==== 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 24-JUL-02 1M83 . 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 . 328 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15641.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 68.3 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 . 11 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 144 43.9 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 2 1 2 2 0 1 2 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 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 0 154 0, 0.0 32,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 172.1 76.8 23.9 47.3 2 2 A K - 0 0 121 30,-0.4 32,-2.5 1,-0.1 2,-0.4 -0.277 360.0-115.3 -75.9 166.6 73.3 25.1 47.8 3 3 A T E -a 34 0A 25 134,-0.3 137,-2.3 30,-0.2 136,-2.1 -0.865 22.6-163.4-111.8 144.5 70.3 22.8 47.3 4 4 A I E +ab 35 140A 0 30,-3.6 32,-2.4 -2,-0.4 2,-0.3 -0.944 6.9 179.9-125.0 142.0 67.4 23.0 44.7 5 5 A F E +a 36 0A 5 135,-1.4 2,-0.3 -2,-0.4 32,-0.2 -0.997 9.1 161.2-134.4 146.0 64.1 21.2 44.6 6 6 A S E -a 37 0A 4 30,-1.8 32,-2.9 -2,-0.3 2,-0.3 -0.932 16.4-156.6-163.9 135.5 61.3 21.5 42.0 7 7 A G E -a 38 0A 32 -2,-0.3 2,-0.4 30,-0.2 32,-0.2 -0.795 6.1-163.5-115.4 158.6 58.3 19.4 41.1 8 8 A I E -a 39 0A 13 30,-2.0 32,-2.3 -2,-0.3 36,-0.1 -0.995 25.7-124.9-135.2 133.4 56.2 18.9 38.0 9 9 A Q - 0 0 27 -2,-0.4 2,-1.4 30,-0.2 3,-0.2 -0.663 8.1-140.6 -79.6 135.4 52.7 17.2 38.2 10 10 A P + 0 0 0 0, 0.0 48,-0.2 0, 0.0 47,-0.1 -0.277 64.6 125.4 -88.1 52.0 52.2 14.3 35.8 11 11 A S S S- 0 0 14 -2,-1.4 2,-0.3 1,-0.1 43,-0.1 0.160 84.2 -28.1 -96.3 16.7 48.7 15.5 35.2 12 12 A G S S- 0 0 15 -3,-0.2 2,-0.4 42,-0.1 -1,-0.1 -0.887 97.4 -48.9 156.4-179.6 49.1 15.6 31.4 13 13 A V - 0 0 26 -2,-0.3 44,-0.0 182,-0.3 194,-0.0 -0.683 68.2-104.4 -83.0 127.8 52.0 16.1 29.1 14 14 A I - 0 0 3 -2,-0.4 192,-2.7 191,-0.1 193,-0.3 -0.186 38.1-142.5 -52.4 146.4 54.2 19.1 30.0 15 15 A T B > -E 205 0B 0 190,-0.3 4,-2.5 191,-0.1 190,-0.2 -0.427 28.3 -97.8-105.5 178.2 53.8 22.2 27.8 16 16 A I H > S+ 0 0 1 188,-1.7 4,-3.5 1,-0.2 5,-0.2 0.730 125.2 57.5 -69.7 -21.4 56.2 24.9 26.4 17 17 A G H > S+ 0 0 13 187,-0.2 4,-3.2 2,-0.2 5,-0.3 0.921 107.0 46.3 -70.4 -46.3 55.1 27.0 29.3 18 18 A N H >>S+ 0 0 39 2,-0.2 4,-1.8 1,-0.2 5,-1.6 0.928 117.6 46.3 -59.2 -45.5 56.2 24.3 31.7 19 19 A Y H <>S+ 0 0 32 -4,-2.5 5,-2.5 3,-0.2 6,-0.4 0.966 117.1 40.6 -60.3 -58.4 59.4 24.2 29.7 20 20 A I H <5S+ 0 0 0 -4,-3.5 -2,-0.2 1,-0.2 -3,-0.2 0.908 119.5 44.6 -62.5 -40.9 60.0 27.9 29.4 21 21 A G H <5S- 0 0 7 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.768 137.7 -17.7 -76.7 -26.3 59.0 28.7 33.0 22 22 A A T >X5S+ 0 0 16 -4,-1.8 4,-1.4 -5,-0.3 3,-1.2 0.527 118.8 61.1-142.6 -66.2 60.9 25.9 34.7 23 23 A L H 3> S+ 0 0 28 -3,-1.2 4,-2.4 -6,-0.4 3,-0.9 0.803 98.9 68.9 -75.4 -25.3 66.3 26.2 33.5 26 26 A F H 3X S+ 0 0 0 -4,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.827 92.0 62.5 -56.8 -37.5 66.7 22.9 35.5 27 27 A V H 3< S+ 0 0 37 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.822 112.4 33.4 -61.2 -33.4 69.2 21.8 32.8 28 28 A E H X4 S+ 0 0 113 -3,-0.9 3,-1.1 -4,-0.4 4,-0.3 0.793 114.4 58.3 -90.2 -38.2 71.7 24.6 33.6 29 29 A L H >X S+ 0 0 7 -4,-2.4 3,-1.7 1,-0.2 4,-1.2 0.836 90.7 72.5 -62.9 -33.2 71.0 24.7 37.3 30 30 A Q T 3< S+ 0 0 4 -4,-2.0 -1,-0.2 1,-0.3 5,-0.2 0.660 94.3 53.1 -56.2 -24.1 71.9 21.1 37.8 31 31 A H T <4 S+ 0 0 104 -3,-1.1 -1,-0.3 1,-0.1 -2,-0.2 0.609 115.1 39.0 -88.6 -14.8 75.6 21.8 37.3 32 32 A E T <4 S+ 0 0 135 -3,-1.7 -30,-0.4 -4,-0.3 2,-0.3 0.451 118.1 38.2-112.6 -8.3 75.7 24.6 39.9 33 33 A Y S < S- 0 0 35 -4,-1.2 2,-0.8 -32,-0.1 -30,-0.2 -0.911 82.7-103.9-137.5 167.7 73.5 23.1 42.7 34 34 A N E -a 3 0A 63 -32,-2.5 -30,-3.6 -2,-0.3 2,-0.4 -0.866 55.9-162.0 -90.3 108.4 72.5 19.9 44.4 35 35 A C E -ac 4 75A 2 -2,-0.8 41,-2.8 39,-0.6 2,-0.5 -0.852 28.7-171.2-108.0 142.1 69.2 19.3 42.7 36 36 A Y E -ac 5 76A 12 -32,-2.4 -30,-1.8 -2,-0.4 2,-0.5 -0.982 12.4-171.4-124.5 112.7 66.2 17.2 43.4 37 37 A F E -ac 6 77A 0 39,-3.0 41,-2.1 -2,-0.5 2,-0.4 -0.936 13.5-158.1-110.0 123.7 63.7 17.2 40.5 38 38 A C E -ac 7 78A 0 -32,-2.9 -30,-2.0 -2,-0.5 2,-0.8 -0.843 26.5-147.7-113.8 145.5 60.4 15.6 41.3 39 39 A I E -ac 8 79A 0 39,-2.9 41,-2.7 -2,-0.4 2,-1.6 -0.917 28.2-154.3-100.4 100.6 57.5 13.9 39.5 40 40 A V > + 0 0 5 -32,-2.3 4,-1.3 -2,-0.8 3,-0.4 -0.549 31.1 158.7 -86.8 76.9 54.7 14.9 41.8 41 41 A D H > S+ 0 0 17 -2,-1.6 