==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 17-APR-02 1LI7 . COMPND 2 MOLECULE: CYSTEINYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.J.NEWBERRY,Y.-M.HOU,J.J.PERONA . 763 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30202.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 552 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 1 0.1 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 . 49 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 289 37.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.4 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 3 1 0 1 0 3 1 0 4 3 0 0 1 3 2 1 1 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 1 3 0 0 3 0 1 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 . 4 1 5 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 ANTIPARALLEL BRIDGES PER LADDER . 2 4 0 2 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 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 0 118 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 169.2 62.7 100.5 61.1 2 2 A L - 0 0 8 13,-0.1 13,-2.7 331,-0.1 2,-0.4 -0.431 360.0-172.9 -63.0 126.7 65.7 98.5 59.9 3 3 A K E -Ab 14 333A 75 329,-4.1 331,-1.6 11,-0.3 2,-0.4 -0.988 5.3-159.3-124.4 136.3 65.1 97.6 56.2 4 4 A I E -A 13 0A 0 9,-2.6 9,-1.7 -2,-0.4 2,-0.5 -0.968 21.6-123.9-121.4 127.7 67.4 95.2 54.4 5 5 A F E -A 12 0A 44 -2,-0.4 2,-0.7 7,-0.3 7,-0.3 -0.584 31.5-154.1 -68.1 118.3 67.8 95.0 50.6 6 6 A N E >>> -A 11 0A 3 5,-3.0 4,-1.6 -2,-0.5 3,-1.6 -0.872 12.8-157.7-101.9 112.7 67.1 91.3 50.0 7 7 A T T 345S+ 0 0 18 232,-2.2 3,-0.2 -2,-0.7 -1,-0.2 0.879 93.3 64.6 -53.5 -39.5 68.7 89.9 46.9 8 8 A L T 345S+ 0 0 48 1,-0.2 -1,-0.3 231,-0.2 230,-0.1 0.811 120.6 21.2 -55.8 -31.1 66.1 87.2 46.8 9 9 A T T <45S- 0 0 43 -3,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.367 100.0-130.3-117.6 0.5 63.4 89.9 46.2 10 10 A R T <5S+ 0 0 54 -4,-1.6 2,-0.3 -3,-0.2 -3,-0.2 0.834 75.3 84.1 51.1 40.0 65.7 92.6 44.8 11 11 A Q E S-C 22 0B 116 3,-0.5 3,-2.0 0, 0.0 -1,-0.2 -0.999 104.2 -97.0-131.3 131.8 62.5 84.5 66.7 20 20 A A T 3 S+ 0 0 97 -2,-0.4 3,-0.1 1,-0.3 -2,-0.1 -0.151 103.2 1.1 -51.5 131.2 61.9 87.8 68.7 21 21 A G T 3 S+ 0 0 35 1,-0.2 39,-3.6 38,-0.1 2,-0.4 0.601 113.4 98.8 67.6 12.3 65.1 89.5 69.8 22 22 A E E < -Cd 19 60B 110 -3,-2.0 -3,-0.5 37,-0.2 2,-0.4 -0.975 48.1-171.4-133.0 146.2 67.3 87.0 68.1 23 23 A V E - d 0 61B 5 37,-2.2 39,-2.8 -2,-0.4 2,-0.5 -0.998 8.8-160.0-139.2 135.5 69.2 86.9 64.8 24 24 A G E - d 0 62B 10 -2,-0.4 184,-2.3 37,-0.2 2,-0.4 -0.964 20.4-179.9-113.2 123.7 71.1 84.1 63.1 25 25 A M E -ed 208 63B 0 37,-2.7 39,-3.7 -2,-0.5 2,-0.5 -0.983 14.3-172.4-133.0 139.2 73.6 85.2 60.4 26 26 A Y E -ed 209 64B 0 182,-2.2 184,-3.3 -2,-0.4 2,-0.4 -0.990 4.5-177.7-128.1 124.8 76.0 83.4 58.1 27 27 A V E -ed 210 65B 0 37,-2.4 39,-1.0 -2,-0.5 2,-0.3 -0.916 30.1-117.5-113.3 150.3 78.5 85.0 55.9 28 28 A C E - 0 0 2 182,-1.0 184,-0.1 -2,-0.4 39,-0.1 -0.669 39.8-168.4 -85.0 144.8 80.8 