==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 17-APR-08 3CUZ . COMPND 2 MOLECULE: MALATE SYNTHASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.R.LOHMAN,S.J.REMINGTON . 529 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21251.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 365 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 25 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 209 39.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.7 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 2 2 1 1 0 1 0 1 1 0 1 2 2 0 3 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 1 3 2 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 PARALLEL BRIDGES PER LADDER . 2 0 3 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 . 1 2 0 0 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 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 5 A A 0 0 157 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 153.3 15.3 38.7 -7.6 2 6 A T - 0 0 105 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.348 360.0-130.7 -85.9 162.1 17.1 42.0 -8.1 3 7 A T + 0 0 121 -2,-0.1 -1,-0.1 2,-0.0 0, 0.0 -0.014 50.4 164.8 -93.4 27.2 20.7 42.6 -9.2 4 8 A T - 0 0 46 1,-0.1 -2,-0.0 2,-0.0 0, 0.0 -0.109 32.9-169.5 -53.7 137.7 21.3 45.0 -6.3 5 9 A D + 0 0 93 2,-0.1 2,-0.3 170,-0.0 29,-0.2 -0.088 61.7 96.3-111.4 29.6 24.8 46.0 -5.4 6 10 A E - 0 0 130 28,-0.0 170,-0.5 25,-0.0 2,-0.2 -0.823 68.2-126.2-117.3 158.2 23.5 47.7 -2.2 7 11 A L E -A 175 0A 23 -2,-0.3 2,-0.4 168,-0.1 168,-0.2 -0.654 12.3-143.8 -97.3 156.9 23.3 46.5 1.5 8 12 A A E -A 174 0A 50 166,-2.4 166,-2.7 -2,-0.2 2,-0.5 -0.959 8.9-149.9-117.8 141.5 20.2 46.5 3.7 9 13 A F E -A 173 0A 55 -2,-0.4 164,-0.2 164,-0.2 163,-0.1 -0.948 6.2-165.1-113.2 129.6 20.5 47.2 7.5 10 14 A T + 0 0 83 162,-2.3 163,-0.1 -2,-0.5 -1,-0.1 0.674 68.5 72.7 -88.5 -19.0 18.0 45.5 9.8 11 15 A R S S- 0 0 62 161,-0.5 2,-0.2 1,-0.0 -2,-0.0 -0.757 83.9-117.6 -98.1 141.3 18.6 47.7 12.9 12 16 A P - 0 0 112 0, 0.0 2,-0.3 0, 0.0 5,-0.1 -0.574 40.1-106.6 -73.3 142.2 17.5 51.4 13.3 13 17 A Y + 0 0 85 -2,-0.2 2,-0.2 4,-0.1 -4,-0.0 -0.522 40.9 175.8 -74.8 128.0 20.5 53.7 13.6 14 18 A G > - 0 0 30 -2,-0.3 4,-2.0 -3,-0.0 5,-0.2 -0.402 55.9 -72.1-105.1-165.2 21.2 55.3 17.0 15 19 A E H > S+ 0 0 80 1,-0.2 4,-1.2 2,-0.2 -2,-0.1 0.882 132.0 52.0 -57.8 -42.4 24.2 57.5 17.9 16 20 A Q H > S+ 0 0 24 1,-0.2 4,-1.9 2,-0.2 3,-0.4 0.908 109.1 48.1 -64.6 -45.3 26.6 54.6 17.8 17 21 A E H > S+ 0 0 12 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.872 107.6 56.7 -63.8 -37.7 25.6 53.5 14.3 18 22 A K H < S+ 0 0 139 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.801 109.6 47.1 -63.4 -29.0 25.8 57.0 13.0 19 23 A Q H < S+ 0 0 99 -4,-1.2 3,-0.3 -3,-0.4 -2,-0.2 0.885 125.4 26.5 -75.1 -42.6 29.5 57.1 14.2 20 24 A I H < S+ 0 0 0 -4,-1.9 2,-1.0 1,-0.2 -2,-0.2 0.865 118.7 53.0 -94.2 -41.8 30.6 53.8 12.8 21 25 A L S < S+ 0 0 6 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.1 -0.438 75.6 162.3 -96.8 59.8 28.2 53.3 9.8 22 26 A T > - 0 0 48 -2,-1.0 4,-2.8 -3,-0.3 5,-0.3 -0.282 55.9-101.9 -68.5 162.4 28.9 56.6 8.1 23 27 A A H > S+ 0 0 91 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.919 124.6 45.5 -51.8 -46.5 28.0 57.0 4.4 24 28 A E H > S+ 0 0 47 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.896 111.8 50.5 -68.7 -41.6 31.6 56.6 3.4 25 29 A A H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.919 112.5 47.6 -60.6 -43.4 32.2 53.6 5.7 26 30 A V H X S+ 0 0 24 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.869 107.8 55.2 -69.7 -35.6 29.1 51.8 4.3 27 31 A E H X S+ 0 0 116 -4,-2.1 4,-2.1 -5,-0.3 -1,-0.2 0.935 111.8 44.7 -59.0 -45.3 30.1 52.6 0.7 28 32 A F H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.938 113.4 49.1 -65.2 -47.7 33.5 50.9 1.3 29 33 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.911 109.3 54.1 -56.2 -44.2 31.9 47.9 3.2 30 34 A T H X S+ 0 0 12 -4,-2.8 4,-2.6 1,-0.2 5,-0.3 0.923 106.7 51.1 -57.8 -46.8 29.4 47.6 0.3 31 35 A E H X S+ 0 0 35 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.925 111.2 47.7 -57.0 -47.1 32.2 47.4 -2.2 32 36 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 5,-0.3 0.920 112.0 50.4 -61.2 -43.0 34.0 44.6 -0.2 33 37 A V H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.945 114.5 41.2 -62.4 -49.5 30.7 42.7 0.2 34 38 A T H < S+ 0 0 25 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.858 119.4 45.9 -70.0 -33.1 29.8 42.7 -3.5 35 39 A H H < S+ 0 0 102 -4,-2.2 -1,-0.2 -5,-0.3 4,-0.2 0.798 127.9 21.2 -77.2 -29.9 33.4 42.0 -4.7 36 40 A F H X S+ 0 0 11 -4,-2.1 4,-2.0 -5,-0.2 -3,-0.2 0.591 98.7 81.3-122.9 -12.2 34.3 39.2 -2.3 37 41 A T H X S+ 0 0 5 -4,-2.2 4,-2.7 -5,-0.3 5,-0.2 0.918 91.2 54.5 -66.9 -43.9 31.1 37.5 -0.9 38 42 A P H > S+ 0 0 59 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.941 111.8 45.1 -54.9 -45.0 30.6 35.3 -3.9 39 43 A Q H > S+ 0 0 55 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.888 110.6 54.6 -64.4 -39.2 34.1 33.9 -3.6 40 44 A R H X S+ 0 0 19 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.927 108.2 49.2 -58.9 -44.5 33.7 33.5 0.2 41 45 A N H X S+ 0 0 78 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.894 109.4 51.7 -64.2 -37.9 30.6 31.4 -0.4 42 46 A K H X S+ 0 0 160 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.886 107.1 54.0 -64.2 -37.0 32.5 29.3 -3.0 43 47 A L H X S+ 0 0 23 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.895 107.4 50.2 -63.1 -39.8 35.2 28.8 -0.3 44 48 A L H X S+ 0 0 40 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.894 110.7 49.8 -66.1 -37.1 32.6 27.5 2.2 45 49 A A H X S+ 0 0 57 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.887 107.0 54.9 -65.7 -38.7 31.3 25.1 -0.5 46 50 A A H X S+ 0 0 50 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.882 102.7 57.3 -62.7 -37.1 34.9 23.9 -1.2 47 51 A R H X S+ 0 0 25 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.898 103.5 53.3 -57.3 -42.7 35.2 23.1 2.5 48 52 A I H X S+ 0 0 104 -4,-1.3 4,-2.2 1,-0.2 -1,-0.2 0.934 111.3 45.1 -60.9 -45.5 32.1 20.8 2.3 49 53 A Q H X S+ 0 0 92 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.906 