4,-1.2 1,-0.2 -1,-0.2 0.800 72.7 57.8 -68.8 -26.6 52.1 12.2 41.3 42 42 A Q H 4 S+ 0 0 55 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.795 105.7 50.1 -74.8 -27.3 50.4 12.8 44.7 43 43 A H H >4 S+ 0 0 3 -3,-0.4 3,-1.5 1,-0.2 -1,-0.2 0.844 104.7 60.6 -73.2 -34.7 49.8 16.5 43.7 44 44 A A H >< S+ 0 0 0 -4,-1.3 3,-1.1 1,-0.3 -2,-0.2 0.824 95.6 59.7 -65.0 -32.1 48.3 15.3 40.4 45 45 A I T 3< S+ 0 0 103 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.1 0.387 71.8 97.1 -79.8 5.4 45.5 13.3 42.1 46 46 A T T < S+ 0 0 13 -3,-1.5 76,-0.4 75,-0.2 73,-0.3 0.754 98.3 30.5 -64.8 -16.0 44.1 16.4 43.8 47 47 A V S < S- 0 0 60 -3,-1.1 2,-0.1 -4,-0.2 71,-0.0 -0.859 118.3 -65.3-132.0 162.8 41.8 16.3 40.8 48 48 A W + 0 0 205 -2,-0.3 2,-0.4 1,-0.0 -2,-0.1 -0.323 52.1 179.4 -52.7 127.4 40.5 13.3 38.8 49 49 A Q - 0 0 30 -4,-0.1 -38,-0.0 -2,-0.1 -4,-0.0 -0.999 32.3-121.7-126.4 128.7 43.3 11.4 36.9 50 50 A D > - 0 0 56 -2,-0.4 4,-3.2 1,-0.1 5,-0.2 -0.551 25.6-131.0 -66.8 128.7 42.5 8.4 34.8 51 51 A P H > S+ 0 0 83 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.846 105.5 45.1 -53.3 -40.9 44.7 5.6 36.3 52 52 A H H > S+ 0 0 123 2,-0.2 4,-1.6 1,-0.2 5,-0.2 0.901 114.6 49.4 -70.6 -39.0 46.1 4.5 33.0 53 53 A E H > S+ 0 0 100 2,-0.2 4,-3.6 1,-0.2 5,-0.2 0.938 110.5 50.4 -63.0 -47.8 46.7 8.1 31.9 54 54 A L H X S+ 0 0 24 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.930 110.4 49.1 -57.1 -47.3 48.5 8.9 35.2 55 55 A R H X S+ 0 0 198 -4,-2.0 4,-1.3 -5,-0.2 -1,-0.2 0.842 116.3 43.2 -58.2 -40.9 50.8 5.9 35.0 56 56 A Q H X S+ 0 0 63 -4,-1.6 4,-3.0 2,-0.2 3,-0.2 0.942 112.5 51.8 -72.6 -47.2 51.7 6.8 31.4 57 57 A N H X S+ 0 0 11 -4,-3.6 4,-2.4 1,-0.2 -2,-0.2 0.802 106.7 55.2 -57.8 -36.0 52.0 10.4 32.2 58 58 A I H X S+ 0 0 19 -4,-2.3 4,-1.4 -5,-0.2 -1,-0.2 0.911 111.3 43.2 -64.6 -43.3 54.4 9.6 35.0 59 59 A R H X S+ 0 0 63 -4,-1.3 4,-2.0 -3,-0.2 -2,-0.2 0.920 114.0 51.4 -72.3 -37.3 56.7 7.6 32.7 60 60 A R H X S+ 0 0 67 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.914 107.6 52.6 -66.0 -40.2 56.5 10.3 30.0 61 61 A L H X S+ 0 0 7 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.880 108.8 49.8 -60.6 -41.5 57.4 13.1 32.4 62 62 A A H X S+ 0 0 0 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.922 111.2 49.2 -64.2 -43.8 60.5 11.2 33.5 63 63 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.842 111.4 49.7 -63.4 -35.6 61.6 10.6 29.9 64 64 A L H X S+ 0 0 1 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.820 105.8 55.5 -75.5 -32.0 61.1 14.3 29.1 65 65 A Y H <>S+ 0 0 0 -4,-1.9 5,-2.2 2,-0.2 4,-0.4 0.924 116.1 38.5 -62.3 -47.2 63.1 15.4 32.1 66 66 A L H <5S+ 0 0 9 -4,-1.8 3,-0.4 3,-0.2 -2,-0.2 0.816 112.6 58.1 -72.1 -34.4 66.0 13.3 30.8 67 67 A A H <5S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.839 102.7 52.4 -65.9 -38.6 65.3 14.2 27.2 68 68 A V T <5S- 0 0 13 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.691 133.6 -88.9 -73.9 -12.9 65.7 17.9 27.8 69 69 A G T 5 + 0 0 32 -4,-0.4 2,-0.2 -3,-0.4 -3,-0.2 0.515 69.6 153.8 122.1 5.3 69.1 17.1 29.4 70 70 A I < - 0 0 4 -5,-2.2 -1,-0.3 -6,-0.2 -43,-0.1 -0.535 36.7-145.9 -64.4 128.0 68.7 16.4 33.1 71 71 A D >> - 0 0 57 -2,-0.2 3,-2.5 1,-0.1 4,-1.4 -0.902 4.6-145.7-101.4 114.1 71.7 14.1 33.9 72 72 A P T 34 S+ 0 0 50 0, 0.0 5,-0.2 0, 0.0 -1,-0.1 0.663 98.8 56.3 -57.5 -15.2 70.8 11.5 36.5 73 73 A T T 34 S+ 0 0 107 1,-0.1 3,-0.1 3,-0.1 -3,-0.0 0.478 111.3 42.0 -92.7 -7.2 74.3 11.7 37.9 74 74 A Q T <4 S+ 0 0 95 -3,-2.5 -39,-0.6 1,-0.2 2,-0.3 0.550 124.4 24.3-110.7 -17.4 74.2 15.4 38.5 75 75 A A E < S-c 35 0A 5 -4,-1.4 2,-0.7 -41,-0.1 -1,-0.2 -0.942 77.5-112.5-144.9 161.8 70.7 15.6 39.9 76 76 A T E -c 36 0A 18 -41,-2.8 -39,-3.0 -2,-0.3 2,-0.5 -0.908 29.6-170.4-103.2 112.5 68.2 13.4 41.7 77 77 A L E +c 37 0A 3 -2,-0.7 2,-0.3 222,-0.2 226,-0.2 -0.908 22.6 151.5-103.0 120.0 65.1 12.6 39.6 78 78 A F E -c 38 0A 0 -41,-2.1 -39,-2.9 -2,-0.5 2,-0.5 -0.940 46.1-109.4-149.2 170.4 62.3 10.9 41.4 79 79 A I E > -c 39 0A 13 -2,-0.3 3,-1.4 221,-0.3 4,-0.2 -0.907 26.0-138.6-105.6 124.4 58.7 10.1 41.9 80 80 A Q G > S+ 0 0 0 -41,-2.7 3,-2.6 -2,-0.5 6,-0.3 0.898 99.1 53.9 -44.9 -59.8 57.0 11.7 44.9 81 81 A S G 3 S+ 0 0 55 -42,-0.3 -1,-0.3 1,-0.3 6,-0.1 0.707 97.7 66.3 -53.1 -24.9 54.8 8.7 45.9 82 82 A E G < S+ 0 0 84 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.479 94.2 64.2 -79.7 -0.3 57.9 6.5 46.0 83 83 A V X - 0 0 0 -3,-2.6 3,-2.2 -4,-0.2 4,-0.5 -0.864 69.5-164.5-123.3 