-2.3 -1,-0.2 1,-0.3 179,-0.2 0.743 101.7 44.3 -58.3 -27.4 62.6 17.7 53.4 136 136 A Y T < 5S- 0 0 6 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.288 110.4-113.3-105.8 9.7 65.9 18.4 51.5 137 137 A N T < 5 - 0 0 63 -3,-1.5 -134,-0.3 1,-0.2 -3,-0.2 0.937 49.9-164.0 57.5 45.7 67.0 21.5 53.3 138 138 A T < - 0 0 2 -5,-1.0 -134,-0.2 32,-0.2 -1,-0.2 -0.385 26.4-177.1 -69.0 134.9 66.4 23.3 50.0 139 139 A D S S+ 0 0 47 -136,-2.1 34,-1.9 1,-0.3 2,-0.4 0.786 70.6 34.3 -94.6 -42.2 67.9 26.7 49.5 140 140 A I E -bd 4 173A 14 -137,-2.3 -135,-1.6 32,-0.2 -1,-0.3 -0.955 56.5-167.4-127.0 135.8 66.5 27.5 46.0 141 141 A V E - d 0 174A 0 32,-2.5 34,-2.3 -2,-0.4 2,-0.5 -0.892 15.2-152.9-124.9 98.1 63.2 26.7 44.3 142 142 A P E + d 0 175A 5 0, 0.0 2,-0.2 0, 0.0 34,-0.2 -0.634 38.1 131.3 -77.5 118.5 63.2 27.4 40.6 143 143 A V - 0 0 6 32,-2.0 2,-0.2 -2,-0.5 -2,-0.0 -0.785 53.1 -65.9-153.8 173.4 59.6 28.1 39.2 144 144 A G > - 0 0 10 32,-0.2 3,-2.2 -2,-0.2 4,-0.2 -0.220 41.2-122.0 102.1 75.7 57.2 29.3 37.9 145 145 A E G > S+ 0 0 75 36,-1.8 3,-1.3 1,-0.3 4,-0.3 0.786 111.0 62.9 -57.7 -28.1 55.6 32.7 38.8 146 146 A D G 3 S+ 0 0 54 35,-0.5 -1,-0.3 1,-0.2 4,-0.2 0.561 99.1 58.5 -71.8 -8.5 52.3 31.1 39.6 147 147 A Q G <> S+ 0 0 1 -3,-2.2 4,-1.8 1,-0.1 -1,-0.2 0.401 74.9 97.7-102.6 4.4 54.1 29.3 42.3 148 148 A K H <> S+ 0 0 83 -3,-1.3 4,-1.6 1,-0.2 -1,-0.1 0.903 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64.0-169.4-140.5 85.7 42.9 33.0 26.3 189 189 A P T 3 S+ 0 0 19 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.502 85.5 63.4 -54.4 -5.9 45.7 35.5 26.6 190 190 A T T 3 S+ 0 0 100 2,-0.1 2,-0.3 -6,-0.1 47,-0.0 0.527 99.5 60.8 -96.3 -6.8 44.5 36.5 30.1 191 191 A K S < S- 0 0 102 -3,-3.1 -6,-3.4 -6,-0.1 -3,-0.2 -0.908 89.1-110.4-118.7 148.9 45.1 33.0 31.6 192 192 A K B -F 184 0C 54 -2,-0.3 2,-0.4 -8,-0.3 -8,-0.3 -0.314 40.3 -95.3 -74.8 156.9 48.4 31.2 31.8 193 193 A M - 0 0 5 -10,-2.5 2,-0.4 -8,-0.1 -10,-0.1 -0.615 47.6-174.6 -72.8 129.9 49.1 28.1 29.7 194 194 A S > - 0 0 33 -2,-0.4 3,-1.9 1,-0.1 8,-0.1 -0.995 30.6-139.0-132.7 133.0 48.3 25.0 31.7 195 195 A K T 3 S+ 0 0 23 -2,-0.4 -182,-0.3 1,-0.3 8,-0.1 0.666 105.6 51.3 -65.1 -15.8 48.9 21.3 30.7 196 196 A S T 3 S+ 0 0 68 -184,-0.1 -1,-0.3 3,-0.0 -184,-0.0 0.256 74.4 136.8-104.4 10.7 45.5 20.3 32.1 197 197 A D < - 0 0 24 -3,-1.9 6,-0.1 1,-0.2 5,-0.1 -0.379 60.5-131.1 -57.8 129.4 43.4 23.0 30.3 198 198 A P S S+ 0 0 127 0, 0.0 -1,-0.2 0, 0.0 3,-0.0 0.712 96.0 70.3 -57.5 -18.1 40.3 21.3 29.0 199 199 A N S > S- 0 0 55 1,-0.1 3,-2.2 2,-0.0 4,-0.3 -0.890 70.0-160.3-105.6 107.4 41.0 22.9 25.6 200 200 A P G > S+ 0 0 67 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.681 88.8 69.5 -60.6 -17.2 44.1 21.3 24.0 201 201 A K G 3 S+ 0 0 98 1,-0.2 -15,-0.1 3,-0.1 18,-0.0 0.643 84.9 71.8 -73.1 -17.4 44.4 24.4 21.8 202 202 A A G < S+ 0 0 0 -3,-2.2 -16,-1.9 -16,-0.2 2,-0.3 0.778 105.2 27.8 -68.3 -29.5 45.4 26.3 24.8 203 203 A Y < - 0 0 37 -3,-0.7 2,-0.5 -4,-0.3 -18,-0.1 -0.907 64.6-135.6-133.3 162.2 48.9 24.7 25.1 204 204 A I - 0 0 0 -2,-0.3 -188,-2.1 12,-0.0 -187,-0.3 -0.976 26.6-148.0-116.8 122.1 51.6 23.1 23.1 205 205 A T B > -E 15 0B 12 -2,-0.5 3,-1.4 -190,-0.3 -190,-0.3 -0.492 24.7-116.1 -84.4 161.0 53.0 19.9 24.7 206 206 A L T 3 S+ 0 0 0 -192,-2.4 -191,-0.1 1,-0.3 -1,-0.1 0.619 117.3 53.6 -69.9 -11.9 56.6 18.9 24.3 207 207 A L T 3 S+ 0 0 38 -193,-0.3 -1,-0.3 2,-0.0 2,-0.1 0.319 77.6 124.5-104.9 6.7 55.3 15.8 22.5 208 208 A D < - 0 0 20 -3,-1.4 76,-0.1 1,-0.1 2,-0.1 -0.440 58.2-128.6 -67.9 140.4 53.1 17.6 19.9 209 209 A D > - 0 0 88 -2,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.306 29.0 -95.8 -83.1 171.9 53.9 16.7 16.3 210 210 A A H > S+ 0 0 44 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.903 121.7 49.6 -55.7 -49.2 54.6 19.3 13.6 211 211 A K H > S+ 0 0 150 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.893 112.3 49.2 -59.5 -41.3 51.1 19.5 12.1 212 212 A T H > S+ 0 0 44 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.876 110.1 50.1 -66.2 -38.4 49.6 19.9 15.6 213 213 A I H X S+ 0 0 2 -4,-2.1 4,-2.2 2,-0.2 5,-0.3 0.925 109.8 52.2 -68.6 -38.9 52.1 22.7 16.5 214 214 A E H X S+ 0 0 85 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.948 111.0 46.3 -59.5 -49.5 51.2 24.4 13.2 215 215 A K H X S+ 0 0 138 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.908 112.4 49.8 -58.9 -49.0 47.4 24.3 13.9 216 216 A K H < S+ 0 0 20 -4,-2.2 4,-0.2 2,-0.2 -1,-0.2 0.894 113.9 43.9 -61.4 -40.6 47.7 25.5 17.5 217 217 A I H >< S+ 0 0 1 -4,-2.2 3,-1.2 -5,-0.2 -1,-0.2 0.910 111.4 56.5 -71.1 -37.1 50.0 28.5 16.6 218 218 A K H 3< S+ 0 0 155 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.899 111.0 41.5 -59.5 -42.8 47.7 29.3 13.7 219 219 A S T 3< S+ 0 0 46 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.335 82.7 131.9 -91.0 7.3 44.6 29.5 15.8 220 220 A A < - 0 0 4 -3,-1.2 -33,-0.2 -4,-0.2 2,-0.2 -0.370 66.5-107.4 -58.8 134.8 46.3 31.4 18.6 221 221 A V + 0 0 66 -35,-3.2 -1,-0.1 1,-0.1 2,-0.1 -0.425 53.7 150.4 -69.3 135.8 44.2 34.4 19.6 222 222 A T - 0 0 41 -2,-0.2 15,-0.3 15,-0.1 2,-0.3 0.017 38.5 -90.3-130.5-124.0 45.5 37.9 18.5 223 223 A D - 0 0 43 12,-0.1 3,-0.3 13,-0.1 12,-0.1 -0.951 26.6-107.8-156.3 171.5 43.9 41.2 17.6 224 224 A S S S+ 0 0 131 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 0.341 95.6 89.0 -91.0 9.1 42.5 43.0 14.6 225 225 A E S S- 0 0 97 2,-0.1 -1,-0.2 1,-0.1 3,-0.1 0.932 73.5-151.7 -70.7 -49.4 45.4 45.5 14.5 226 226 A G + 0 0 35 -3,-0.3 2,-0.5 1,-0.2 39,-0.1 0.584 53.0 123.8 85.2 11.1 47.8 43.5 12.3 227 227 A T - 0 0 67 2,-0.1 2,-1.6 37,-0.1 -1,-0.2 -0.913 58.4-141.5-109.8 125.4 50.9 45.1 13.9 228 228 A I + 0 0 7 35,-0.6 2,-0.3 -2,-0.5 32,-0.2 -0.599 53.1 128.3 -85.8 83.8 53.6 42.9 15.5 229 229 A R - 0 0 88 -2,-1.6 2,-0.5 2,-0.1 -2,-0.1 -0.997 62.5-105.6-139.6 144.5 54.5 45.0 18.6 230 230 A Y + 0 0 84 -2,-0.3 2,-0.1 23,-0.1 -2,-0.0 -0.560 52.7 142.0 -73.7 117.5 54.8 44.2 22.3 231 231 A D B > -G 235 0D 44 4,-0.6 4,-3.8 -2,-0.5 8,-0.2 -0.631 26.2-170.8-156.1 83.9 51.9 45.6 24.3 232 232 A K T 4 S+ 0 0 129 1,-0.2 8,-0.1 2,-0.2 7,-0.1 0.760 88.1 40.8 -48.8 -34.5 50.8 43.3 27.1 233 233 A E T 4 S+ 0 0 177 2,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.885 127.4 28.8 -85.2 -42.3 47.7 45.3 27.9 234 234 A A T 4 S+ 0 0 53 1,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.824 135.2 27.0 -86.4 -39.4 46.5 46.2 24.4 235 235 A K B X +G 231 0D 2 -4,-3.8 4,-1.9 1,-0.1 -4,-0.6 -0.641 68.3 157.4-126.9 72.1 47.8 43.2 22.5 236 236 A P H > S+ 0 0 44 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.899 74.9 47.9 -66.9 -41.1 48.0 40.4 25.0 237 237 A G H > S+ 0 0 5 -15,-0.3 4,-2.2 1,-0.2 5,-0.2 0.950 115.8 43.8 -64.9 -48.8 47.9 37.5 22.4 238 238 A I H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.833 112.5 53.4 -66.2 -33.1 50.5 39.0 20.2 239 239 A S H X S+ 0 0 0 -4,-1.9 4,-2.1 -8,-0.2 -1,-0.2 0.871 109.1 48.5 -69.2 -39.0 52.7 39.9 23.2 240 240 A N H X S+ 0 0 12 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.933 112.1 48.7 -67.0 -44.2 52.7 36.4 24.5 241 241 A L H X S+ 0 0 2 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.912 111.0 50.7 -62.7 -39.6 53.5 35.0 21.1 242 242 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.896 109.5 52.3 -62.1 -41.0 56.4 37.5 20.8 243 243 A N H X S+ 0 0 24 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.896 110.3 46.2 -62.5 -43.9 57.6 36.4 24.2 244 244 A I H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 5,-0.2 0.926 113.1 49.8 -64.7 -45.6 57.6 32.7 23.2 245 245 A Y H X S+ 0 0 13 -4,-2.4 4,-1.9 -5,-0.2 6,-0.4 0.909 112.9 49.3 -58.4 -44.1 59.4 33.5 20.0 246 246 A S H X S+ 0 0 17 -4,-2.4 4,-2.3 1,-0.2 5,-0.4 0.940 112.0 42.7 -64.8 -52.9 62.0 35.6 21.8 247 247 A T H < S+ 0 0 22 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.776 119.6 45.8 -67.0 -27.2 62.9 33.1 24.6 248 248 A L H < S+ 0 0 27 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.778 119.8 37.2 -85.4 -30.3 63.1 30.2 22.2 249 249 A S H < S- 0 0 46 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.717 100.3-123.4 -93.6 -27.3 65.0 31.9 19.4 250 250 A G S < S+ 0 0 71 -4,-2.3 2,-0.3 1,-0.4 -3,-0.1 0.464 70.7 126.3 93.8 3.4 67.4 34.0 21.5 251 251 A Q - 0 0 59 -5,-0.4 -1,-0.4 -6,-0.4 -2,-0.2 -0.713 61.5-116.5 -94.6 146.0 66.2 37.2 19.8 252 252 A S > - 0 0 46 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.348 22.3-115.4 -77.4 159.7 65.0 40.2 21.7 253 253 A I H > S+ 0 0 34 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.896 119.7 56.0 -59.8 -38.1 61.4 41.5 21.5 254 254 A E