83.1 53.5 29 29 A G E - 0 0 2 -2,-0.3 2,-0.4 1,-0.2 38,-0.2 0.126 22.4 -45.3-111.6-136.7 84.3 83.6 54.4 30 30 A I E - d 0 67B 6 36,-0.8 38,-3.5 35,-0.1 2,-0.7 -0.709 28.4-130.2-118.0 154.8 87.4 83.0 53.1 31 31 A T E > - d 0 68B 27 737,-0.8 2,-1.5 -2,-0.4 3,-0.7 -0.800 30.2-139.5 -85.0 125.9 89.3 80.4 51.3 32 32 A V T 3 S+ 0 0 3 36,-2.0 60,-0.2 -2,-0.7 61,-0.1 -0.635 73.4 95.9 -88.9 78.5 92.4 80.1 53.1 33 33 A Y T 3 S+ 0 0 85 -2,-1.5 2,-0.3 1,-0.5 -1,-0.2 0.435 88.5 16.5-135.6 -18.6 95.0 79.8 50.2 34 34 A D S < S- 0 0 51 -3,-0.7 -1,-0.5 58,-0.1 3,-0.1 -0.989 94.1 -76.7-155.5 155.0 96.2 83.3 49.7 35 35 A L - 0 0 48 -2,-0.3 61,-0.1 1,-0.1 57,-0.0 -0.293 59.5-105.4 -54.8 135.0 96.2 86.7 51.6 36 36 A C - 0 0 2 225,-0.1 226,-2.2 1,-0.1 227,-0.4 -0.344 35.5-135.0 -63.7 141.3 92.7 88.3 51.4 37 37 A H B >> -I 261 0C 49 224,-0.3 4,-1.9 225,-0.1 3,-0.6 -0.394 32.3 -88.4 -91.9 175.7 92.5 91.2 49.0 38 38 A I H 3> S+ 0 0 8 222,-2.6 4,-1.9 1,-0.2 223,-0.1 0.636 125.3 58.3 -58.4 -17.9 90.8 94.6 49.6 39 39 A G H 3> S+ 0 0 6 221,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.897 105.1 48.6 -77.7 -43.0 87.5 93.3 48.2 40 40 A H H <> S+ 0 0 45 -3,-0.6 4,-2.3 1,-0.2 -2,-0.2 0.900 111.3 53.0 -60.8 -39.9 87.4 90.6 50.8 41 41 A G H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.951 107.3 49.4 -60.4 -50.4 88.2 93.2 53.4 42 42 A R H X S+ 0 0 3 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.960 110.9 51.6 -53.3 -53.1 85.4 95.4 52.3 43 43 A T H X S+ 0 0 9 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.889 113.6 42.5 -52.3 -45.5 83.0 92.5 52.5 44 44 A F H X S+ 0 0 3 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.815 112.6 50.4 -78.7 -26.6 84.0 91.5 56.0 45 45 A V H X S+ 0 0 1 -4,-2.6 4,-1.8 -5,-0.2 -1,-0.2 0.885 110.6 55.8 -72.2 -34.3 84.1 95.1 57.4 46 46 A A H X S+ 0 0 13 -4,-2.7 4,-1.7 -5,-0.3 -2,-0.2 0.935 112.1 37.5 -61.7 -51.3 80.6 95.4 55.8 47 47 A F H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.735 109.6 63.5 -76.4 -17.7 79.1 92.4 57.6 48 48 A D H X S+ 0 0 3 -4,-1.2 4,-2.3 2,-0.2 -1,-0.2 0.895 105.9 46.0 -68.7 -37.2 81.0 93.3 60.7 49 49 A V H X S+ 0 0 3 -4,-1.8 4,-3.2 2,-0.2 5,-0.2 0.896 109.6 53.4 -70.0 -39.8 79.0 96.5 60.7 50 50 A V H X S+ 0 0 2 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.941 111.4 47.0 -59.2 -45.0 75.8 94.6 60.1 51 51 A A H X S+ 0 0 2 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.918 113.6 47.3 -62.9 -44.5 76.6 92.5 63.1 52 52 A R H X S+ 0 0 30 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.906 112.0 50.0 -65.1 -41.2 77.5 95.5 65.3 53 53 A Y H X S+ 0 0 0 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.885 107.3 53.4 -66.0 -38.1 74.4 97.3 64.3 54 54 A L H X>S+ 0 0 0 -4,-2.2 5,-2.3 -5,-0.2 4,-0.7 0.876 112.2 45.4 -64.2 -36.2 72.1 94.4 65.1 55 55 A R H <5S+ 0 0 90 -4,-1.6 -1,-0.2 3,-0.2 -2,-0.2 0.825 108.9 57.2 -74.8 -31.8 73.6 94.1 68.6 56 56 A F H <5S+ 0 0 53 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.924 104.6 51.1 -63.4 -44.8 73.3 97.9 68.9 57 57 A L H <5S- 0 0 69 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.741 127.0-101.2 -65.9 -22.4 69.5 97.7 68.3 58 58 A G T <5S+ 0 0 59 -4,-0.7 -3,-0.2 1,-0.3 2,-0.2 0.492 71.1 143.9 116.6 3.9 69.3 95.0 70.9 59 59 A Y < - 0 0 49 -5,-2.3 2,-1.0 1,-0.1 -1,-0.3 -0.526 53.4-126.2 -76.5 141.3 69.1 91.7 69.0 60 60 A K E -d 22 0B 63 -39,-3.6 -37,-2.2 -2,-0.2 2,-0.4 -0.805 41.6-159.7 -86.2 107.5 70.9 88.7 70.5 61 61 A L E -d 23 0B 15 -2,-1.0 2,-0.6 -39,-0.2 -37,-0.2 -0.767 26.2-166.8-101.5 137.0 73.0 87.8 67.5 62 62 A K E -d 24 0B 90 -39,-2.8 -37,-2.7 -2,-0.4 2,-0.6 -0.949 18.3-169.5-117.2 105.5 74.7 84.6 66.5 63 63 A Y E -d 25 0B 4 -2,-0.6 46,-2.5 -39,-0.2 47,-1.6 -0.872 3.8-171.5-103.7 121.1 77.1 85.4 63.7 64 64 A V E +df 26 110B 0 -39,-3.7 -37,-2.4 -2,-0.6 2,-0.4 -0.954 9.0 172.7-116.6 125.4 78.7 82.5 61.8 65 65 A R E -d 27 0B 1 45,-1.9 -37,-0.2 -2,-0.5 -35,-0.1 -0.954 20.8-148.8-132.6 110.3 81.5 83.0 59.3 66 66 A N E - 0 0 1 -39,-1.0 -36,-0.8 -2,-0.4 2,-0.4 0.001 7.0-133.7 -73.7 178.8 83.2 79.9 57.9 67 67 A I E -dg 30 113B 3 45,-1.7 47,-1.5 -38,-0.2 2,-0.8 -0.991 20.0-130.8-135.9 120.8 86.7 79.2 56.7 68 68 A T E +d 31 0B 0 -38,-3.5 -36,-2.0 -2,-0.4 3,-0.1 -0.682 29.1 177.5 -80.9 111.3 87.1 77.3 53.4 69 69 A D + 0 0 0 -2,-0.8 2,-0.4 1,-0.2 -1,-0.2 0.672 59.4 27.1 -90.1 -24.7 89.6 74.6 54.2 70 70 A I + 0 0 7 4,-0.1 2,-0.3 19,-0.0 119,-0.3 -0.990 58.7 135.6-152.1 139.9 89.8 72.7 51.0 71 71 A D > - 0 0 36 -2,-0.4 4,-1.6 -3,-0.1 3,-0.5 -0.890 65.6 -92.8-166.5 158.5 89.3 73.5 47.5 72 72 A D H > S+ 0 0 101 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.930 122.3 60.1 -44.5 -59.3 91.4 72.6 44.5 73 73 A K H > S+ 0 0 35 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.848 106.0 47.3 -42.4 -49.3 93.4 75.8 44.7 74 74 A I H > S+ 0 0 0 -3,-0.5 4,-2.6 1,-0.2 -1,-0.2 0.934 114.6 43.8 -60.7 -52.8 94.8 74.9 48.4 75 75 A I H X S+ 0 0 14 -4,-1.6 4,-1.3 1,-0.2 -1,-0.2 0.808 114.3 53.5 -64.4 -29.2 95.8 71.4 47.7 76 76 A K H X S+ 0 0 47 -4,-2.3 4,-1.9 -5,-0.3 -2,-0.2 0.954 110.1 44.5 -71.2 -50.0 97.3 72.6 44.5 77 77 A R H X S+ 0 0 85 -4,-2.5 4,-1.6 1,-0.2 6,-0.2 0.906 110.3 56.4 -60.4 -42.7 99.4 75.3 46.1 78 78 A A H <>S+ 0 0 0 -4,-2.6 5,-3.5 1,-0.2 -1,-0.2 0.861 110.1 44.2 -58.5 -38.8 100.6 72.9 48.8 79 79 A N H ><5S+ 0 0 86 -4,-1.3 3,-1.1 3,-0.2 -1,-0.2 0.852 110.0 52.3 -77.7 -35.3 101.9 70.4 46.4 80 80 A E H 3<5S+ 0 0 170 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.787 116.7 41.1 -70.7 -27.5 103.7 72.8 44.0 81 81 A N T 3<5S- 0 0 114 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.167 112.6-123.9-102.8 15.0 105.5 74.3 47.0 82 82 A G T < 5 + 0 0 71 -3,-1.1 2,-0.3 1,-0.2 -3,-0.2 0.806 62.5 142.5 45.7 40.2 106.0 70.8 48.4 83 83 A E < - 0 0 63 -5,-3.5 2,-0.3 -6,-0.2 -1,-0.2 -0.727 58.0 -96.5-108.9 159.5 104.3 71.8 51.7 84 84 A S > - 0 0 30 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.555 27.0-135.4 -75.1 132.4 102.0 69.9 53.9 85 85 A F H > S+ 0 0 