92.0 59.2 8.5 49.0 84 84 A P T 3> S+ 0 0 79 0, 0.0 4,-1.8 0, 0.0 3,-0.3 0.702 79.1 78.6 -49.5 -23.3 56.8 8.0 51.9 85 85 A A H 3> S+ 0 0 1 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.744 84.1 61.9 -60.7 -26.1 58.3 11.0 53.7 86 86 A H H <> S+ 0 0 0 -3,-2.2 4,-1.8 -6,-0.3 -1,-0.2 0.958 107.9 41.9 -67.4 -45.7 56.4 13.4 51.5 87 87 A A H > S+ 0 0 45 -4,-0.5 4,-1.4 -3,-0.3 -2,-0.2 0.850 116.7 51.4 -66.5 -32.3 53.1 12.1 52.8 88 88 A Q H X S+ 0 0 78 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.960 113.6 40.0 -69.1 -51.5 54.5 12.0 56.3 89 89 A A H X S+ 0 0 1 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.792 111.1 60.9 -67.5 -28.6 55.9 15.6 56.4 90 90 A A H X S+ 0 0 7 -4,-1.8 4,-1.9 -5,-0.3 -1,-0.2 0.883 104.4 48.6 -64.3 -41.4 52.7 16.7 54.6 91 91 A W H X S+ 0 0 159 -4,-1.4 4,-0.8 2,-0.2 -2,-0.2 0.958 112.7 47.0 -64.1 -47.9 50.6 15.4 57.5 92 92 A M H >< S+ 0 0 6 -4,-1.8 3,-0.7 1,-0.2 4,-0.2 0.887 112.3 51.0 -59.7 -41.5 52.8 17.2 60.1 93 93 A L H >X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 3,-1.2 0.842 104.4 56.7 -69.6 -31.6 52.7 20.4 58.1 94 94 A Q H 3< S+ 0 0 62 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.684 98.8 60.6 -75.4 -10.1 49.0 20.4 57.8 95 95 A C T << S+ 0 0 69 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.496 112.6 39.6 -89.0 -5.0 48.6 20.3 61.6 96 96 A I T <4 S+ 0 0 3 -3,-1.2 -2,-0.2 -4,-0.2 2,-0.1 0.615 96.4 87.0-115.3 -17.8 50.5 23.6 61.6 97 97 A V S < S- 0 0 13 -4,-1.6 2,-0.3 1,-0.1 3,-0.0 -0.503 79.3-123.4 -79.0 146.7 49.0 25.4 58.6 98 98 A Y >> - 0 0 124 -2,-0.1 4,-1.2 1,-0.1 3,-1.1 -0.742 13.3-124.3 -93.1 143.3 45.8 27.4 59.4 99 99 A I H 3> S+ 0 0 119 -2,-0.3 4,-1.6 1,-0.3 3,-0.3 0.840 111.4 57.0 -52.0 -36.3 42.6 26.6 57.4 100 100 A G H 3> S+ 0 0 23 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.789 99.9 56.7 -67.2 -31.3 42.4 30.3 56.4 101 101 A E H <4 S+ 0 0 19 -3,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.842 109.2 48.0 -69.7 -28.9 45.9 30.3 54.8 102 102 A L H >< S+ 0 0 8 -4,-1.2 3,-0.8 -3,-0.3 -2,-0.2 0.836 109.6 50.5 -77.1 -38.5 44.8 27.4 52.6 103 103 A E H 3< S+ 0 0 103 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.705 105.3 58.2 -74.4 -19.8 41.5 29.0 51.5 104 104 A R T 3< S+ 0 0 152 -4,-1.1 2,-0.3 -5,-0.2 -1,-0.2 0.495 76.3 114.5 -88.6 -5.5 43.3 32.2 50.6 105 105 A M <> - 0 0 14 -3,-0.8 4,-2.2 -4,-0.2 5,-0.2 -0.529 62.4-146.2 -68.5 126.5 45.5 30.5 48.1 106 106 A T H > S+ 0 0 65 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.801 98.4 56.5 -66.2 -28.1 44.6 31.8 44.6 107 107 A Q H > S+ 0 0 22 2,-0.2 4,-3.0 3,-0.2 5,-0.4 0.924 108.1 49.0 -68.8 -39.9 45.4 28.5 43.0 108 108 A F H > S+ 0 0 38 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.972 114.6 43.3 -59.4 -56.1 42.8 26.9 45.3 109 109 A K H < S+ 0 0 111 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.785 117.4 47.9 -60.4 -33.2 40.2 29.5 44.6 110 110 A E H >< S+ 0 0 132 -4,-2.0 3,-0.9 2,-0.2 -2,-0.2 0.976 116.9 39.0 -72.3 -58.3 41.0 29.3 40.9 111 111 A K H 3< S+ 0 0 63 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.781 122.8 44.3 -63.6 -27.1 41.0 25.6 40.5 112 112 A S T >< S+ 0 0 24 -4,-2.5 3,-1.4 -5,-0.4 -1,-0.3 0.544 86.6 128.4 -93.4 -5.6 38.0 25.4 42.9 113 113 A A T < S- 0 0 60 -3,-0.9 -3,-0.1 1,-0.3 -4,-0.0 -0.279 82.7 -4.1 -55.2 115.9 36.4 28.3 41.0 114 114 A G T 3 S+ 0 0 87 1,-0.2 2,-0.4 -2,-0.2 -1,-0.3 0.863 96.9 130.3 68.3 41.8 32.9 27.3 40.1 115 115 A K < - 0 0 129 -3,-1.4 -1,-0.2 1,-0.2 3,-0.1 -0.976 46.3-154.3-124.9 136.8 32.8 23.7 41.3 116 116 A E S S+ 0 0 205 -2,-0.4 2,-0.5 1,-0.3 -1,-0.2 0.983 84.2 23.5 -72.0 -60.8 30.1 22.3 43.5 117 117 A A S S- 0 0 92 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 -0.924 75.2-177.2-110.6 130.3 32.0 19.5 45.2 118 118 A V - 0 0 70 -2,-0.5 2,-0.1 -3,-0.1 -71,-0.1 -0.938 28.1-105.5-129.1 151.5 35.8 19.6 45.5 119 119 A S >> - 0 0 52 -2,-0.3 4,-1.0 -73,-0.3 3,-0.7 -0.410 20.2-130.9 -73.0 146.2 38.4 17.3 46.9 120 120 A A H 3> S+ 0 0 74 1,-0.2 4,-2.4 2,-0.2 3,-0.3 0.863 107.5 67.7 -63.6 -33.1 40.1 18.1 50.2 121 121 A G H 34 S+ 0 0 22 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.846 92.0 58.9 -54.0 -37.3 43.4 17.4 48.4 122 122 A L H X4 S+ 0 0 11 -3,-0.7 3,-0.8 -76,-0.4 -1,-0.2 0.951 111.7 41.2 -57.1 -47.6 42.8 20.6 46.3 123 123 A L H 3< S+ 0 0 44 -4,-1.0 -2,-0.2 -3,-0.3 -1,-0.2 0.866 116.7 47.8 -66.4 -40.9 42.7 22.6 49.5 124 124 A T T 3X S+ 0 0 34 