==== 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 TRANSFERASE 07-MAR-07 2P2W . COMPND 2 MOLECULE: CITRATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR M.SUGAHARA,N.KUNISHIMA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS . 358 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18459.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 241 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 161 45.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.0 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 0 0 0 2 0 1 3 3 1 3 0 1 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 208 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 136.8 -6.7 72.2 14.3 2 2 A I - 0 0 118 1,-0.0 2,-0.1 2,-0.0 339,-0.1 -0.824 360.0-166.3-101.8 136.7 -5.9 68.7 13.2 3 3 A Q > - 0 0 119 -2,-0.4 3,-2.1 3,-0.0 6,-0.1 -0.466 16.9-175.7-118.5 58.4 -2.3 67.3 13.5 4 4 A K T 3 S+ 0 0 200 1,-0.3 3,-0.5 -2,-0.1 -2,-0.0 -0.325 73.5 15.5 -58.6 126.9 -2.6 64.2 11.3 5 5 A G T 3 S- 0 0 48 1,-0.2 -1,-0.3 -2,-0.1 -2,-0.0 0.189 102.0-117.3 93.7 -18.4 0.6 62.1 11.5 6 6 A L X - 0 0 72 -3,-2.1 3,-2.0 1,-0.2 -1,-0.2 0.735 45.3-177.1 56.5 28.6 1.8 64.0 14.6 7 7 A E T 3 + 0 0 137 -3,-0.5 -1,-0.2 1,-0.3 3,-0.1 -0.335 68.7 3.9 -60.2 130.3 4.8 65.4 12.8 8 8 A G T 3 S+ 0 0 72 1,-0.2 2,-0.5 -2,-0.1 -1,-0.3 0.410 93.5 137.8 77.3 -4.1 7.0 67.4 15.2 9 9 A V < - 0 0 54 -3,-2.0 2,-0.8 -6,-0.1 -1,-0.2 -0.660 47.6-145.0 -80.5 122.2 4.8 66.6 18.2 10 10 A K + 0 0 194 -2,-0.5 3,-0.1 1,-0.1 -1,-0.0 -0.783 20.5 177.7 -88.5 111.9 6.9 65.8 21.2 11 11 A I - 0 0 48 -2,-0.8 2,-0.3 1,-0.1 -1,-0.1 0.483 62.8 -8.0 -94.2 -3.2 5.1 63.1 23.2 12 12 A C - 0 0 42 2,-0.0 2,-0.4 0, 0.0 -1,-0.1 -0.984 67.9 -98.8-174.4 172.9 7.7 62.7 25.9 13 13 A E - 0 0 186 -2,-0.3 2,-0.3 -3,-0.1 -3,-0.0 -0.885 42.6-179.7-105.3 140.8 11.1 63.6 27.2 14 14 A S - 0 0 45 -2,-0.4 312,-0.0 3,-0.1 -2,-0.0 -1.000 32.8-173.6-146.3 142.0 13.8 61.0 26.7 15 15 A S S S+ 0 0 78 -2,-0.3 3,-0.1 1,-0.1 -1,-0.1 0.240 74.5 85.9-109.6 8.9 17.5 60.5 27.4 16 16 A I S S+ 0 0 0 1,-0.2 13,-2.7 12,-0.1 2,-0.4 0.934 97.1 5.3 -77.1 -47.8 17.8 57.3 25.4 17 17 A C E -A 28 0A 12 11,-0.2 2,-0.6 12,-0.1 -1,-0.2 -0.991 52.0-151.6-148.2 137.8 18.5 58.6 21.9 18 18 A Y E -A 27 0A 140 9,-1.5 9,-2.0 -2,-0.4 2,-0.7 -0.937 14.4-165.0-109.2 119.9 19.1 61.8 20.1 19 19 A L E -A 26 0A 22 -2,-0.6 2,-1.1 7,-0.2 7,-0.2 -0.916 2.1-166.4-107.2 110.0 18.0 61.9 16.4 20 20 A D E >> +A 25 0A 19 5,-2.7 5,-2.0 -2,-0.7 4,-0.9 -0.765 12.3 173.0 -97.9 89.3 19.5 64.8 14.5 21 21 A G T 45S+ 0 0 8 -2,-1.1 227,-2.9 3,-0.2 228,-0.3 0.791 73.9 57.4 -67.3 -28.7 17.4 64.8 11.3 22 22 A I T 45S+ 0 0 126 1,-0.2 -1,-0.2 225,-0.2 -2,-0.1 0.926 119.5 27.1 -69.4 -44.9 18.9 68.1 10.0 23 23 A N T 45S- 0 0 112 2,-0.1 -1,-0.2 226,-0.1 -2,-0.2 0.365 107.5-117.3 -99.7 4.0 22.5 66.9 10.0 24 24 A G T <5 + 0 0 8 -4,-0.9 2,-0.4 1,-0.2 -3,-0.2 0.932 65.1 139.7 61.8 48.6 21.8 63.2 9.6 25 25 A R E < -A 20 0A 91 -5,-2.0 -5,-2.7 226,-0.1 2,-0.4 -0.941 33.5-165.9-125.5 147.0 23.3 62.0 12.9 26 26 A L E -A 19 0A 0 -2,-0.4 7,-2.6 -7,-0.2 2,-0.4 -0.999 7.5-174.1-133.1 134.7 22.0 59.4 15.3 27 27 A Y E -AB 18 32A 46 -9,-2.0 -9,-1.5 -2,-0.4 2,-0.7 -0.981 19.8-147.5-132.6 141.9 23.3 58.9 18.9 28 28 A Y E > S-AB 17 31A 0 3,-3.0 3,-2.5 -2,-0.4 -11,-0.2 -0.944 89.1 -30.2-106.3 113.5 22.6 56.3 21.6 29 29 A R T 3 S- 0 0 68 -13,-2.7 -1,-0.2 -2,-0.7 -12,-0.1 0.864 130.8 -41.8 43.1 44.8 22.8 58.1 25.0 30 30 A G T 3 S+ 0 0 62 1,-0.2 -1,-0.3 -14,-0.1 -13,-0.1 0.203 115.8 109.2 94.6 -16.9 25.3 60.5 23.5 31 31 A I E < S-B 28 0A 39 -3,-2.5 -3,-3.0 1,-0.0 -1,-0.2 -0.815 75.6-109.4 -99.5 132.6 27.5 58.1 21.5 32 32 A P E >> -B 27 0A 27 0, 0.0 4,-1.4 0, 0.0 3,-0.8 -0.314 23.9-131.3 -57.1 133.6 27.4 58.2 17.7 33 33 A V H 3> S+ 0 0 0 -7,-2.6 4,-2.8 1,-0.2 5,-0.2 0.835 104.9 56.9 -57.9 -35.6 25.6 55.0 16.4 34 34 A E H 3> S+ 0 0 48 -8,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.813 101.6 56.8 -68.3 -28.3 28.4 54.3 13.9 35 35 A E H <> S+ 0 0 81 -3,-0.8 4,-2.9 2,-0.2 5,-0.3 0.944 112.5 41.0 -65.6 -45.7 31.0 54.2 16.6 36 36 A L H X S+ 0 0 9 -4,-1.4 4,-3.1 2,-0.2 -2,-0.2 0.929 111.9 54.8 -67.1 -44.8 29.0 51.5 18.4 37 37 A A H < S+ 0 0 2 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.840 117.8 37.5 -57.8 -32.9 28.2 49.6 15.2 38 38 A E H < S+ 0 0 128 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.892 131.4 23.5 -85.5 -44.6 32.0 49.5 14.5 39 39 A K H < S+ 0 0 138 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.605 111.7 64.6-101.8 -14.2 33.5 49.0 17.9 40 40 A S < - 0 0 13 -4,-3.1 2,-0.3 -5,-0.3 125,-0.1 -0.181 64.5-132.3-101.0-167.3 30.7 47.4 20.1 41 41 A T > - 0 0 41 1,-0.1 4,-2.5 -2,-0.1 5,-0.3 -0.874 34.5 -98.0-138.4 168.6 28.7 44.2 20.2 42 42 A F H > S+ 0 0 0 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.956 122.8 43.7 -55.7 -54.5 25.0 43.4 20.6 43 43 A E H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.877 113.8 50.0 -61.1 -40.9 25.3 42.7 24.3 44 44 A E H > S+ 0 0 48 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.916 114.9 42.0 -66.8 -43.3 27.5 45.7 25.0 45 45 A T H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.880 114.3 51.8 -71.8 -35.2 25.3 48.2 23.2 46 46 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.3 5,-0.3 0.911 109.5 50.6 -65.3 -40.7 22.1 46.6 24.6 47 47 A Y H X S+ 0 0 13 -4,-2.2 4,-3.3 -5,-0.2 5,-0.4 0.941 110.5 50.1 -59.8 -46.9 23.7 46.9 28.1 48 48 A F H X S+ 0 0 11 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.889 111.2 48.1 -59.5 -42.4 24.4 50.6 27.4 49 49 A L H < S+ 0 0 0 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.909 119.6 37.6 -67.2 -41.9 20.9 51.3 26.2 50 50 A W H < S+ 0 0 12 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.866 127.6 31.6 -78.7 -38.9 19.2 49.6 29.2 51 51 A Y H < S- 0 0 65 -4,-3.3 -3,-0.2 -5,-0.3 -2,-0.2 0.633 96.6-126.8 -97.3 -15.9 21.6 50.6 32.0 52 52 A G S < S+ 0 0 37 -4,-1.7 2,-0.3 -5,-0.4 -4,-0.2 0.543 78.7 71.0 83.9 6.5 22.8 54.0 30.8 53 53 A K S S- 0 0 91 -6,-0.4 -2,-0.2 -5,-0.0 -1,-0.1 -0.994 87.2 -99.1-152.2 152.7 26.6 53.3 31.0 54 54 A L - 0 0 88 -2,-0.3 2,-0.1 1,-0.1 -9,-0.1 -0.553 49.8-116.3 -71.6 134.8 29.2 51.3 29.1 55 55 A P - 0 0 14 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.411 20.0-122.0 -74.6 148.6 29.9 48.1 31.1 56 56 A T > - 0 0 75 -2,-0.1 4,-2.9 1,-0.1 5,-0.3 -0.282 40.8 -91.4 -77.3 173.2 33.2 47.2 32.7 57 57 A K H > S+ 0 0 188 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.915 128.7 42.1 -53.5 -48.5 35.0 44.0 31.7 58 58 A S H > S+ 0 0 60 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.880 113.1 52.9 -69.0 -38.2 33.3 42.0 34.5 59 59 A E H > S+ 0 0 60 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.938 111.7 45.5 -63.0 -45.4 29.9 43.6 34.0 60 