H > S+ 0 0 141 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.923 106.9 47.9 -58.1 -49.2 62.9 44.6 20.0 255 255 A E H > S+ 0 0 100 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.868 112.7 48.0 -61.1 -40.7 64.7 42.6 17.3 256 256 A L H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.860 106.4 57.4 -71.6 -34.1 61.6 40.7 16.4 257 257 A E H < S+ 0 0 27 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.910 112.9 41.6 -59.4 -41.2 59.5 43.9 16.3 258 258 A R H >< S+ 0 0 131 -4,-1.7 3,-1.9 1,-0.2 -2,-0.2 0.948 111.0 53.6 -72.0 -50.4 61.9 45.2 13.6 259 259 A Q H 3< S+ 0 0 91 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.819 113.1 46.9 -53.7 -32.7 62.2 41.9 11.7 260 260 A Y T >< S+ 0 0 6 -4,-1.9 3,-1.0 -32,-0.2 -32,-0.5 -0.098 78.1 134.6-105.0 35.1 58.5 41.9 11.4 261 261 A E T < S+ 0 0 116 -3,-1.9 3,-0.1 1,-0.2 -3,-0.1 -0.715 75.8 20.1 -82.7 128.1 57.9 45.5 10.4 262 262 A G T 3 S+ 0 0 84 -2,-0.4 2,-0.3 1,-0.4 -1,-0.2 0.615 111.5 134.4 87.7 11.0 55.4 45.6 7.5 263 263 A K < - 0 0 102 -3,-1.0 -35,-0.6 1,-0.1 -1,-0.4 -0.764 52.0-110.9-126.1 168.4 54.0 42.2 8.3 264 264 A G > - 0 0 29 -2,-0.3 4,-2.5 -37,-0.2 3,-0.2 -0.421 14.0-142.3 129.7 68.0 51.9 40.1 8.8 265 265 A Y H > S+ 0 0 30 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.799 105.6 57.7 -58.4 -35.8 50.3 37.9 11.5 266 266 A G H > S+ 0 0 55 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.920 113.4 37.6 -62.6 -44.4 50.0 35.0 9.1 267 267 A V H > S+ 0 0 63 -3,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.849 114.8 54.1 -77.0 -35.6 53.7 34.9 8.4 268 268 A F H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.933 112.6 46.2 -63.2 -41.0 54.7 35.7 12.0 269 269 A K H X S+ 0 0 29 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.881 111.1 49.6 -68.8 -42.9 52.6 32.8 13.1 270 270 A A H X S+ 0 0 56 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.891 112.4 49.0 -64.7 -37.7 54.0 30.3 10.5 271 271 A D H X S+ 0 0 58 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.922 109.3 52.4 -66.4 -46.6 57.5 31.3 11.4 272 272 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 5,-0.2 0.909 104.5 55.5 -57.1 -44.8 56.8 30.8 15.1 273 273 A A H X S+ 0 0 3 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.925 108.8 48.2 -55.5 -44.5 55.4 27.3 14.6 274 274 A Q H X S+ 0 0 82 -4,-1.5 4,-2.9 1,-0.2 -1,-0.2 0.886 107.9 54.6 -65.0 -37.5 58.7 26.3 12.9 275 275 A V H X S+ 0 0 31 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.890 112.2 43.9 -61.8 -39.0 60.8 27.8 15.7 276 276 A V H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.901 113.2 51.1 -72.9 -42.8 58.8 25.7 18.2 277 277 A I H X S+ 0 0 23 -4,-2.7 4,-1.5 -5,-0.2 -2,-0.2 0.932 109.7 49.5 -57.7 -47.8 59.0 22.6 16.1 278 278 A E H < S+ 0 0 98 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.847 110.7 52.5 -63.7 -30.8 62.8 23.0 