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.200 77.1 109.9 -91.6 18.7 45.6 20.7 51.2 125 125 A Y H <> S+ 0 0 14 -3,-0.8 4,-1.9 -4,-0.4 -1,-0.2 0.854 71.7 59.2 -56.2 -42.1 47.8 21.0 48.1 126 126 A P H > S+ 0 0 6 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.907 98.3 51.9 -64.5 -43.9 50.1 23.5 49.9 127 127 A P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -2,-0.2 0.853 111.5 50.1 -61.6 -33.2 51.3 21.5 52.9 128 128 A L H X S+ 0 0 21 -4,-1.0 4,-2.5 2,-0.2 5,-0.1 0.922 112.4 46.0 -71.0 -42.1 52.4 18.6 50.6 129 129 A M H X S+ 0 0 20 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.821 111.4 52.8 -67.2 -32.3 54.3 21.0 48.4 130 130 A A H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.905 110.6 47.4 -69.6 -40.1 55.8 22.6 51.5 131 131 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.898 106.1 58.9 -63.6 -44.4 56.9 19.1 52.6 132 132 A D H < S+ 0 0 3 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.899 117.3 32.4 -49.5 -48.0 58.3 18.4 49.1 133 133 A I H ><>S+ 0 0 1 -4,-1.5 3,-1.2 2,-0.1 5,-1.2 0.931 118.0 50.6 -77.0 -51.3 60.6 21.4 49.4 134 134 A L H ><5S+ 0 0 4 -4,-3.0 3,-1.7 1,-0.3 36,-0.3 0.801 95.7 72.7 -62.7 -30.4 61.3 21.5 53.2 135 135 A L T 3<5S+ 0 0 1 -4,-2.3 -1,-0.3 1,-0.3 179,-0.2 0.725 100.9 42.3 -54.9 -32.1 62.3 17.8 53.3 136 136 A Y T < 5S- 0 0 7 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.239 111.2-110.8-107.3 15.8 65.6 18.4 51.5 137 137 A N T < 5 - 0 0 66 -3,-1.7 -134,-0.3 1,-0.2 -3,-0.2 0.919 51.3-164.6 53.6 45.8 66.8 21.5 53.2 138 138 A T < - 0 0 1 -5,-1.2 -134,-0.2 32,-0.2 -1,-0.2 -0.375 25.7-177.8 -65.7 135.5 66.2 23.3 49.9 139 139 A D S S+ 0 0 47 -136,-2.1 34,-2.0 1,-0.3 2,-0.4 0.822 70.8 33.8 -97.8 -44.7 67.7 26.8 49.4 140 140 A I E -bd 4 173A 11 -137,-2.3 -135,-1.4 32,-0.2 -1,-0.3 -0.945 59.6-163.2-121.9 137.6 66.3 27.6 46.0 141 141 A V E - d 0 174A 2 32,-3.2 34,-3.0 -2,-0.4 2,-0.7 -0.908 14.7-150.0-120.8 103.4 63.0 26.7 44.3 142 142 A P E + d 0 175A 4 0, 0.0 2,-0.2 0, 0.0 34,-0.2 -0.633 40.1 128.0 -82.0 111.8 63.0 27.1 40.6 143 143 A V - 0 0 10 32,-1.6 2,-0.2 -2,-0.7 38,-0.0 -0.725 53.7 -68.5-146.5 177.4 59.5 28.0 39.2 144 144 A G > - 0 0 9 32,-0.3 3,-2.4 -2,-0.2 4,-0.3 -0.310 41.1-119.4 104.2 73.9 57.1 29.2 37.9 145 145 A E G > S+ 0 0 68 36,-1.3 3,-1.5 1,-0.3 4,-0.3 0.825 113.0 59.9 -50.8 -37.8 55.4 32.6 38.7 146 146 A D G 3 S+ 0 0 66 35,-0.4 -1,-0.3 1,-0.3 4,-0.2 0.607 101.3 57.8 -66.3 -13.4 52.1 30.9 39.5 147 147 A Q G <> S+ 0 0 22 -3,-2.4 4,-1.5 1,-0.1 -1,-0.3 0.444 77.8 94.1 -97.6 -1.3 54.0 29.0 42.2 148 148 A K H <> S+ 0 0 75 -3,-1.5 4,-1.9 -4,-0.3 -1,-0.1 0.889 82.6 50.8 -56.2 -48.1 55.3 32.1 44.1 149 149 A Q H > S+ 0 0 57 -4,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.855 108.5 52.9 -63.2 -33.8 52.4 32.2 46.6 150 150 A H H > S+ 0 0 6 -4,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.834 108.7 49.4 -67.8 -36.2 52.9 28.6 47.5 151 151 A I H X S+ 0 0 2 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.862 108.8 53.7 -73.0 -32.7 56.6 29.1 48.2 152 152 A E H X S+ 0 0 92 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.910 110.4 45.9 -67.3 -41.2 55.7 32.1 50.4 153 153 A L H X S+ 0 0 7 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.937 108.8 56.5 -64.0 -46.3 53.3 30.0 52.4 154 154 A T H X S+ 0 0 2 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.854 107.0 50.0 -52.3 -38.6 56.0 27.2 52.6 155 155 A R H X S+ 0 0 84 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.875 109.5 49.9 -68.9 -39.5 58.3 29.9 54.1 156 156 A D H X S+ 0 0 84 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.812 112.2 49.7 -65.8 -34.3 55.7 30.9 56.7 157 157 A L H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.819 110.1 47.6 -75.4 -37.3 55.3 27.2 57.6 158 158 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 -5,-0.2 11,-0.3 0.869 114.0 49.1 -70.1 -38.4 59.0 26.5 58.0 159 159 A E H X S+ 0 0 70 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.929 110.5 49.8 -66.3 -42.3 59.3 29.6 60.2 160 160 A R H X S+ 0 0 44 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.905 114.0 45.5 -63.4 -40.8 56.3 28.6 62.3 161 161 A F H X>S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 5,-0.7 0.917 112.3 51.8 -67.3 -44.6 57.7 25.2 62.8 162 162 A N H X5S+ 0 0 3 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.878 116.8 37.8 -60.7 -41.5 61.2 26.6 63.6 163 163 A K H <5S+ 0 0 131 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.673 118.5 49.7 -84.3 -22.6 59.9 29.0 66.2 164 164 A R H <5S+ 0 0 113 -4,-1.6 -2,-0.2 -5,-0.2 -3,-0.2 0.849 133.5 6.9 -80.7 -42.3 57.3 26.6 67.6 165 165 A Y H <5S- 0 0 89 -4,-2.6 -3,-0.2 1,-0.3 -2,-0.2 0.587 117.6 -71.5-117.8 -23.1 59.6 23.6 68.1 166 166 A G << - 0 0 35 -4,-1.1 2,-0.3 -5,-0.7 -1,-0.3 -0.360 64.3 -56.4 132.2 147.5 63.2 24.6 67.3 167 167 A E S S+ 0 0 130 1,-0.2 3,-0.1 -2,-0.1 -5,-0.1 -0.369 72.2 129.8 -60.6 116.2 65.3 25.5 64.3 168 168 A L + 0 0 36 -2,-0.3 2,-0.4 -10,-0.2 -1,-0.2 0.571 48.1 70.0-133.7 -45.4 65.1 22.7 61.8 169 169 A F - 0 0 9 -11,-0.3 2,-0.3 -10,-0.0 -1,-0.2 -0.705 67.0-132.3 -93.5 144.1 64.2 24.0 58.3 170 170 A T - 0 0 43 -2,-0.4 -32,-0.2 -36,-0.3 -33,-0.1 -0.624 34.4-118.8 -80.4 135.7 66.1 26.1 55.9 171 171 A I - 0 0 53 -2,-0.3 2,-0.1 -34,-0.1 -16,-0.1 -0.725 35.5-140.6 -80.1 116.2 63.9 28.9 54.7 172 172 A P - 0 0 0 0, 0.0 2,-0.4 0, 0.0 -32,-0.2 -0.406 8.8-144.8 -77.8 162.2 63.6 28.3 50.9 173 173 A E E -d 140 0A 124 -34,-2.0 -32,-3.2 -2,-0.1 2,-0.1 -0.990 13.6-124.5-129.1 136.8 63.6 31.0 48.2 174 174 A A E -d 141 0A 33 -2,-0.4 2,-0.5 -34,-0.2 -26,-0.0 -0.449 15.7-158.3 -73.4 143.0 61.7 31.1 45.0 175 175 A R E +d 142 0A 106 -34,-3.0 -32,-1.6 -2,-0.1 -1,-0.0 -0.887 16.8 177.4-126.5 97.9 63.7 31.5 41.8 176 176 A I - 0 0 33 -2,-0.5 -32,-0.3 -34,-0.2 5,-0.1 -0.887 30.9-115.4-104.5 126.3 61.4 32.9 39.1 177 177 A P - 0 0 29 0, 0.0 4,-0.3 0, 0.0 -32,-0.1 -0.277 11.5-134.3 -61.5 145.6 62.9 33.7 35.6 178 178 A K S S+ 0 0 206 2,-0.1 2,-0.3 1,-0.1 3,-0.1 0.883 95.2 40.2 -66.8 -36.0 62.8 37.3 34.5 179 179 A V S S+ 0 0 75 1,-0.1 -1,-0.1 -159,-0.1 64,-0.0 -0.875 120.4 12.9-115.1 147.5 61.5 36.1 31.1 180 180 A G S > S+ 0 0 11 -2,-0.3 3,-0.5 2,-0.1 -1,-0.1 0.550 75.0 132.6 71.4 10.4 58.9 33.4 30.4 181 181 A A T 3 S+ 0 0 18 -4,-0.3 -36,-1.3 1,-0.3 -35,-0.4 0.649 78.8 29.7 -66.6 -13.3 57.7 33.1 34.0 182 182 A R T 3 S- 0 0 110 -37,-0.1 -1,-0.3 -38,-0.1 2,-0.2 -0.504 70.1-175.1-151.6 77.0 54.1 33.2 32.7 183 183 A I < - 0 0 8 -3,-0.5 10,-3.1 -166,-0.1 2,-0.2 -0.540 25.9-133.7 -74.3 132.8 53.3 31.8 29.3 184 184 A M B -F 192 0C 17 8,-0.3 8,-0.3 -2,-0.2 -1,-0.1 -0.506 21.5 -90.3 -92.7 160.3 49.7 32.5 28.4 185 185 A S - 0 0 1 6,-3.5 18,-0.2 3,-0.7 6,-0.1 -0.378 27.2-139.3 -62.5 141.0 47.0 30.2 27.0 186 186 A L S S+ 0 0 5 16,-1.8 35,-2.8 1,-0.2 16,-0.2 0.677 105.1 42.2 -73.5 -20.8 46.9 30.4 23.2 187 187 A V S S+ 0 0 41 1,-0.3 -1,-0.2 33,-0.2 15,-0.1 0.673 126.7 27.4-102.0 -26.1 43.1 30.4 23.4 188 188 A D > - 0 0 47 3,-0.2 3,-2.3 14,-0.1 -3,-0.7 -0.807 64.7-167.4-142.3 92.9 42.6 32.8 26.3 189 189 A P T 3 S+ 0 0 18 0, 0.0 4,-0.1 0, 0.0 -3,-0.1 0.456 85.3 65.0 -62.9 -0.9 45.5 35.3 26.7 190 190 A T T 3 S+ 0 0 99 2,-0.1 2,-0.3 -6,-0.1 -6,-0.0 0.496 98.2 62.7 -98.3 -5.8 44.2 36.3 30.1 191 191 A K S < S- 0 0 94 -3,-2.3 -6,-3.5 -6,-0.1 -3,-0.2 -0.905 89.0-109.2-118.6 148.9 44.9 32.9 31.6 192 192 A K B -F 184 0C 58 -2,-0.3 2,-0.4 -8,-0.3 -8,-0.3 -0.337 42.0 -95.5 -72.1 154.5 48.2 31.1 31.9 193 193 A M - 0 0 7 -10,-3.1 2,-0.4 -8,-0.1 -10,-0.1 -0.578 48.1-168.2 -70.6 122.3 49.0 28.1 29.7 194 194 A S > - 0 0 33 -2,-0.4 3,-2.1 1,-0.1 8,-0.1 -0.977 28.1-142.6-123.5 133.3 48.1 24.9 31.7 195 195 A K T 3 S+ 0 0 22 -2,-0.4 -182,-0.3 1,-0.3 -1,-0.1 0.763 106.3 48.0 -62.9 -22.6 49.0 21.4 30.9 196 196 A S T 3 S+ 0 0 60 -184,-0.1 -1,-0.3 -3,-0.0 -184,-0.0 0.203 76.2 139.3-104.8 17.9 45.6 20.4 32.2 197 197 A D < - 0 0 22 -3,-2.1 6,-0.1 1,-0.2 5,-0.1 -0.411 58.8-130.6 -60.2 133.4 43.5 23.0 30.3 198 198 A P S S+ 0 0 130 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.691 95.4 71.6 -60.9 -14.7 40.3 21.2 29.1 199 199 A N > - 0 0 54 1,-0.1 3,-1.8 2,-0.0 4,-0.3 -0.888 68.8-160.3-106.0 113.3 41.1 22.8 25.7 200 200 A P G > S+ 0 0 68 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.720 89.2 68.1 -63.8 -18.8 44.0 21.2 23.9 201 201 A K G 3 S+ 0 0 97 1,-0.2 -15,-0.1 3,-0.1 18,-0.0 0.651 86.0 72.1 -72.7 -16.6 44.4 24.3 21.7 202 202 A A G < S+ 0 0 0 -3,-1.8 -16,-1.8 -16,-0.2 2,-0.3 0.730 105.2 26.2 -67.5 -30.8 45.4 26.3 24.8 203 203 A Y < - 0 0 35 -3,-0.8 2,-0.5 -4,-0.3 -18,-0.1 -0.896 65.9-134.5-133.5 165.1 48.8 24.7 25.1 204 204 A I - 0 0 0 -2,-0.3 -188,-1.7 4,-0.0 -187,-0.2 -0.992 28.2-143.8-119.8 115.3 51.4 23.0 23.0 205 205 A T B > -E 15 0B 12 -2,-0.5 3,-1.7 -190,-0.2 -190,-0.3 -0.467 23.0-117.0 -75.7 157.8 52.8 19.9 24.6 206 206 A L T 3 S+ 0 0 0 -192,-2.7 -191,-0.1 1,-0.3 -1,-0.1 0.621 118.0 53.4 -66.5 -10.2 56.5 