60 A L H X S+ 0 0 33 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.912 112.3 51.9 -63.5 -42.3 29.9 42.8 30.3 61 61 A E H X S+ 0 0 103 -4,-2.1 4,-1.7 -5,-0.3 -2,-0.2 0.934 114.0 42.7 -59.0 -48.5 31.1 39.2 31.0 62 62 A E H X S+ 0 0 106 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.870 113.7 51.9 -67.0 -37.5 28.3 38.7 33.5 63 63 A F H X S+ 0 0 7 -4,-2.6 4,-2.4 -5,-0.2 5,-0.2 0.878 108.0 51.9 -67.8 -36.9 25.7 40.3 31.3 64 64 A K H X S+ 0 0 77 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.891 110.0 48.6 -66.9 -38.0 26.7 38.1 28.4 65 65 A R H X S+ 0 0 125 -4,-1.7 4,-1.3 -5,-0.2 -1,-0.2 0.849 110.2 53.5 -68.9 -32.8 26.3 35.0 30.5 66 66 A K H X S+ 0 0 69 -4,-1.8 4,-0.6 2,-0.2 3,-0.4 0.958 110.9 43.2 -65.8 -53.2 22.9 36.3 31.7 67 67 A M H >< S+ 0 0 0 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.914 113.2 53.7 -59.9 -40.5 21.6 36.8 28.2 68 68 A A H >< S+ 0 0 11 -4,-2.1 3,-0.7 1,-0.3 -1,-0.2 0.789 105.5 53.9 -64.4 -27.2 23.0 33.4 27.1 69 69 A D H 3< S+ 0 0 111 -4,-1.3 3,-0.3 -3,-0.4 -1,-0.3 0.567 104.5 57.2 -83.4 -8.6 21.2 31.8 30.1 70 70 A Y T << S+ 0 0 60 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.2 0.217 75.4 98.2-106.1 13.9 17.9 33.2 28.9 71 71 A R < + 0 0 2 -3,-0.7 2,-0.2 -4,-0.1 -1,-0.2 0.539 57.5 104.5 -80.8 -6.8 17.8 31.8 25.3 72 72 A E - 0 0 103 -3,-0.3 43,-0.1 -4,-0.1 47,-0.1 -0.486 60.5-141.3 -83.0 146.4 15.6 28.8 26.0 73 73 A L - 0 0 26 -2,-0.2 5,-0.1 1,-0.1 -2,-0.1 -0.816 36.3-100.0 -98.8 140.6 11.9 28.4 25.1 74 74 A P >> - 0 0 74 0, 0.0 4,-1.5 0, 0.0 3,-0.6 -0.219 31.8-112.7 -57.5 151.9 9.7 26.7 27.6 75 75 A A H 3> S+ 0 0 88 1,-0.2 4,-1.4 2,-0.2 -2,-0.0 0.846 117.6 55.8 -55.3 -36.3 8.9 23.1 26.9 76 76 A E H 3> S+ 0 0 121 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.854 101.8 56.0 -66.4 -35.3 5.3 23.9 26.3 77 77 A A H <> S+ 0 0 5 -3,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.897 104.1 54.3 -63.4 -39.4 6.2 26.5 23.6 78 78 A L H X S+ 0 0 30 -4,-1.5 4,-1.4 1,-0.2 -1,-0.2 0.878 104.4 55.2 -62.6 -36.5 8.1 23.7 21.8 79 79 A G H < S+ 0 0 39 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.909 108.8 47.1 -62.5 -41.7 4.9 21.6 21.8 80 80 A I H >< S+ 0 0 62 -4,-1.7 3,-2.0 1,-0.2 4,-0.3 0.879 103.3 64.2 -66.6 -39.7 3.0 24.4 20.1 81 81 A L H >< S+ 0 0 2 -4,-2.2 3,-1.7 1,-0.3 -1,-0.2 0.898 97.6 53.6 -50.3 -48.6 5.7 24.9 17.5 82 82 A Y T 3< S+ 0 0 110 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.433 108.4 51.2 -73.4 1.6 5.3 21.5 16.0 83 83 A H T < S+ 0 0 161 -3,-2.0 -1,-0.3 -4,-0.1 -2,-0.2 0.281 89.5 102.4-116.5 6.0 1.6 22.1 15.5 84 84 A L S < S- 0 0 25 -3,-1.7 -3,-0.0 -4,-0.3 4,-0.0 -0.564 82.7 -98.1 -88.4 155.7 1.9 25.5 13.7 85 85 A P - 0 0 70 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 -0.350 28.2-132.9 -65.3 156.5 1.6 26.0 9.9 86 86 A K S S+ 0 0 114 1,-0.2 -2,-0.0 41,-0.1 -3,-0.0 0.282 94.9 64.3 -96.6 11.4 5.0 26.1 8.2 87 87 A N + 0 0 136 2,-0.1 -1,-0.2 0, 0.0 2,-0.1 -0.002 68.8 132.9-123.6 30.5 4.2 29.2 6.1 88 88 A L - 0 0 39 -3,-0.5 2,-0.3 1,-0.1 221,-0.0 -0.459 62.0-108.9 -80.8 154.3 3.8 31.9 8.7 89 89 A H >> - 0 0 33 -2,-0.1 4,-1.7 1,-0.1 3,-0.6 -0.627 29.4-123.9 -78.5 139.8 5.5 35.3 8.5 90 90 A Y H 3> S+ 0 0 8 219,-1.2 4,-2.2 -2,-0.3 5,-0.1 0.811 108.9 58.7 -57.6 -33.3 8.2 35.6 11.1 91 91 A I H 3> S+ 0 0 0 218,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.914 108.3 47.3 -62.4 -39.9 6.8 38.7 12.7 92 92 A D H <> S+ 0 0 47 -3,-0.6 4,-2.3 2,-0.2 -2,-0.2 0.864 106.9 56.8 -67.9 -35.9 3.6 36.7 13.4 93 93 A V H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 5,-0.2 0.923 106.4 50.4 -60.1 -44.2 5.7 33.8 14.8 94 94 A L H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.909 107.6 53.5 -60.3 -43.5 7.2 36.2 17.3 95 95 A K H X S+ 0 0 56 -4,-1.8 4,-0.7 1,-0.2 3,-0.2 0.935 108.3 50.8 -56.3 -49.3 3.7 37.5 18.3 96 96 A I H >< S+ 0 0 53 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.944 112.0 43.7 -54.3 -55.4 2.6 33.9 19.0 97 97 A F H 3< S+ 0 0 20 -4,-2.1 3,-0.5 1,-0.3 -1,-0.2 0.715 111.9 54.1 -70.7 -19.4 5.5 32.9 21.2 98 98 A L H 3< S+ 0 0 12 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.581 104.7 57.6 -84.6 -9.4 5.4 36.2 23.1 99 99 A S S << S+ 0 0 79 -3,-1.3 2,-1.0 -4,-0.7 -1,-0.2 0.268 77.7 94.0-105.5 9.1 1.7 35.7 23.9 100 100 A I 0 0 49 -3,-0.5 -1,-0.1 1,-0.1 -23,-0.1 -0.636 360.0 360.0-101.3 77.6 2.0 32.3 25.7 101 101 A H 0 0 206 -2,-1.0 -1,-0.1 -3,-0.0 89,-0.1 -0.181 360.0 360.0 46.5 360.0 2.2 33.5 29.3 102 ! 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 0.0 103 109 A E > 0 0 182 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -91.8 14.1 46.8 37.5 104 110 A D H > + 0 0 105 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.829 360.0 54.2 -73.9 -35.2 12.0 43.7 37.1 105 111 A L H > S+ 0 0 54 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.887 108.7 48.6 -61.3 -38.4 10.6 45.2 33.9 106 112 A R H > S+ 0 0 75 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.893 109.4 51.7 -69.4 -38.0 14.2 45.6 32.8 107 113 A E H X S+ 0 0 50 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.906 110.5 49.8 -64.1 -39.1 14.9 42.0 33.7 108 114 A K H X S+ 0 0 52 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.898 109.4 51.0 -64.7 -41.2 11.9 41.0 31.7 109 115 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.914 109.1 51.3 -62.6 -44.4 13.1 43.0 28.7 110 116 A I H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.910 111.9 46.8 -59.4 -44.7 16.5 41.3 28.9 111 117 A R H X S+ 0 0 99 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.917 112.2 48.2 -66.3 -44.7 15.0 37.9 28.9 112 118 A V H X S+ 0 0 2 -4,-2.5 4,-1.0 1,-0.2 3,-0.4 0.922 111.9 49.7 -64.0 -42.6 12.6 38.5 26.1 113 119 A A H < S+ 0 0 0 -4,-2.4 3,-0.5 1,-0.2 -1,-0.2 0.889 107.1 56.6 -62.4 -38.2 15.3 40.0 23.9 114 120 A S H < S+ 0 0 0 -4,-1.8 4,-0.3 1,-0.2 -1,-0.2 0.806 108.7 45.7 -64.2 -30.5 17.5 37.0 24.6 115 121 A V H >X S+ 0 0 16 -4,-1.3 4,-2.1 -3,-0.4 3,-0.5 0.621 86.0 90.4 -90.9 -12.4 15.0 34.5 23.3 116 122 A F H 3X S+ 0 0 0 -4,-1.0 4,-2.1 -3,-0.5 5,-0.2 0.908 88.6 47.7 -48.6 -52.2 14.0 36.4 20.1 117 123 A P H 3> S+ 0 0 3 0, 0.0 4,-3.0 0, 0.0 -1,-0.2 0.826 109.0 54.8 -61.5 -32.0 16.7 34.6 18.0 118 124 A T H <> S+ 0 0 0 -3,-0.5 4,-2.7 -4,-0.3 5,-0.3 0.909 106.7 50.6 -68.0 -41.9 15.7 31.2 19.3 119 125 A I H X S+ 0 0 2 -4,-2.1 4,-2.0 2,-0.2 5,-0.2 0.949 116.0 42.0 -59.7 -49.0 12.1 31.8 18.3 120 126 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.925 116.7 46.2 -65.0 -47.9 13.2 32.7 14.8 121 127 A A H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 5,-0.2 0.929 112.7 50.2 -62.9 -45.9 15.8 30.0 14.4 122 128 A Y H X S+ 0 0 2 -4,-2.7 4,-2.7 -5,-0.2 -1,-0.2 0.902 112.3 46.6 -59.5 -43.9 13.6 27.2 15.7 123 129 A Y H X S+ 0 0 2 -4,-2.0 4,-3.2 -5,-0.3 -1,-0.2 0.874 111.2 53.4 -67.9 -35.1 10.7 28.2 13.4 124 130 A Y H X S+ 0 0 23 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.960 113.2 41.7 -61.5 -52.7 13.1 28.4 10.5 125 131 A R H <>S+ 0 0 30 -4,-2.6 5,-3.1 2,-0.2 3,-0.3 0.924 117.7 48.3 -60.3 -47.2 14.5 24.9 11.1 126 132 A Y H ><5S+ 0 0 12 -4,-2.7 3,-2.3 -5,-0.2 -2,-0.2 0.946 108.1 52.5 -58.9 -52.9 11.0 23.5 11.8 127 133 A S H 3<5S+ 0 0 26 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.760 113.4 45.9 -57.8 -25.5 9.4 25.1 8.7 128 134 A K T 3<5S- 0 0 120 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.244 115.7-113.3-102.5 12.6 12.1 23.5 6.6 129 135 A G T < 5 + 0 0 64 -3,-2.3 2,-0.2 1,-0.2 -3,-0.2 0.747 69.8 138.6 64.1 26.6 11.9 20.0 8.3 130 136 A K < - 0 0 110 -5,-3.1 -1,-0.2 -6,-0.2 2,-0.1 -0.674 60.8 -95.7-101.4 157.4 15.3 20.2 9.8 131 137 A E - 0 0 157 -2,-0.2 -1,-0.1 1,-0.1 -5,-0.0 -0.435 47.6-104.4 -69.2 142.6 16.4 19.2 13.3 132 138 A L - 0 0 27 -2,-0.1 2,-0.6 1,-0.1 -1,-0.1 -0.338 23.9-143.8 -66.2 148.5 16.5 22.0 15.8 133 139 A I - 0 0 31 15,-0.3 3,-0.1 -3,-0.1 18,-0.1 -0.955 22.2-135.6-117.0 107.3 19.9 23.3 16.8 134 140 A R - 0 0 130 -2,-0.6 -62,-0.1 1,-0.1 -16,-0.0 -0.190 30.3 -88.5 -62.7 151.7 19.7 24.2 20.5 135 141 A P - 0 0 17 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.336 39.3-137.6 -60.7 140.2 21.2 27.5 21.8 136 142 A R > - 0 0 69 4,-0.1 3,-1.6 1,-0.1 8,-0.1 -0.913 5.9-156.0-105.6 119.7 24.9 27.2 22.7 137 143 A K T 3 S+ 0 0 104 -2,-0.6 -1,-0.1 1,-0.3 -69,-0.1 0.650 91.2 63.8 -68.9 -14.2 25.9 29.0 25.9 138 144 A D T 3 S+ 0 0 110 -70,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.459 94.2 78.2 -88.1 0.2 29.5 29.3 24.7 139 145 A L S < S- 0 0 6 -3,-1.6 0, 0.0 1,-0.1 0, 0.0 -0.784 83.5-110.6-110.0 153.5 28.5 31.6 21.8 140 146 A S > - 0 0 11 -2,-0.3 4,-3.0 1,-0.1 5,-0.3 -0.203 40.6 -95.8 -72.5 169.4 27.6 35.3 21.7 141 147 A H H > S+ 0 0 2 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.909 125.1 33.9 -52.3 -50.0 24.0 36.5 21.1 142 148 A V H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.901 117.1 53.1 -76.5 -43.0 24.6 37.0 17.3 143 149 A E H > S+ 0 0 57 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.939 111.4 49.0 -55.4 -47.3 27.1 34.1 16.8 144 150 A N H X S+ 0 0 2 -4,-3.0 4,-2.7 2,-0.2 -1,-0.2 0.844 106.9 54.0 -62.7 -37.4 24.5 31.9 18.4 145 151 A F H X S+ 0 0 1 -4,-1.2 4,-1.4 -5,-0.3 -1,-0.2 0.958 110.3 47.2 -62.3 -47.9 21.7 33.1 16.2 146 152 A Y H X S+ 0 0 9 -4,-2.3 4,-2.8 1,-0.2 6,-0.4 0.884 113.8 48.6 -60.5 -38.7 23.7 32.4 13.1 147 153 A Y H X S+ 0 0 62 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.883 108.5 50.9 -71.2 -39.0 24.6 28.9 14.4 148 154 A M H < S+ 0 0 0 -4,-2.7 -15,-0.3 2,-0.2 -1,-0.2 0.762 116.5 45.5 -68.7 -23.0 21.0 28.0 15.4 149 155 A M H < S+ 0 0 1 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.935 134.4 8.1 -82.5 -53.1 20.1 29.0 11.9 150 156 A F H < S- 0 0 45 -4,-2.8 -3,-0.2 2,-0.3 -2,-0.2 0.399 88.1-123.5-114.5 0.3 22.8 27.4 9.7 151 157 A G S < S+ 0 0 27 -4,-2.5 2,-0.3 -5,-0.3 -4,-0.2 0.773 81.4 84.8 62.0 26.8 24.7 25.1 12.1 152 158 A E - 0 0 110 -6,-0.4 2,-0.4 2,-0.0 -2,-0.3 -0.978 69.8-126.5-153.1 162.2 28.0 26.9 11.2 153 159 A R + 0 0 135 -2,-0.3 2,-0.3 -3,-0.1 -10,-0.0 -0.950 28.8 172.8-118.2 136.5 30.1 30.0 12.1 154 160 A N > - 0 0 70 -2,-0.4 3,-1.9 -11,-0.1 4,-0.2 -0.965 44.5-117.1-141.6 154.8 31.4 32.5 9.6 155 161 