30 -2,-0.3 4,-2.1 2,-0.2 5,-0.2 0.942 103.5 42.3 -49.4 -59.9 98.2 70.5 53.4 86 86 A V H > S+ 0 0 62 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.930 115.3 49.7 -56.0 -50.2 97.3 70.9 57.0 87 87 A A H > S+ 0 0 48 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.850 109.4 53.8 -59.8 -34.9 100.4 72.9 57.9 88 88 A M H X S+ 0 0 4 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.922 111.2 42.9 -68.0 -44.3 99.6 75.2 54.9 89 89 A V H X S+ 0 0 1 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.897 111.1 54.3 -70.9 -39.1 96.1 76.0 56.0 90 90 A D H X S+ 0 0 48 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.920 112.2 45.6 -59.2 -42.2 96.9 76.5 59.7 91 91 A R H X S+ 0 0 110 -4,-1.7 4,-1.8 -5,-0.2 -1,-0.2 0.917 114.4 47.5 -67.1 -42.8 99.5 79.0 58.6 92 92 A M H X S+ 0 0 20 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.854 109.2 54.3 -67.2 -35.0 97.2 80.7 56.2 93 93 A I H X S+ 0 0 21 -4,-3.0 4,-2.7 2,-0.2 -1,-0.2 0.935 111.2 44.3 -64.5 -45.3 94.4 80.8 58.8 94 94 A A H X S+ 0 0 61 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.836 113.9 52.0 -66.4 -32.6 96.6 82.6 61.3 95 95 A E H X S+ 0 0 61 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.904 109.9 49.4 -68.5 -41.8 97.8 84.8 58.5 96 96 A M H X S+ 0 0 10 -4,-2.8 4,-2.3 1,-0.2 3,-0.4 0.957 107.4 52.7 -62.0 -53.6 94.1 85.6 57.7 97 97 A H H X S+ 0 0 28 -4,-2.7 4,-3.5 1,-0.2 5,-0.3 0.864 103.2 59.8 -51.6 -40.3 93.2 86.4 61.3 98 98 A K H X S+ 0 0 48 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.942 108.4 42.8 -55.3 -50.7 96.1 88.9 61.5 99 99 A D H X S+ 0 0 2 -4,-1.4 4,-2.1 -3,-0.4 -2,-0.2 0.940 116.7 47.2 -61.8 -48.9 94.7 91.0 58.6 100 100 A F H <>S+ 0 0 2 -4,-2.3 5,-2.4 1,-0.2 -2,-0.2 0.939 111.4 50.5 -58.3 -49.4 91.1 90.8 59.9 101 101 A D H ><5S+ 0 0 75 -4,-3.5 3,-1.7 1,-0.2 -1,-0.2 0.898 108.0 53.8 -57.4 -41.3 92.1 91.7 63.4 102 102 A A H 3<5S+ 0 0 42 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.922 104.7 52.9 -60.0 -44.2 94.0 94.7 62.1 103 103 A L T 3<5S- 0 0 2 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.373 118.2-118.4 -72.8 8.2 90.9 95.9 60.3 104 104 A N T < 5 + 0 0 52 -3,-1.7 2,-0.7 1,-0.2 -3,-0.2 0.852 56.1 163.0 57.1 36.7 89.2 95.6 63.6 105 105 A I < - 0 0 4 -5,-2.4 -1,-0.2 -6,-0.1 -2,-0.1 -0.787 38.4-125.4 -87.0 115.8 86.8 93.0 62.2 106 106 A L - 0 0 77 -2,-0.7 -1,-0.0 -3,-0.1 -54,-0.0 -0.254 26.6-102.3 -62.0 146.7 85.3 91.3 65.3 107 107 A R - 0 0 122 1,-0.1 -1,-0.1 2,-0.1 -44,-0.1 -0.426 38.9-110.6 -69.1 142.6 85.5 87.5 65.4 108 108 A P - 0 0 14 0, 0.0 -44,-0.2 0, 0.0 3,-0.2 -0.164 23.7-114.7 -65.2 168.1 82.3 85.6 64.5 109 109 A D S S+ 0 0 79 -46,-2.5 2,-0.4 1,-0.3 -45,-0.2 0.848 106.2 17.8 -73.0 -32.6 80.5 83.8 67.3 110 110 A M B -f 64 0B 77 -47,-1.6 -45,-1.9 2,-0.0 -1,-0.3 -0.999 61.9-174.2-140.1 136.0 81.4 80.6 65.4 111 111 A E - 0 0 47 -2,-0.4 -45,-0.1 -47,-0.2 -47,-0.1 -0.533 19.1-175.0-130.5 66.7 84.1 80.1 62.7 112 112 A P - 0 0 11 0, 0.0 -45,-1.7 0, 0.0 2,-0.4 -0.228 13.6-141.9 -64.4 149.3 83.6 76.5 61.5 113 113 A R B > -g 67 0B 49 -47,-0.2 3,-1.9 1,-0.1 4,-0.4 -0.908 17.6-125.1-115.0 141.9 86.0 74.9 58.9 114 114 A A G > S+ 0 0 0 -47,-1.5 3,-2.0 -2,-0.4 7,-0.2 0.867 110.3 60.5 -48.8 -44.2 85.0 72.6 56.1 115 115 A T G > S+ 0 0 34 1,-0.3 3,-0.5 2,-0.2 -1,-0.3 0.752 102.4 53.2 -58.7 -25.2 87.5 70.0 57.3 116 116 A H G < S+ 0 0 119 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.462 106.8 53.0 -90.4 -0.5 85.6 69.8 60.6 117 117 A H G <> + 0 0 15 -3,-2.0 4,-2.5 -4,-0.4 5,-0.2 0.051 61.0 117.8-124.6 29.1 82.3 69.2 59.0 118 118 A I H <> S+ 0 0 23 -3,-0.5 4,-3.1 1,-0.2 5,-0.2 0.912 78.1 59.0 -58.9 -41.1 82.8 66.2 56.7 119 119 A A H > S+ 0 0 71 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.945 110.7 38.7 -54.2 -53.1 80.3 64.4 58.8 120 120 A E H > S+ 0 0 67 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.839 113.6 55.5 -69.3 -31.4 77.5 66.9 58.2 121 121 A I H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.939 111.0 46.4 -63.7 -42.1 78.5 67.3 54.6 122 122 A I H X S+ 0 0 15 -4,-3.1 4,-2.4 2,-0.2 -2,-0.2 0.928 112.5 49.3 -63.4 -47.8 78.1 63.5 54.2 123 123 A E H X S+ 0 0 53 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.959 111.6 47.9 -57.0 -54.3 74.8 63.5 56.0 124 124 A L H X S+ 0 0 11 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.896 110.9 53.3 -54.4 -41.3 73.4 66.3 53.8 125 125 A T H X S+ 0 0 0 -4,-2.1 4,-1.5 -5,-0.2 -1,-0.2 0.903 108.0 49.4 -61.7 -42.2 74.7 64.5 50.8 126 126 A E H X S+ 0 0 99 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.859 108.3 53.6 -66.3 -36.0 72.9 61.3 51.8 127 127 A Q H X S+ 0 0 32 -4,-2.2 4,-2.5 1,-0.2 6,-0.2 0.907 107.6 51.2 -65.9 -39.9 69.6 63.2 52.3 128 128 A L H <>S+ 0 0 0 -4,-2.0 5,-1.9 2,-0.2 6,-1.0 0.817 112.9 44.8 -67.0 -31.5 69.8 64.7 48.8 129 129 A I H ><5S+ 0 0 59 -4,-1.5 3,-1.3 4,-0.2 -2,-0.2 0.907 111.9 52.9 -76.8 -42.4 70.3 61.3 47.3 130 130 A A H 3<5S+ 0 0 85 -4,-2.7 -2,-0.2 1,-0.3 2,-0.2 0.905 109.0 51.1 -57.2 -43.3 67.6 59.8 49.4 131 131 A K T 3<5S- 0 0 115 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.1 -0.083 119.5-102.7 -88.9 34.0 65.2 62.5 48.2 132 132 A G T < 5S+ 0 0 54 -3,-1.3 -3,-0.2 -2,-0.2 -2,-0.1 0.468 95.1 104.8 65.0 3.8 65.7 62.1 44.5 133 133 A H S - 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0 0 8 -3,-2.9 3,-1.5 -4,-0.2 -1,-0.1 -0.774 53.9-173.1-110.4 97.4 65.1 71.3 41.6 150 150 A P T 3 S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.710 86.7 49.9 -46.7 -36.0 62.0 73.5 40.9 151 151 A T T > S+ 0 0 69 74,-0.1 3,-1.2 73,-0.1 2,-0.4 -0.071 78.4 144.9-102.1 33.6 63.5 76.6 42.5 152 152 A Y T < + 0 0 48 -3,-1.5 6,-0.3 1,-0.2 70,-0.1 -0.571 69.2 11.5 -82.0 132.5 66.8 76.6 40.6 153 153 A G T 3> S+ 0 0 4 -2,-0.4 4,-2.9 68,-0.2 5,-0.5 0.583 85.9 130.8 84.3 10.9 68.3 79.9 39.7 154 154 A V T <4 + 0 0 56 -3,-1.2 -2,-0.1 2,-0.2 67,-0.1 0.905 67.8 51.3 -62.4 -43.8 65.8 81.7 42.0 155 155 A L T 4 S+ 0 0 4 -4,-0.3 -1,-0.2 1,-0.2 62,-0.1 0.899 127.6 22.3 -62.1 -43.3 68.5 83.8 43.8 156 156 A S T 4 S- 0 0 35 60,-0.1 -2,-0.2 -148,-0.0 -1,-0.2 0.649 104.9-128.2 -97.4 -19.3 70.1 85.0 40.5 157 157 A R < 0 0 165 -4,-2.9 -3,-0.2 1,-0.0 -4,-0.1 0.926 360.0 360.0 65.9 94.1 67.1 84.5 38.3 158 158 A Q 0 0 124 -5,-0.5 -5,-0.1 -6,-0.3 -4,-0.1 0.355 360.0 360.0-144.9 360.0 68.3 82.5 35.3 159 ! 