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 0.335 79.3 125.0-106.4 5.2 55.1 15.8 22.5 208 208 A D < - 0 0 20 -3,-1.7 2,-0.1 1,-0.1 76,-0.1 -0.390 58.9-124.1 -67.2 140.8 53.0 17.6 19.9 209 209 A D > - 0 0 86 -2,-0.1 4,-2.5 1,-0.1 3,-0.2 -0.367 26.5-103.0 -82.8 163.7 53.6 16.8 16.2 210 210 A A H > S+ 0 0 37 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.927 122.1 50.6 -52.4 -50.2 54.5 19.5 13.6 211 211 A K H > S+ 0 0 149 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.864 112.2 48.6 -54.7 -41.0 51.0 19.4 12.1 212 212 A T H > S+ 0 0 44 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.883 110.1 50.1 -71.7 -36.6 49.5 19.9 15.6 213 213 A I H X S+ 0 0 2 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.909 109.2 52.2 -69.1 -37.7 51.8 22.7 16.4 214 214 A E H X S+ 0 0 85 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.919 111.0 47.3 -62.7 -44.6 51.0 24.5 13.2 215 215 A K H X S+ 0 0 137 -4,-1.8 4,-2.8 -5,-0.2 5,-0.2 0.951 112.9 48.5 -59.8 -52.5 47.2 24.3 13.9 216 216 A K H < S+ 0 0 18 -4,-2.2 4,-0.3 2,-0.2 -2,-0.2 0.878 113.8 44.9 -58.6 -41.8 47.6 25.5 17.5 217 217 A I H >< S+ 0 0 1 -4,-2.5 3,-1.0 1,-0.2 -1,-0.2 0.914 113.9 51.8 -69.8 -38.6 49.8 28.5 16.5 218 218 A K H 3< S+ 0 0 157 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.889 110.1 47.2 -63.6 -41.0 47.4 29.2 13.7 219 219 A S T 3< S+ 0 0 59 -4,-2.8 -1,-0.3 -5,-0.1 -2,-0.2 0.472 84.8 128.7 -77.2 -7.0 44.3 29.2 15.9 220 220 A A < - 0 0 4 -3,-1.0 -33,-0.2 -4,-0.3 2,-0.2 -0.301 67.0-109.3 -56.7 136.0 46.0 31.4 18.5 221 221 A V + 0 0 63 -35,-2.8 -1,-0.1 1,-0.1 2,-0.1 -0.429 52.7 148.6 -67.9 133.0 44.0 34.4 19.5 222 222 A T - 0 0 41 -2,-0.2 15,-0.3 15,-0.1 2,-0.2 0.009 38.0-102.8-129.1-121.4 45.3 37.8 18.3 223 223 A D - 0 0 47 12,-0.1 3,-0.1 -2,-0.1 -1,-0.1 -0.871 30.1 -93.7-160.4-171.1 43.4 41.0 17.4 224 224 A S S S+ 0 0 131 -2,-0.2 0, 0.0 1,-0.1 0, 0.0 0.210 97.5 87.2-106.3 17.3 42.3 43.0 14.4 225 225 A E S S- 0 0 97 2,-0.1 -1,-0.1 1,-0.0 3,-0.1 0.871 71.3-152.7 -79.5 -44.2 45.3 45.3 14.1 226 226 A G + 0 0 34 1,-0.2 2,-0.6 -3,-0.1 39,-0.1 0.716 55.2 126.9 73.2 18.9 47.5 43.1 12.0 227 227 A T - 0 0 64 2,-0.1 2,-1.2 37,-0.1 -1,-0.2 -0.927 57.2-143.7-115.7 115.0 50.5 44.9 13.6 228 228 A I + 0 0 7 35,-0.7 2,-0.3 -2,-0.6 32,-0.1 -0.612 50.9 124.3 -78.8 97.4 53.2 42.8 15.3 229 229 A R - 0 0 95 -2,-1.2 2,-0.5 6,-0.1 13,-0.1 -0.985 62.6-102.0-152.8 148.6 54.2 44.8 18.3 230 230 A Y + 0 0 75 -2,-0.3 2,-0.1 9,-0.1 -2,-0.0 -0.652 51.6 142.0 -80.4 125.4 54.4 44.1 22.0 231 231 A D B > -G 235 0D 37 4,-0.5 4,-3.5 -2,-0.5 8,-0.3 -0.597 25.8-169.9-162.7 88.5 51.6 45.4 24.2 232 232 A K T 4 S+ 0 0 125 1,-0.2 8,-0.1 2,-0.2 7,-0.1 0.845 89.2 39.5 -51.3 -41.8 50.5 43.1 27.0 233 233 A E T 4 S+ 0 0 176 2,-0.2 -1,-0.2 1,-0.1 -2,-0.0 0.941 127.9 29.2 -76.5 -51.1 47.4 45.2 27.9 234 234 A A T 4 S+ 0 0 56 1,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.815 135.4 26.7 -80.0 -35.3 46.2 46.2 24.4 235 235 A K B X +G 231 0D 0 -4,-3.5 4,-2.1 1,-0.1 -4,-0.5 -0.518 68.6 160.2-130.0 66.5 47.5 43.1 22.5 236 236 A P H > S+ 0 0 47 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.869 74.3 45.0 -58.1 -43.8 47.7 40.2 24.9 237 237 A G H > S+ 0 0 5 -15,-0.3 4,-1.7 1,-0.2 -15,-0.1 0.895 115.7 45.5 -69.4 -44.4 47.7 37.3 22.4 238 238 A I H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.837 112.3 52.8 -67.5 -34.4 50.3 38.8 20.0 239 239 A S H X S+ 0 0 1 -4,-2.1 4,-1.9 -8,-0.3 -2,-0.2 0.852 109.7 48.4 -70.4 -36.0 52.5 39.8 23.0 240 240 A N H X S+ 0 0 8 -4,-1.7 4,-2.1 -5,-0.2 -1,-0.2 0.842 110.2 50.9 -70.3 -38.4 52.4 36.3 24.3 241 241 A L H X S+ 0 0 2 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.862 110.4 50.5 -67.3 -34.3 53.3 34.9 20.9 242 242 A L H X S+ 0 0 0 -4,-1.8 4,-3.4 2,-0.2 -2,-0.2 0.894 109.2 51.6 -69.2 -38.5 56.2 37.4 20.7 243 243 A N H X S+ 0 0 32 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.884 111.5 45.9 -63.7 -43.8 57.3 36.2 24.2 244 244 A I H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 5,-0.3 0.959 115.7 47.1 -64.7 -47.1 57.3 32.6 23.1 245 245 A Y H X S+ 0 0 16 -4,-2.5 4,-2.2 1,-0.2 6,-0.4 0.925 113.3 49.7 -59.2 -46.3 59.1 33.5 19.9 246 246 A S H X S+ 0 0 18 -4,-3.4 4,-1.9 1,-0.2 5,-0.3 0.902 113.3 41.8 -62.8 -47.5 61.6 35.6 21.7 247 247 A T H < S+ 0 0 24 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.793 119.2 45.6 -71.3 -32.3 62.7 33.1 24.4 248 248 A L H < S+ 0 0 26 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.806 