A E T > S+ 0 0 145 -2,-0.3 3,-1.8 1,-0.3 4,-0.4 0.745 105.8 78.7 -60.8 -25.3 33.2 35.9 9.6 156 162 A K T >> S+ 0 0 59 1,-0.3 4,-1.6 2,-0.2 3,-0.9 0.697 72.8 82.8 -57.5 -18.9 30.1 37.4 8.0 157 163 A I H <> S+ 0 0 12 -3,-1.9 4,-2.5 1,-0.3 -1,-0.3 0.863 81.6 60.7 -54.0 -39.0 28.6 37.4 11.6 158 164 A R H <> S+ 0 0 181 -3,-1.8 4,-2.1 1,-0.2 -1,-0.3 0.855 102.7 50.9 -57.2 -39.1 30.5 40.6 12.3 159 165 A L H <> S+ 0 0 18 -3,-0.9 4,-2.0 -4,-0.4 -1,-0.2 0.912 110.1 49.2 -67.9 -42.1 28.5 42.4 9.5 160 166 A L H X S+ 0 0 1 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.898 109.8 52.4 -63.8 -40.4 25.2 41.1 10.9 161 167 A E H X S+ 0 0 27 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.918 108.1 49.9 -63.2 -43.9 26.2 42.3 14.4 162 168 A S H X S+ 0 0 21 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.915 110.3 52.6 -60.2 -41.2 27.0 45.8 13.1 163 169 A A H X S+ 0 0 0 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.916 107.8 49.7 -61.1 -45.6 23.6 45.8 11.4 164 170 A F H >X S+ 0 0 1 -4,-2.4 4,-0.8 1,-0.2 3,-0.7 0.943 109.6 51.6 -59.4 -47.3 21.7 44.9 14.6 165 171 A I H >< S+ 0 0 0 -4,-2.3 3,-1.0 1,-0.3 4,-0.4 0.911 107.9 52.2 -56.0 -44.3 23.5 47.6 16.5 166 172 A L H 3< S+ 0 0 0 -4,-2.2 -1,-0.3 1,-0.2 3,-0.2 0.785 114.4 44.2 -63.0 -27.2 22.5 50.2 13.9 167 173 A L H << S+ 0 0 0 -4,-1.3 -1,-0.2 -3,-0.7 -2,-0.2 0.419 84.7 95.0 -99.3 -0.4 18.8 49.1 14.2 168 174 A M S << S+ 0 0 0 -3,-1.0 154,-1.2 -4,-0.8 2,-0.3 0.843 92.8 6.1 -62.1 -34.6 18.5 48.8 17.9 169 175 A E + 0 0 0 -4,-0.4 -1,-0.2 -3,-0.2 151,-0.0 -0.995 45.5 160.3-156.8 144.3 17.0 52.3 18.5 170 176 A Q - 0 0 8 1,-0.5 3,-0.3 -2,-0.3 6,-0.1 -0.218 52.4 -99.0-162.6 67.1 15.7 55.5 16.9 171 177 A D S S- 0 0 54 1,-0.2 2,-1.2 5,-0.1 -1,-0.5 -0.112 86.0 -17.1 56.7-146.6 13.5 57.8 19.0 172 178 A I S S+ 0 0 42 4,-0.1 -1,-0.2 3,-0.1 -161,-0.0 -0.449 79.0 159.1 -95.6 64.7 9.7 57.7 18.6 173 179 A N > - 0 0 28 -2,-1.2 4,-3.0 -3,-0.3 5,-0.2 -0.225 59.9 -86.7 -74.0 172.1 9.2 55.9 15.3 174 180 A A H > S+ 0 0 60 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.863 127.3 43.9 -51.1 -46.0 5.9 54.2 14.6 175 181 A S H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.908 115.4 47.3 -70.7 -40.5 6.7 50.9 16.3 176 182 A T H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.906 113.2 51.0 -65.0 -37.8 8.3 52.4 19.4 177 183 A F H X S+ 0 0 49 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.896 106.9 52.9 -66.2 -39.7 5.3 54.7 19.5 178 184 A A H X S+ 0 0 25 -4,-2.1 4,-2.1 -5,-0.2 5,-0.2 0.915 109.1 50.0 -60.6 -43.0 2.9 51.8 19.3 179 185 A A H X S+ 0 0 1 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.876 111.2 49.8 -62.9 -37.5 4.7 50.2 22.2 180 186 A L H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.894 107.6 52.0 -69.9 -41.2 4.4 53.4 24.2 181 187 A V H < S+ 0 0 51 -4,-2.6 4,-0.4 2,-0.2 156,-0.4 0.943 115.8 41.9 -59.8 -46.3 0.7 53.8 23.6 182 188 A I H ><>S+ 0 0 48 -4,-2.1 3,-1.4 1,-0.2 5,-1.1 0.917 114.1 52.0 -66.6 -43.0 0.1 50.3 24.8 183 189 A A H ><5S+ 0 0 1 -4,-2.6 3,-2.0 1,-0.2 -1,-0.2 0.818 96.9 68.1 -63.0 -30.9 2.5 50.8 27.7 184 190 A S T 3<5S+ 0 0 2 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.662 93.5 58.1 -65.6 -16.9 0.8 54.0 28.8 185 191 A T T < 5S- 0 0 82 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.401 119.8-113.1 -87.9 1.4 -2.3 51.8 29.8 186 192 A L T < 5 + 0 0 122 