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 0.0 160 175 A K 0 0 92 0, 0.0 -15,-0.0 0, 0.0 6,-0.0 0.000 360.0 360.0 360.0 -38.6 77.6 65.2 33.9 161 176 A R + 0 0 171 1,-0.3 -16,-0.1 2,-0.0 -24,-0.0 0.932 360.0 22.4 -71.5 -47.7 74.0 64.2 33.1 162 177 A N S > S- 0 0 41 1,-0.1 3,-2.1 0, 0.0 -1,-0.3 -0.986 84.8-127.1-122.1 129.0 72.9 67.8 32.8 163 178 A P T 3 S+ 0 0 129 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.623 109.4 55.5 -50.0 -15.2 75.6 70.5 32.0 164 179 A M T 3 S+ 0 0 103 2,-0.1 -19,-0.0 -4,-0.0 -3,-0.0 0.719 79.2 112.9 -92.6 -23.0 74.5 72.4 35.1 165 180 A D < - 0 0 14 -3,-2.1 2,-0.3 1,-0.1 -20,-0.2 -0.120 52.6-157.0 -49.1 145.0 74.8 69.6 37.6 166 181 A F E -K 144 0D 18 -22,-0.9 -22,-2.7 56,-0.1 2,-0.2 -0.915 20.4 -92.2-130.4 156.1 77.6 70.2 40.2 167 182 A V E +K 143 0D 42 -2,-0.3 25,-0.4 -24,-0.2 -24,-0.2 -0.418 32.2 171.6 -69.1 134.9 79.8 68.1 42.5 168 183 A L E S+ 0 0 0 -26,-2.9 2,-0.3 1,-0.3 -25,-0.2 0.671 81.8 12.6-107.5 -36.0 78.6 67.4 46.0 169 184 A W E S-K 142 0D 0 -27,-1.7 -27,-2.5 20,-0.1 2,-0.4 -0.940 73.5-157.0-147.8 119.7 81.4 64.9 46.7 170 185 A K E -L 187 0E 19 17,-2.0 17,-2.2 18,-0.4 2,-0.1 -0.811 23.1-116.4-103.1 137.3 84.5 64.4 44.6 171 186 A M E -L 186 0E 50 -2,-0.4 15,-0.3 15,-0.2 2,-0.2 -0.435 38.6-117.2 -65.9 138.4 86.6 61.2 44.5 172 187 A S - 0 0 29 13,-2.5 2,-0.2 7,-0.1 13,-0.1 -0.508 23.1-145.8 -81.1 148.9 90.1 62.0 45.7 173 188 A K > - 0 0 156 4,-0.2 3,-1.2 -2,-0.2 2,-0.2 -0.615 38.1 -77.2-104.8 167.8 93.1 61.6 43.4 174 189 A E T 3 S+ 0 0 107 1,-0.2 -1,-0.1 -2,-0.2 0, 0.0 -0.469 117.6 31.4 -66.9 133.9 96.6 60.5 44.5 175 190 A G T 3 S+ 0 0 47 1,-0.3 -1,-0.2 -2,-0.2 -96,-0.0 0.562 102.1 91.7 97.2 9.0 98.5 63.3 46.2 176 191 A E S < S- 0 0 34 -3,-1.2 -1,-0.3 1,-0.1 -4,-0.0 -0.955 79.7 -92.6-137.3 155.7 95.5 65.0 47.8 177 192 A P + 0 0 27 0, 0.0 2,-0.3 0, 0.0 -4,-0.2 -0.087 47.4 175.2 -56.7 163.3 93.6 65.0 51.2 178 193 A S - 0 0 24 -6,-0.1 9,-0.2 313,-0.1 313,-0.1 -0.958 21.8-149.1-169.8 154.9 90.5 62.7 51.4 179 194 A W B -M 186 0E 49 7,-2.4 7,-2.0 -2,-0.3 -7,-0.1 -0.971 31.5-104.5-132.2 145.5 87.9 61.4 53.8 180 195 A P + 0 0 80 0, 0.0 5,-0.1 0, 0.0 310,-0.0 -0.315 47.9 162.4 -65.9 150.8 86.0 58.1 53.9 181 196 A S > - 0 0 25 -59,-0.0 3,-2.8 0, 0.0 -62,-0.0 -0.972 56.3 -95.3-165.0 158.8 82.4 58.2 52.7 182 197 A P T 3 S+ 0 0 90 0, 0.0 3,-0.1 0, 0.0 -60,-0.0 0.552 126.8 48.0 -57.9 -4.4 79.7 55.9 51.5 183 198 A W T 3 S- 0 0 43 1,-0.5 2,-0.2 -41,-0.0 -14,-0.0 0.268 122.8 -90.5-120.5 9.8 80.9 56.8 48.0 184 199 A G < - 0 0 30 -3,-2.8 -1,-0.5 301,-0.1 2,-0.3 -0.483 68.2 -28.1 108.9 177.6 84.6 56.3 48.4 185 200 A A S S+ 0 0 11 -2,-0.2 -13,-2.5 -5,-0.1 2,-0.3 -0.522 84.3 122.4 -69.9 129.0 87.6 58.4 49.4 186 201 A G E -LM 171 179E 0 -7,-2.0 -7,-2.4 -15,-0.3 -15,-0.2 -0.955 50.3-100.5-167.6-173.9 86.9 62.1 48.6 187 202 A R E -L 170 0E 29 -17,-2.2 -17,-2.0 -2,-0.3 -9,-0.0 -0.728 34.9-104.7-122.1 168.0 86.5 65.7 49.3 188 203 A P - 0 0 2 0, 0.0 -18,-0.4 0, 0.0 -1,-0.2 0.967 30.3-127.1 -57.4-102.8 83.6 68.2 49.8 189 204 A G - 0 0 33 -119,-0.3 2,-1.4 -20,-0.1 -22,-0.1 0.261 29.2-112.4 164.2 -14.1 82.8 70.6 47.0 190 205 A W S > S+ 0 0 71 1,-0.2 4,-1.6 -22,-0.1 -22,-0.1 -0.517 113.2 53.2 93.5 -70.8 82.7 74.2 48.3 191 206 A H H > S+ 0 0 24 -2,-1.4 4,-1.5 -24,-0.2 -1,-0.2 0.936 109.5 47.1 -67.3 -46.9 79.0 74.7 47.8 192 207 A I H > S+ 0 0 0 -25,-0.4 4,-2.1 1,-0.2 5,-0.3 0.933 104.2 67.3 -60.8 -37.1 78.1 71.6 49.8 193 208 A E H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.929 104.6 39.4 -46.5 -62.9 80.7 72.9 52.5 194 209 A C H X S+ 0 0 0 -4,-1.6 4,-2.7 1,-0.2 5,-0.3 0.918 110.9 56.0 -59.6 -43.8 78.6 76.0 53.5 195 210 A S H X S+ 0 0 0 -4,-1.5 4,-1.4 1,-0.2 -1,-0.2 0.907 112.2 44.5 -54.2 -42.8 75.1 74.3 53.4 196 211 A A H X S+ 0 0 1 -4,-2.1 4,-0.8 1,-0.2 -1,-0.2 0.909 114.3 47.7 -69.2 -44.0 76.3 71.7 55.9 197 212 A M H X S+ 0 0 0 -4,-1.9 4,-1.7 -5,-0.3 3,-0.3 0.907 111.5 46.5 -68.6 -44.1 78.1 74.0 58.2 198 213 A N H X>S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 5,-0.7 0.929 106.0 57.6 -71.1 -37.9 75.4 76.8 58.7 199 214 A C H X5S+ 0 0 29 -4,-1.4 4,-0.6 -5,-0.3 -1,-0.2 0.801 110.9 46.1 -58.9 -26.8 72.4 74.3 59.3 200 215 A K H <5S+ 0 0 57 -4,-0.8 -1,-0.2 -3,-0.3 -2,-0.2 0.887 120.5 36.5 -80.5 -42.3 74.3 72.9 62.2 201 216 A Q H <5S+ 0 0 33 -4,-1.7 -2,-0.2 1,-0.1 -3,-0.2 0.719 138.5 15.9 -83.7 -21.7 75.3 76.3 63.7 202 217 A L H <5S- 0 0 26 -4,-3.1 -3,-0.2 -5,-0.2 3,-0.2 0.505 107.6-107.8-128.5 -11.8 72.1 78.1 62.9 203 218 A G << - 0 0 30 -5,-0.7 -3,-0.1 -4,-0.6 -1,-0.1 -0.124 44.2 -69.5 98.2 160.3 69.5 75.5 62.1 204 219 A N S S+ 0 0 73 -5,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.770 126.5 43.7 -57.6 -25.6 67.9 74.6 58.7 205 220 A H S S+ 0 0 53 -3,-0.2 2,-0.3 -6,-0.1 31,-0.2 -0.983 72.5 157.4-127.4 122.6 66.1 78.0 58.8 206 221 A F E - h 0 236B 4 29,-1.8 31,-1.4 -2,-0.4 32,-0.3 -0.981 41.5-115.0-144.5 160.1 67.8 81.2 59.7 207 222 A D E S+ 0 0 7 -2,-0.3 31,-2.2 29,-0.2 2,-0.4 0.901 83.6 21.0 -58.0 -60.5 67.5 85.0 59.2 208 223 A I E -eh 25 238B 0 -184,-2.3 -182,-2.2 29,-0.2 2,-0.4 -0.939 47.5-174.4-125.0 140.1 70.4 86.4 57.2 209 224 A H E -eh 26 239B 0 29,-2.3 31,-2.7 -2,-0.4 -182,-0.2 -0.987 19.1-173.5-129.9 121.4 73.1 85.0 54.7 210 225 A G E +eh 27 240B 0 -184,-3.3 -182,-1.0 -2,-0.4 2,-0.2 -0.536 18.0 131.0-110.1 177.6 75.8 87.3 53.5 211 226 A G E - h 0 241B 0 29,-0.6 31,-1.4 -184,-0.2 -182,-0.1 -0.739 57.7 -65.8 154.2 159.8 78.7 87.2 51.0 212 227 A G E > - h 0 242B 3 29,-0.3 3,-1.8 -2,-0.2 4,-0.4 -0.266 51.3-107.7 -65.7 158.7 80.2 89.3 48.2 213 228 A S G > S+ 0 0 46 29,-2.7 3,-1.6 1,-0.3 4,-0.4 0.828 117.0 69.1 -56.5 -32.1 78.1 