15.6 279 279 A T H X S+ 0 0 31 -4,-1.3 4,-0.6 -5,-0.2 -1,-0.2 0.897 113.0 41.4 -68.4 -45.1 63.2 23.4 19.4 280 280 A L H X S+ 0 0 2 -4,-2.0 4,-3.0 1,-0.2 5,-0.2 0.650 94.2 85.7 -79.2 -21.1 61.2 20.2 20.3 281 281 A R H X S+ 0 0 140 -4,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.927 94.1 38.0 -48.3 -58.6 62.8 18.0 17.6 282 282 A P H > S+ 0 0 40 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.876 116.1 55.1 -67.5 -32.8 65.9 16.9 19.4 283 283 A I H X S+ 0 0 5 -4,-0.6 4,-2.4 1,-0.2 -2,-0.2 0.941 107.8 48.2 -62.1 -48.1 64.0 16.6 22.7 284 284 A Q H X S+ 0 0 40 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.888 108.6 54.4 -61.8 -39.6 61.4 14.3 21.1 285 285 A E H X S+ 0 0 147 -4,-1.9 4,-1.4 -5,-0.2 -1,-0.2 0.931 111.8 43.1 -61.3 -45.7 64.1 12.1 19.6 286 286 A R H X S+ 0 0 108 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.882 108.2 61.2 -70.2 -31.4 65.8 11.6 22.9 287 287 A Y H X S+ 0 0 12 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.922 102.6 50.8 -58.2 -45.5 62.4 11.1 24.6 288 288 A H H X S+ 0 0 107 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.897 106.1 55.1 -63.3 -37.4 61.7 8.0 22.4 289 289 A H H >< S+ 0 0 104 -4,-1.4 3,-0.8 1,-0.2 -1,-0.2 0.947 111.2 44.6 -59.0 -48.5 65.0 6.5 23.3 290 290 A W H >< S+ 0 0 46 -4,-2.0 3,-1.4 1,-0.2 6,-0.4 0.868 106.4 59.5 -64.9 -39.2 64.2 6.7 27.0 291 291 A M H 3< S+ 0 0 51 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.732 107.2 48.2 -62.7 -22.1 60.7 5.4 26.6 292 292 A E T << S+ 0 0 156 -4,-1.0 2,-0.3 -3,-0.8 -1,-0.2 0.230 99.3 76.8-108.3 16.4 61.9 2.1 25.1 293 293 A S S X S- 0 0 22 -3,-1.4 3,-0.6 -4,-0.1 4,-0.4 -0.885 70.7-134.9-124.6 158.7 64.7 1.2 27.6 294 294 A E T 3> S+ 0 0 98 -2,-0.3 4,-1.6 1,-0.2 3,-0.5 0.611 97.1 83.9 -80.7 -12.7 64.8 -0.4 31.1 295 295 A E H 3> S+ 0 0 103 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.831 80.7 62.6 -57.9 -33.7 67.4 2.3 31.8 296 296 A L H <> S+ 0 0 0 -3,-0.6 4,-1.7 -6,-0.4 -1,-0.2 0.922 104.5 46.4 -59.2 -44.9 64.5 4.7 32.6 297 297 A D H > S+ 0 0 52 -3,-0.5 4,-2.4 -4,-0.4 -1,-0.2 0.872 109.9 53.5 -65.8 -37.3 63.4 2.5 35.5 298 298 A R H X S+ 0 0 145 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.887 106.9 51.5 -66.1 -38.5 66.9 2.1 36.8 299 299 A V H X S+ 0 0 13 -4,-2.2 4,-2.4 2,-0.2 -222,-0.3 0.924 112.4 46.3 -63.2 -45.4 67.4 5.9 37.0 300 300 A L H X S+ 0 0 7 -4,-1.7 4,-2.4 2,-0.2 -221,-0.3 0.887 111.4 51.4 -66.2 -38.8 64.2 6.3 38.9 301 301 A D H X S+ 0 0 93 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.914 113.5 45.6 -60.0 -46.5 65.1 3.4 41.3 302 302 A E H X S+ 0 0 118 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.882 112.7 50.4 -65.2 -41.0 68.4 5.1 41.9 303 303 A G H X S+ 0 0 7 -4,-2.4 4,-2.7 -226,-0.3 -2,-0.2 0.890 110.4 48.3 -67.2 -40.0 66.8 8.5 42.4 304 304 A A H X S+ 0 0 8 -4,-2.4 4,-3.1 2,-0.2 5,-0.2 0.871 108.8 