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.2 0.694 63.5 158.5 70.6 25.6 0.1 50.0 32.1 187 193 A S < - 0 0 48 -5,-1.1 -1,-0.2 1,-0.1 5,-0.0 -0.203 48.3 -78.8 -68.8 170.9 -0.3 46.8 30.0 188 194 A D > - 0 0 76 1,-0.1 4,-1.8 4,-0.0 3,-0.2 -0.251 36.9-111.4 -71.1 159.6 2.4 44.1 30.2 189 195 A L H > S+ 0 0 5 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.842 115.9 56.0 -59.5 -36.5 5.7 44.3 28.4 190 196 A Y H > S+ 0 0 39 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.918 105.9 51.3 -64.0 -41.7 4.8 41.5 26.0 191 197 A S H > S+ 0 0 46 2,-0.2 4,-1.8 -3,-0.2 -1,-0.2 0.903 109.0 50.8 -61.0 -42.4 1.6 43.3 24.9 192 198 A C H X S+ 0 0 1 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.941 112.9 46.3 -60.2 -46.9 3.7 46.4 24.2 193 199 A I H X S+ 0 0 2 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.903 108.6 54.1 -63.2 -43.9 6.2 44.4 22.1 194 200 A V H X S+ 0 0 33 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.852 110.5 47.4 -61.5 -34.4 3.5 42.6 20.1 195 201 A G H X S+ 0 0 25 -4,-1.8 4,-1.8 -5,-0.2 -1,-0.2 0.913 110.9 51.2 -71.7 -41.8 1.9 45.9 19.1 196 202 A A H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.902 107.3 54.3 -60.2 -41.5 5.3 47.3 18.1 197 203 A L H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.914 105.4 53.4 -58.7 -44.0 5.9 44.2 16.0 198 204 A G H X S+ 0 0 33 -4,-1.6 4,-0.5 1,-0.2 -1,-0.2 0.886 112.2 44.2 -59.3 -40.6 2.6 44.8 14.2 199 205 A A H >< S+ 0 0 31 -4,-1.8 3,-1.1 1,-0.2 8,-0.3 0.899 110.1 53.7 -71.4 -42.3 3.7 48.4 13.4 200 206 A L H 3< S+ 0 0 0 -4,-2.8 7,-1.3 1,-0.2 -2,-0.2 0.844 101.0 64.1 -61.3 -31.8 7.2 47.4 12.3 201 207 A K H 3< S+ 0 0 64 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.747 79.8 106.9 -63.4 -28.2 5.7 44.9 9.9 202 208 A G S X<>S- 0 0 24 -3,-1.1 3,-1.9 -4,-0.5 5,-1.8 -0.206 76.3-127.7 -58.8 144.1 4.0 47.6 7.8 203 209 A P T 3 5S+ 0 0 66 0, 0.0 -1,-0.1 0, 0.0 8,-0.1 0.705 111.5 57.7 -63.2 -24.5 5.4 48.5 4.3 204 210 A L T 3 5S+ 0 0 137 3,-0.1 2,-0.1 36,-0.1 -2,-0.1 0.336 120.9 24.6 -88.2 5.7 5.6 52.1 5.4 205 211 A H T X 5S- 0 0 34 -3,-1.9 3,-1.6 -5,-0.2 4,-0.3 -0.167 134.3 -22.3-133.3-126.3 7.8 51.2 8.3 206 212 A G T > 5S+ 0 0 0 -7,-0.3 3,-2.3 1,-0.3 4,-0.3 0.861 124.0 71.9 -62.1 -31.1 10.2 48.2 8.9 207 213 A G T >> S+ 0 0 5 -3,-1.6 4,-1.3 -6,-0.6 3,-0.4 0.810 81.6 67.3 -60.7 -26.5 9.8 48.3 3.6 209 215 A S H <4 S+ 0 0 1 -3,-2.3 -1,-0.3 -4,-0.3 -2,-0.2 0.850 99.6 47.7 -62.7 -33.8 12.9 46.1 4.0 210 216 A E H <4 S+ 0 0 39 -3,-1.2 -1,-0.2 -4,-0.3 -2,-0.2 0.709 111.2 52.5 -80.1 -19.3 11.0 43.1 2.6 211 217 A K H X S+ 0 0 116 -4,-0.9 4,-1.6 -3,-0.4 -2,-0.2 0.644 94.3 72.0 -87.1 -19.5 9.7 45.2 -0.3 212 218 A V H X S+ 0 0 0 -4,-1.3 4,-3.1 2,-0.2 5,-0.3 0.967 91.8 52.3 -65.3 -53.2 13.0 46.5 -1.4 213 219 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.938 113.2 45.0 -47.2 -50.8 14.5 43.3 -3.0 214 220 A P H > S+ 0 0 55 0, 0.0 4,-2.0 0, 0.0 -2,-0.2 0.861 113.4 51.3 -63.7 -34.2 11.4 42.7 -5.2 215 221 A M H X S+ 0 0 5 -4,-1.6 4,-2.0 2,-0.2 5,-0.2 0.921 108.9 50.2 -68.3 -43.9 11.4 46.4 -6.1 216 222 A L H X S+ 0 0 0 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.903 112.5 47.3 -60.7 -41.1 15.1 46.2 -7.1 217 223 A E H < S+ 0 0 97 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.856 107.2 56.8 -69.4 -33.0 14.3 43.1 -9.2 218 224 A E H < S+ 0 0 85 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.881 