111.5 51.5 -66.7 -42.3 33.7 18.9 -0.6 50 54 A Q H X S+ 0 0 120 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.903 111.3 48.7 -61.5 -39.2 37.1 18.6 1.0 51 55 A Q H X S+ 0 0 41 -4,-2.4 4,-3.2 -5,-0.2 5,-0.2 0.890 107.1 55.0 -68.7 -38.3 35.5 17.2 4.2 52 56 A Q H X S+ 0 0 81 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.919 106.4 52.3 -58.2 -42.6 33.4 14.7 2.1 53 57 A D H <>S+ 0 0 69 -4,-2.1 5,-1.6 2,-0.2 -1,-0.2 0.892 112.3 44.9 -62.0 -39.8 36.7 13.4 0.6 54 58 A I H ><5S+ 0 0 18 -4,-1.7 3,-2.2 1,-0.2 -2,-0.2 0.941 111.1 52.6 -68.4 -46.6 38.1 12.9 4.1 55 59 A D H 3<5S+ 0 0 40 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.871 103.1 61.2 -52.8 -38.7 34.9 11.3 5.4 56 60 A N T 3<5S- 0 0 134 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.367 130.6 -87.9 -79.8 4.5 35.2 8.9 2.5 57 61 A G T < 5S+ 0 0 48 -3,-2.2 2,-0.7 1,-0.2 -3,-0.2 0.449 88.1 120.0 114.2 5.3 38.5 7.6 3.7 58 62 A T < - 0 0 105 -5,-1.6 -1,-0.2 -4,-0.0 -2,-0.1 -0.877 52.6-144.8-101.8 109.5 41.4 9.7 2.3 59 63 A L - 0 0 58 -2,-0.7 339,-0.0 1,-0.1 224,-0.0 -0.339 26.3 -96.8 -69.8 150.2 43.3 11.2 5.2 60 64 A P + 0 0 20 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.269 51.5 157.2 -65.0 154.9 44.8 14.7 4.8 61 65 A D - 0 0 97 188,-0.1 191,-0.1 337,-0.0 3,-0.1 -0.921 47.6 -59.8-159.8 176.9 48.5 15.1 3.8 62 66 A F - 0 0 60 -2,-0.3 2,-0.5 1,-0.1 191,-0.1 -0.184 61.4 -98.7 -61.9 162.3 50.7 17.8 2.2 63 67 A I - 0 0 34 189,-0.5 3,-0.2 1,-0.2 -1,-0.1 -0.749 26.9-159.3 -91.0 123.6 49.8 19.0 -1.4 64 68 A S S > S+ 0 0 86 -2,-0.5 3,-1.6 1,-0.2 -1,-0.2 0.928 85.0 57.0 -69.7 -41.1 51.8 17.3 -4.1 65 69 A E T 3 S+ 0 0 156 1,-0.3 3,-0.5 2,-0.1 -1,-0.2 0.770 102.7 54.2 -66.5 -27.2 51.3 19.9 -6.9 66 70 A T T >> + 0 0 22 -3,-0.2 4,-1.6 1,-0.2 3,-1.3 0.159 69.0 117.1 -94.4 18.3 52.7 22.9 -4.9 67 71 A A H <> + 0 0 39 -3,-1.6 4,-2.1 1,-0.3 -1,-0.2 0.836 69.4 62.7 -52.8 -35.0 56.0 21.1 -4.1 68 72 A S H 34 S+ 0 0 93 -3,-0.5 -1,-0.3 1,-0.2 4,-0.1 0.809 102.9 48.9 -65.2 -30.6 57.9 23.8 -6.0 69 73 A I H X4 S+ 0 0 38 -3,-1.3 3,-1.1 1,-0.2 -1,-0.2 0.933 112.9 46.8 -70.0 -46.1 56.6 26.5 -3.6 70 74 A R H 3< S+ 0 0 46 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.799 114.7 45.6 -69.7 -30.1 57.7 24.5 -0.5 71 75 A D T 3< S+ 0 0 131 -4,-2.1 2,-0.3 -5,-0.2 -1,-0.2 0.241 97.6 88.9-102.2 13.7 61.1 23.6 -1.8 72 76 A A S < S- 0 0 38 -3,-1.1 2,-0.4 -4,-0.1 -3,-0.0 -0.779 79.7-115.2-103.9 152.4 62.0 27.1 -3.1 73 77 A D + 0 0 154 -2,-0.3 2,-0.3 2,-0.0 245,-0.1 -0.748 57.2 124.1 -84.8 131.8 63.7 29.9 -1.1 74 78 A W - 0 0 30 -2,-0.4 2,-0.3 243,-0.3 185,-0.0 -0.910 36.9-148.2-176.2 160.2 61.6 33.0 -0.5 75 79 A K - 0 0 127 -2,-0.3 244,-0.2 1,-0.1 243,-0.1 -0.867 31.9 -83.3-134.4 167.3 60.3 35.0 2.4 76 80 A I - 0 0 15 242,-2.8 187,-0.2 -2,-0.3 3,-0.1 -0.226 48.6-105.6 -62.2 161.2 57.4 37.1 3.4 77 81 A R S S- 0 0 144 185,-2.6 2,-0.3 1,-0.2 186,-0.1 0.911 76.6 -67.7 -60.9 -44.6 57.4 40.8 2.2 78 82 A G - 0 0 27 187,-0.4 -1,-0.2 184,-0.4 241,-0.0 -0.912 31.4-110.7 165.8 168.6 58.2 42.2 5.7 79 83 A I - 0 0 36 -2,-0.3 