55.3 -68.1 -35.5 64.2 7.2 44.9 305 305 A E H X S+ 0 0 126 -4,-1.8 4,-1.7 -5,-0.2 -2,-0.2 0.930 112.4 41.6 -62.4 -45.9 66.9 5.4 46.8 306 306 A K H X S+ 0 0 62 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.941 116.4 48.8 -66.6 -48.6 68.9 8.6 47.2 307 307 A A H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 5,-0.3 0.915 109.6 52.0 -59.0 -43.7 65.8 10.7 48.0 308 308 A N H X S+ 0 0 51 -4,-3.1 4,-2.2 1,-0.2 5,-0.3 0.900 105.9 56.4 -59.5 -42.0 64.5 8.3 50.6 309 309 A R H X S+ 0 0 146 -4,-1.7 4,-0.8 -5,-0.2 -1,-0.2 0.950 116.1 34.9 -55.0 -50.9 67.9 8.4 52.3 310 310 A V H X S+ 0 0 46 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.925 120.8 45.9 -70.4 -47.3 67.8 12.2 52.7 311 311 A A H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 5,-0.2 0.915 107.8 54.3 -65.7 -47.4 64.0 12.6 53.3 312 312 A S H X S+ 0 0 57 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.2 0.836 108.1 52.1 -59.3 -31.3 63.5 9.8 55.8 313 313 A E H X S+ 0 0 76 -4,-0.8 4,-2.1 -5,-0.3 -1,-0.2 0.896 109.1 48.8 -72.8 -38.0 66.2 11.3 58.0 314 314 A M H X S+ 0 0 6 -4,-1.6 4,-2.6 -179,-0.2 -2,-0.2 0.896 109.5 53.5 -66.6 -36.0 64.5 14.7 57.9 315 315 A V H X S+ 0 0 3 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.921 106.4 52.2 -64.3 -40.7 61.3 13.0 58.8 316 316 A R H X S+ 0 0 71 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.957 111.3 47.5 -57.7 -47.3 63.0 11.4 61.8 317 317 A K H X S+ 0 0 89 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.889 111.9 49.7 -61.1 -42.2 64.2 14.9 62.9 318 318 A M H X S+ 0 0 1 -4,-2.6 4,-2.1 2,-0.2 6,-0.2 0.923 110.9 48.6 -63.1 -47.0 60.7 16.3 62.4 319 319 A E H X>S+ 0 0 26 -4,-2.9 4,-1.9 1,-0.2 5,-1.8 0.920 110.5 52.3 -59.8 -42.3 59.1 13.6 64.5 320 320 A Q H <5S+ 0 0 72 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.913 109.9 47.7 -62.0 -43.3 61.7 14.1 67.2 321 321 A A H <5S+ 0 0 38 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.858 117.5 42.5 -67.0 -33.9 61.0 17.9 67.4 322 322 A M H <5S- 0 0 48 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.678 111.6-119.4 -84.9 -19.3 57.2 17.3 67.5 323 323 A G T <5 + 0 0 60 -4,-1.9 -3,-0.2 1,-0.2 -4,-0.1 0.572 57.9 153.8 90.6 11.7 57.5 14.4 70.0 324 324 A L < - 0 0 87 -5,-1.8 -1,-0.2 -6,-0.2 -2,-0.1 -0.343 55.0 -14.1 -69.0 158.1 55.9 11.8 67.6 325 325 A G S S- 0 0 68 2,-0.0 2,-0.3 -2,-0.0 3,-0.0 -0.205 103.4 -42.1 55.4-138.3 56.7 8.1 68.0 326 326 A R - 0 0 221 1,-0.0 -2,-0.1 2,-0.0 2,-0.1 -0.891 65.0 -81.0-128.3 158.0 59.7 7.0 70.2 327 327 A R 0 0 208 -2,-0.3 -2,-0.0 1,-0.1 -1,-0.0 -0.373 360.0 360.0 -56.9 128.9 63.2 8.2 70.7 328 328 A R 0 0 190 -12,-0.1 -1,-0.1 -2,-0.1 -8,-0.1 -0.612 360.0 360.0-117.5 360.0 65.3 6.7 67.9 329 ! 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 0.0 330 390 A X 0 0 29 0, 0.0 -322,-0.1 0, 0.0 -187,-0.1 0.000 360.0 360.0 360.0 360.0 53.7 23.1 42.0