121.2 36.6 -79.1 -34.3 62.8 30.2 22.0 249 249 A S H < S- 0 0 46 -4,-2.2 -2,-0.2 -5,-0.3 -3,-0.2 0.693 100.2-126.4 -91.3 -24.9 64.7 32.0 19.3 250 250 A G < + 0 0 70 -4,-1.9 2,-0.3 1,-0.4 -3,-0.1 0.508 68.7 125.9 89.2 3.4 67.0 34.1 21.4 251 251 A Q - 0 0 64 -6,-0.4 -1,-0.4 -5,-0.3 -2,-0.2 -0.709 63.8-110.9 -92.4 149.6 65.9 37.3 19.6 252 252 A S > - 0 0 44 -2,-0.3 4,-2.2 1,-0.1 3,-0.2 -0.343 23.7-114.8 -76.3 157.1 64.6 40.3 21.6 253 253 A I H > S+ 0 0 34 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.902 121.2 53.0 -53.5 -40.3 60.9 41.3 21.4 254 254 A E H > S+ 0 0 132 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.822 105.2 51.0 -65.7 -37.5 62.3 44.5 19.8 255 255 A E H > S+ 0 0 96 -3,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.889 111.3 49.3 -68.2 -39.1 64.3 42.6 17.1 256 256 A L H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.888 105.2 57.2 -68.8 -37.3 61.2 40.6 16.2 257 257 A E H < S+ 0 0 27 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.870 112.0 42.6 -59.8 -38.6 59.1 43.8 16.0 258 258 A R H >< S+ 0 0 120 -4,-1.4 3,-2.1 1,-0.2 -2,-0.2 0.936 111.5 53.0 -72.6 -49.2 61.6 45.1 13.3 259 259 A Q H 3< S+ 0 0 77 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.755 114.3 44.1 -58.3 -25.3 61.9 41.8 11.5 260 260 A Y T >< S+ 0 0 5 -4,-1.6 3,-2.0 -5,-0.2 -32,-0.4 0.174 80.4 136.1-107.2 18.2 58.1 41.7 11.2 261 261 A E T < S+ 0 0 118 -3,-2.1 3,-0.1 1,-0.3 -3,-0.1 -0.462 76.5 18.8 -65.5 129.9 57.7 45.3 10.2 262 262 A G T 3 S+ 0 0 89 1,-0.4 -1,-0.3 -2,-0.2 2,-0.2 0.477 113.1 133.5 86.0 0.9 55.1 45.5 7.4 263 263 A K < - 0 0 98 -3,-2.0 -35,-0.7 1,-0.1 -1,-0.4 -0.669 51.3-109.0-116.2 171.1 53.8 42.0 8.1 264 264 A G > - 0 0 27 -2,-0.2 4,-2.3 -37,-0.2 5,-0.1 -0.401 13.2-143.2 130.2 70.2 51.8 39.9 8.6 265 265 A Y H > S+ 0 0 31 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.829 104.8 56.8 -60.3 -41.1 50.1 37.6 11.2 266 266 A G H > S+ 0 0 55 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.947 114.4 38.5 -56.1 -48.3 49.8 34.7 8.9 267 267 A V H > S+ 0 0 64 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.839 114.4 54.3 -73.3 -35.4 53.5 34.7 8.2 268 268 A F H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.930 112.9 43.3 -65.0 -43.9 54.4 35.5 11.8 269 269 A K H X S+ 0 0 26 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.899 111.8 52.8 -68.8 -43.2 52.4 32.5 13.0 270 270 A A H X S+ 0 0 57 -4,-2.2 4,-1.3 -5,-0.3 -1,-0.2 0.861 112.8 46.3 -58.6 -38.3 53.8 30.2 10.3 271 271 A D H X S+ 0 0 58 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.882 110.8 51.3 -71.4 -44.0 57.3 31.2 11.3 272 272 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.904 105.3 56.3 -62.4 -41.5 56.7 30.8 15.0 273 273 A A H X S+ 0 0 1 -4,-2.5 4,-3.3 1,-0.2 5,-0.2 0.945 108.5 47.5 -56.0 -48.2 55.2 27.3 14.5 274 274 A Q H X S+ 0 0 77 -4,-1.3 4,-2.9 1,-0.2 -1,-0.2 0.863 108.5 55.2 -62.4 -35.9 58.5 26.2 12.8 275 275 A V H X S+ 0 0 29 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.902 112.9 42.2 -62.5 -40.4 60.5 27.8 15.6 276 276 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.936 114.7 50.1 -71.6 -48.6 58.6 25.6 18.2 277 277 A I H X S+ 0 0 7 -4,-3.3 4,-1.7 1,-0.2 -2,-0.2 0.915 111.1 49.5 -53.7 -45.5 58.8 22.6 16.0 278 278 A E H < S+ 0 0 97 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.834 111.8 48.8 -67.5 -30.5 62.5 23.0 15.5 279 279 A T H X S+ 0 0 34 -4,-1.4 4,-0.6 -5,-0.2 -1,-0.2 0.898 113.7 45.6 -71.0 -43.8 63.0 23.4 19.3 280 280 A L H X S+ 0 0 2 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.711 94.3 83.8 -73.9 -25.5 61.0 20.3 20.1 281 281 A R H X S+ 0 0 129 -4,-1.7 4,-1.5 -5,-0.2 -1,-0.2 0.908 94.1 36.9 -44.0 -62.7 62.7 18.2 17.4 282 282 A P H > S+ 0 0 60 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.848 116.9 56.0 -68.6 -28.2 65.8 17.0 19.3 283 283 A I H X S+ 0 0 5 -4,-0.6 4,-1.9 1,-0.2 -2,-0.2 0.920 105.8 48.4 -66.1 -46.1 63.8 16.7 22.5 284 284 A Q H X S+ 0 0 39 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.845 107.2 57.5 -65.1 -33.3 61.2 14.4 21.1 285 285 A E H X S+ 0 0 148 -4,-1.5 4,-1.2 -5,-0.3 -1,-0.2 0.917 110.3 41.6 -63.7 -45.0 63.9 12.2 19.6 286 286 A R H X S+ 0 0 108 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.825 108.4 61.8 -72.8 -30.8 65.6 11.5 22.9 287 287 A Y H X S+ 0 0 11 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.936 103.7 49.1 -59.6 -44.9 62.2 11.1 24.6 288 288 A H H X S+ 0 0 104 -4,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.866 107.8 55.3 -64.6 -33.5 61.5 8.1 22.3 289 289 A H H >< S+ 0 0 105 -4,-1.2 3,-0.7 1,-0.2 -2,-0.2 0.965 111.9 42.1 -62.9 -50.5 64.9 6.7 23.2 290 290 A W H >< S+ 0 0 44 -4,-2.4 3,-1.5 1,-0.2 6,-0.4 0.870 108.1 60.1 -64.3 -40.6 64.1 6.8 26.9 291 291 A M H 3< S+ 0 0 49 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.769 104.6 51.1 -59.4 -26.9 60.6 5.6 26.5 292 292 A E T << S+ 0 0 151 -4,-1.1 2,-0.3 -3,-0.7 -1,-0.3 0.147 102.3 66.9-102.7 20.6 61.8 2.3 25.0 293 293 A S S < S- 0 0 28 -3,-1.5 3,-0.5 1,-0.0 4,-0.3 -0.902 73.5-128.6-135.6 165.9 64.3 1.2 27.5 294 294 A E S > S+ 0 0 106 -2,-0.3 4,-1.4 1,-0.2 3,-0.3 0.427 94.0 89.0 -89.9 -1.4 64.5 0.0 31.1 295 295 A E H > S+ 0 0 103 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.826 79.9 61.5 -63.4 -32.2 67.2 2.7 31.8 296 296 A L H > S+ 0 0 0 -3,-0.5 4,-1.8 -6,-0.4 -1,-0.2 0.882 104.4 47.6 -60.0 -43.1 64.4 5.0 32.7 297 297 A D H > S+ 0 0 48 -3,-0.3 4,-2.1 -4,-0.3 -1,-0.2 0.824 108.8 53.4 -72.3 -29.3 63.4 2.7 35.5 298 298 A R H X S+ 0 0 141 -4,-1.4 4,-2.3 2,-0.2 5,-0.2 0.920 108.1 51.0 -70.7 -39.2 66.9 2.4 36.8 299 299 A V H X S+ 0 0 12 -4,-2.1 4,-2.0 1,-0.2 -222,-0.2 0.934 113.2 45.3 -61.3 -47.8 67.3 6.2 37.0 300 300 A L H X S+ 0 0 8 -4,-1.8 4,-2.5 2,-0.2 -221,-0.3 0.867 110.9 52.6 -65.5 -38.2 64.0 6.5 38.9 301 301 A D H X S+ 0 0 92 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.934 114.2 42.9 -61.4 -49.1 64.9 3.6 41.3 302 302 A E H X S+ 0 0 115 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.821 113.0 53.5 -66.6 -34.3 68.2 5.2 42.2 303 303 A G H X S+ 0 0 7 -4,-2.0 4,-2.1 -226,-0.2 -2,-0.2 0.891 109.8 46.2 -69.9 -40.4 66.6 8.6 42.4 304 304 A A H X S+ 0 0 7 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.859 109.2 57.6 -70.1 -29.7 64.0 7.4 44.9 305 305 A E H X S+ 0 0 117 -4,-1.7 4,-1.6 -5,-0.2 -2,-0.2 0.934 110.7 40.8 -64.2 -46.1 66.7 5.6 46.9 306 306 A K H X S+ 0 0 63 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.902 115.9 50.6 -68.2 -45.0 68.7 8.8 47.4 307 307 A A H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 5,-0.3 0.902 108.6 52.8 -61.6 -40.8 65.6 10.9 48.1 308 308 A N H X S+ 0 0 48 -4,-2.7 4,-2.3 2,-0.2 5,-0.3 0.914 106.6 52.9 -61.2 -42.8 64.4 8.4 50.7 309 309 A R H X S+ 0 0 139 -4,-1.6 4,-0.8 -5,-0.2 -2,-0.2 0.949 117.2 37.0 -57.4 -51.3 67.7 8.5 52.5 310 310 A V H X S+ 0 0 45 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.927 120.7 44.6 -67.8 -48.5 67.6 12.3 52.8 311 311 A A H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -3,-0.2 0.827 108.5 53.6 -67.9 -39.5 63.8 12.7 53.4 312 312 A S H X S+ 0 0 56 -4,-2.3 4,-1.5 -5,-0.3 -1,-0.2 0.794 109.0 52.2 -70.2 -24.6 63.2 10.0 55.9 313 313 A E H X S+ 0 0 75 -4,-0.8 4,-2.3 -5,-0.3 -2,-0.2 0.915 109.0 48.5 -77.2 -39.3 66.0 11.5 58.1 314 314 A M H X S+ 0 0 8 -4,-1.7 4,-2.5 -179,-0.2 -2,-0.2 0.923 110.5 52.5 -63.5 -40.1 64.3 14.9 57.9 315 315 A V H X S+ 0 0 3 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.878 107.8 50.9 -60.4 -41.7 61.0 13.2 58.8 316 316 A R H X S+ 0 0 71 -4,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.932 110.5 49.3 -62.4 -42.1 62.7 11.6 61.8 317 317 A K H X S+ 0 0 90 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.898 111.6 49.4 -63.6 -41.0 64.0 15.1 62.8 318 318 A M H X S+ 0 0 1 -4,-2.5 4,-2.0 2,-0.2 6,-0.2 0.885 110.8 48.3 -64.7 -44.3 60.5 16.5 62.5 319 319 A E H X>S+ 0 0 28 -4,-2.6 4,-2.3 2,-0.2 5,-1.6 0.907 109.7 53.4 -65.3 -37.8 58.9 13.8 64.6 320 320 A Q H <5S+ 0 0 76 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.911 110.1 48.2 -64.0 -36.4 61.6 14.3 67.2 321 321 A A H <5S+ 0 0 36 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.864 117.8 39.6 -69.7 -39.0 60.7 18.0 67.3 322 322 A M H <5S- 0 0 49 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.702 112.2-116.4 -84.0 -21.7 57.0 17.4 67.6 323 323 A G T <5 + 0 0 60 -4,-2.3 -3,-0.2 1,-0.2 -4,-0.1 0.559 57.6 157.6 98.0 10.9 57.2 14.5 70.0 324 324 A L < - 0 0 81 -5,-1.6 -1,-0.2 -6,-0.2 -2,-0.1 -0.345 53.4 -17.5 -67.1 152.1 55.8 11.9 67.6 325 325 A G S S- 0 0 70 -2,-0.1 2,-0.3 2,-0.0 3,-0.0 -0.289 102.5 -41.3 59.2-138.9 56.5 8.2 68.0 326 326 A R - 0 0 216 1,-0.0 2,-0.1 -2,-0.0 -3,-0.1 -0.806 64.2 -81.7-126.2 165.5 59.4 7.1 70.2 327 327 A R 0 0 206 -2,-0.3 -2,-0.0 1,-0.1 -1,-0.0 -0.452 360.0 360.0 -66.4 137.8 63.0 8.2 70.7 328 328 A R 0 0 199 -2,-0.1 -1,-0.1 -12,-0.1 -8,-0.0 -0.610 360.0 360.0-126.3 360.0 65.2 6.7 68.0