107.4 48.4 -64.1 -38.4 11.3 44.9 -10.8 219 225 A I H < S- 0 0 2 -4,-2.0 2,-1.0 1,-0.1 -1,-0.2 0.903 93.5-165.9 -67.2 -40.9 13.7 47.7 -11.9 220 226 A G < + 0 0 33 -4,-2.0 2,-0.3 -5,-0.2 -1,-0.1 -0.247 50.4 2.6 88.3 -49.9 16.0 44.9 -13.2 221 227 A S S > S- 0 0 24 -2,-1.0 3,-1.4 52,-0.1 4,-0.3 -0.984 76.3 -93.3-162.3 170.2 19.2 46.8 -13.8 222 228 A E G > S+ 0 0 48 -2,-0.3 3,-0.8 1,-0.3 4,-0.4 0.770 118.3 62.7 -59.8 -28.8 21.1 50.1 -13.5 223 229 A D G 3 S+ 0 0 153 1,-0.2 -1,-0.3 2,-0.1 4,-0.3 0.728 104.1 47.1 -71.1 -21.8 20.1 50.9 -17.0 224 230 A R G <> S+ 0 0 136 -3,-1.4 4,-1.9 1,-0.1 -1,-0.2 0.374 83.0 96.2-101.9 3.4 16.4 50.9 -16.1 225 231 A V H <> S+ 0 0 1 -3,-0.8 4,-2.6 -4,-0.3 5,-0.2 0.946 81.4 51.6 -59.0 -53.2 16.5 53.1 -13.0 226 232 A E H > S+ 0 0 122 -4,-0.4 4,-2.4 1,-0.2 5,-0.2 0.919 111.7 47.3 -51.0 -49.8 15.7 56.4 -14.6 227 233 A E H > S+ 0 0 145 -4,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.875 112.0 50.1 -60.8 -40.8 12.5 55.0 -16.2 228 234 A F H X S+ 0 0 12 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.922 111.2 47.9 -65.2 -45.4 11.4 53.3 -13.1 229 235 A V H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.931 111.6 49.2 -62.3 -46.7 11.7 56.4 -10.9 230 236 A Q H X S+ 0 0 88 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.891 110.6 51.9 -60.1 -39.4 9.9 58.6 -13.5 231 237 A K H X S+ 0 0 86 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.900 108.0 51.8 -62.5 -43.0 7.1 56.1 -13.6 232 238 A C H X>S+ 0 0 1 -4,-2.2 5,-2.6 1,-0.2 4,-0.9 0.888 108.0 51.4 -62.0 -40.4 6.9 56.1 -9.8 233 239 A L H <5S+ 0 0 57 -4,-2.2 3,-0.3 3,-0.2 -1,-0.2 0.918 111.5 47.2 -63.8 -43.1 6.6 59.9 -9.8 234 240 A K H <5S+ 0 0 161 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.903 118.2 40.2 -64.9 -43.3 3.8 59.8 -12.3 235 241 A E H <5S- 0 0 87 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.509 106.8-126.0 -83.9 -5.4 1.8 57.1 -10.5 236 242 A K T <5 + 0 0 194 -4,-0.9 2,-0.4 -3,-0.3 -3,-0.2 0.903 51.0 167.1 59.6 39.9 2.6 58.6 -7.1 237 243 A R < - 0 0 85 -5,-2.6 2,-0.3 -6,-0.2 -1,-0.2 -0.737 40.5-114.3 -89.1 134.2 4.0 55.2 -6.1 238 244 A K - 0 0 93 -2,-0.4 2,-0.8 -3,-0.1 -1,-0.0 -0.526 22.9-136.0 -70.8 124.4 6.1 55.2 -2.9 239 245 A I > - 0 0 11 -2,-0.3 3,-1.3 -10,-0.0 -1,-0.1 -0.744 24.5-133.0 -84.0 109.5 9.7 54.3 -3.7 240 246 A M T 3 S+ 0 0 24 -2,-0.8 3,-0.1 1,-0.2 -36,-0.1 -0.294 86.0 30.2 -63.2 143.2 10.6 51.8 -1.0 241 247 A G T 3 S+ 0 0 1 1,-0.3 51,-2.9 2,-0.1 54,-0.5 0.428 106.3 89.3 88.9 -2.8 13.9 52.3 0.9 242 248 A F B < +C 291 0B 2 -3,-1.3 -1,-0.3 49,-0.3 47,-0.0 -0.909 62.3 36.9-127.3 156.4 13.7 56.1 0.5 243 249 A G - 0 0 15 47,-2.3 2,-0.3 -2,-0.3 3,-0.1 0.102 50.6-157.2 89.3 156.1 12.2 58.9 2.5 244 250 A H - 0 0 75 3,-0.2 -1,-0.1 1,-0.1 46,-0.0 -0.960 25.9-130.9-167.5 151.4 11.9 59.6 6.2 245 251 A R S S+ 0 0 145 -2,-0.3 -1,-0.1 1,-0.1 -224,-0.0 0.852 107.6 18.5 -74.8 -34.7 9.8 61.6 8.7 246 252 A V S S+ 0 0 54 -3,-0.1 2,-0.2 3,-0.0 -222,-0.1 0.856 102.3 82.4-106.6 -49.6 12.9 63.0 10.5 247 253 A Y - 0 0 14 1,-0.2 -3,-0.2 -4,-0.1 -225,-0.2 -0.440 46.8-175.7 -61.9 124.6 16.0 62.7 8.4 248 254 A K S S+ 0 0 149 -227,-2.9 2,-0.2 -2,-0.2 -1,-0.2 0.168 75.2 14.1-101.1 13.5 16.2 65.6 5.9 249 255 A T S S- 0 0 36 -228,-0.3 41,-0.2 1,-0.2 -6,-0.1 -0.739 116.0 -12.4-155.5-152.7 19.3 64.1 4.4 250 256 A Y - 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