89.7 45.0 214 229 A D G 3 S+ 0 0 89 1,-0.3 -1,-0.3 28,-0.2 3,-0.2 0.789 94.5 56.0 -58.8 -27.3 80.5 87.3 43.3 215 230 A L G < >S+ 0 0 7 -3,-1.8 5,-3.2 1,-0.2 6,-0.4 0.622 82.3 90.5 -82.3 -11.4 79.2 84.5 45.4 216 231 A M T < >S+ 0 0 46 -3,-1.6 5,-1.4 -4,-0.4 -1,-0.2 0.923 87.3 41.7 -50.9 -61.1 75.5 84.9 44.4 217 232 A F T 5S+ 0 0 104 -4,-0.4 2,-0.4 -3,-0.2 -1,-0.2 -0.963 124.4 11.9-111.0 128.8 75.5 82.6 41.4 218 233 A P T >5S+ 0 0 46 0, 0.0 4,-3.6 0, 0.0 5,-0.3 -0.995 133.5 38.1 121.8 -86.0 77.3 79.3 41.7 219 234 A H H >5S+ 0 0 1 -2,-0.4 4,-1.8 1,-0.2 -3,-0.2 0.858 124.7 31.0 -36.9 -77.2 77.9 79.3 45.3 220 235 A H H >S+ 0 0 9 -4,-2.3 4,-2.7 1,-0.2 5,-0.6 0.938 111.4 53.3 -57.7 -45.4 69.8 77.2 48.2 225 240 A A H X5S+ 0 0 1 -4,-2.2 4,-1.5 -5,-0.2 -2,-0.2 0.950 115.8 37.3 -53.8 -55.3 69.6 74.2 45.8 226 241 A Q H <5S+ 0 0 0 -4,-2.8 -2,-0.2 2,-0.2 -1,-0.2 0.921 121.6 43.8 -64.3 -48.7 71.2 71.8 48.4 227 242 A S H >X5S+ 0 0 0 -4,-3.4 4,-1.0 -5,-0.2 3,-0.8 0.913 116.7 41.6 -67.4 -48.0 69.5 73.3 51.5 228 243 A T H 3<5S+ 0 0 39 -4,-2.7 5,-0.2 -5,-0.3 3,-0.2 0.872 118.9 45.1 -71.0 -36.5 66.0 73.7 50.3 229 244 A C T 3<>> - 0 0 27 -2,-0.3 5,-1.3 1,-0.1 4,-1.2 -0.952 46.6-139.5-160.7 136.5 94.0 91.6 38.8 254 269 A K G >45S+ 0 0 152 -2,-0.3 3,-0.8 1,-0.3 -1,-0.1 0.907 111.7 61.8 -59.6 -36.7 97.7 91.0 39.2 255 270 A S G 345S+ 0 0 106 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.857 110.3 38.3 -57.9 -33.7 97.7 90.9 35.4 256 271 A L G <45S- 0 0 108 -3,-0.7 -1,-0.3 -6,-0.0 -2,-0.2 0.529 106.0-123.9 -95.7 -5.5 96.5 94.5 35.4 257 272 A G T <<5S+ 0 0 64 -4,-1.2 -3,-0.2 -3,-0.8 -2,-0.1 0.732 85.5 104.3 71.6 20.8 98.6 95.8 38.3 258 273 A N < + 0 0 14 -5,-1.3 2,-0.6 -7,-0.1 -4,-0.2 -0.090 48.3 115.8-120.0 29.3 95.5 97.0 40.3 259 274 A F + 0 0 50 -6,-0.3 2,-0.4 -7,-0.2 -8,-0.0 -0.884 36.4 172.4-110.4 119.0 95.4 94.3 42.8 260 275 A F - 0 0 58 -2,-0.6 -222,-2.6 4,-0.0 -221,-0.3 -0.970 17.8-151.7-126.5 139.8 96.0 95.0 46.4 261 276 A T B > -I 37 0C 10 -2,-0.4 4,-2.3 -224,-0.3 -224,-0.3 -0.451 39.3-101.8 -93.8 172.5 95.7 92.7 49.4 262 277 A V H > S+ 0 0 5 -226,-2.2 4,-3.0 1,-0.2 5,-0.2 0.948 125.8 53.9 -62.2 -43.7 94.8 94.0 52.9 263 278 A R H > S+ 0 0 85 -227,-0.4 4,-1.4 2,-0.2 -1,-0.2 0.914 106.9 50.9 -53.1 -49.1 98.5 93.7 53.7 264 279 A D H >4 S+ 0 0 85 1,-0.2 3,-0.8 2,-0.2 4,-0.5 0.964 113.3 44.4 -54.8 -54.3 99.5 95.8 50.7 265 280 A V H >X S+ 0 0 3 -4,-2.3 3,-1.5 1,-0.2 4,-1.4 0.885 109.2 56.7 -59.3 -41.5 97.0 98.6 51.6 266 281 A L H 3< S+ 0 0 43 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.738 95.6 65.2 -64.5 -23.4 98.0 98.5 55.3 267 282 A K T << S+ 0 0 93 -4,-1.4 -1,-0.3 -3,-0.8 -2,-0.2 0.686 114.6 31.2 -72.3 -16.8 101.7 99.2 54.5 268 283 A Y T <4 S+ 0 0 70 -3,-1.5 2,-0.3 -4,-0.5 -2,-0.2 0.545 125.2 37.2-115.7 -13.9 100.6 102.6 53.1 269 284 A Y S < S- 0 0 63 -4,-1.4 -1,-0.2 29,-0.0 2,-0.1 -0.987 81.8-105.9-141.4 151.5 97.7 103.5 55.3 270 285 A D > - 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