5,-0.1 -3,-0.1 187,-0.0 -0.985 36.0-122.8-124.1 127.6 57.4 42.9 9.3 80 84 A P > - 0 0 35 0, 0.0 3,-2.2 0, 0.0 4,-0.2 -0.296 30.9-104.1 -70.0 159.7 56.9 46.5 10.5 81 85 A A G > S+ 0 0 79 1,-0.3 3,-1.3 2,-0.2 4,-0.2 0.844 118.6 52.9 -52.3 -42.3 59.0 47.9 13.3 82 86 A D G 3 S+ 0 0 40 120,-0.3 -1,-0.3 1,-0.3 76,-0.1 0.466 106.9 53.4 -81.8 2.7 56.3 47.6 16.0 83 87 A L G < S+ 0 0 1 -3,-2.2 -1,-0.3 1,-0.1 -2,-0.2 0.222 81.7 90.0-113.9 12.7 55.7 43.9 15.2 84 88 A E S < S+ 0 0 72 -3,-1.3 2,-0.4 1,-0.2 -2,-0.1 0.619 90.7 44.7 -80.9 -15.6 59.4 42.8 15.5 85 89 A D + 0 0 33 -4,-0.2 -1,-0.2 -3,-0.1 299,-0.1 -0.940 58.3 144.8-132.7 108.2 59.0 42.1 19.3 86 90 A R + 0 0 0 -2,-0.4 274,-0.4 297,-0.4 3,-0.1 -0.169 14.4 145.1-132.6 39.2 55.8 40.2 20.2 87 91 A R S S+ 0 0 19 296,-0.2 273,-1.0 272,-0.2 2,-0.4 0.801 75.3 18.6 -61.6 -33.8 57.1 38.1 23.1 88 92 A V E -c 360 0B 0 271,-0.2 20,-2.4 -3,-0.1 21,-1.1 -0.995 68.0-177.9-134.2 135.3 53.8 38.3 25.0 89 93 A E E -cd 361 109B 0 271,-2.5 273,-2.0 -2,-0.4 2,-0.4 -0.968 14.7-147.1-122.3 144.3 50.4 39.2 23.7 90 94 A I E -cd 362 110B 4 19,-2.5 21,-2.8 -2,-0.4 2,-0.3 -0.890 12.3-156.1-106.4 141.6 47.2 39.5 25.7 91 95 A T E + d 0 111B 16 271,-1.9 21,-0.2 -2,-0.4 19,-0.0 -0.844 26.6 132.7-111.3 152.6 43.8 38.6 24.1 92 96 A G E - d 0 112B 5 19,-1.8 21,-2.6 -2,-0.3 25,-0.1 -0.958 48.4 -60.8 178.0 170.7 40.4 39.9 25.2 93 97 A P E - d 0 113B 16 0, 0.0 21,-0.1 0, 0.0 25,-0.1 -0.097 41.0-118.8 -59.3 162.3 37.0 41.3 24.3 94 98 A V + 0 0 5 19,-0.7 37,-0.2 18,-0.1 38,-0.1 0.248 68.1 131.4 -89.9 11.8 36.4 44.7 22.7 95 99 A E > - 0 0 82 1,-0.1 4,-2.2 36,-0.1 5,-0.2 -0.381 67.9-114.1 -65.5 147.7 34.4 46.0 25.7 96 100 A R H > S+ 0 0 57 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.875 109.5 40.8 -61.4 -52.2 35.6 49.5 26.7 97 101 A K H > S+ 0 0 40 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.914 115.3 53.3 -61.9 -42.0 37.1 48.9 30.2 98 102 A M H > S+ 0 0 74 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.871 105.9 53.6 -60.4 -40.5 38.7 45.6 29.0 99 103 A V H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.931 110.7 46.3 -61.3 -45.2 40.4 47.4 26.1 100 104 A I H X S+ 0 0 0 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.945 113.7 47.9 -62.6 -48.8 42.0 49.9 28.4 101 105 A N H < S+ 0 0 52 -4,-2.6 4,-0.5 1,-0.2 -1,-0.2 0.881 113.3 48.4 -61.7 -38.0 43.2 47.3 30.9 102 106 A A H >< S+ 0 0 7 -4,-2.4 3,-1.2 1,-0.2 -1,-0.2 0.930 110.5 49.4 -68.9 -46.0 44.7 45.2 28.1 103 107 A L H 3< S+ 0 0 5 -4,-2.4 54,-2.0 1,-0.3 -1,-0.2 0.783 112.4 50.4 -64.1 -27.1 46.5 48.0 26.4 104 108 A N T 3< S+ 0 0 42 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.502 89.1 106.8 -86.1 -8.5 47.9 49.0 29.8 105 109 A A S < S- 0 0 8 -3,-1.2 2,-2.2 -4,-0.5 52,-0.2 -0.279 88.6-100.0 -70.2 159.1 49.2 45.5 30.6 106 110 A N S S+ 0 0 79 259,-0.3 2,-0.3 51,-0.0 266,-0.2 -0.473 86.7 108.9 -79.9 69.8 52.9 44.7 30.6 107 111 A V S S- 0 0 14 -2,-2.2 -18,-0.2 -5,-0.2 3,-0.1 -0.869 72.0-128.0-136.2 168.0 52.7 43.0 27.1 108 112 A K S S+ 0 0 75 -20,-2.4 50,-2.4 -2,-0.3 2,-0.3 0.831 89.1 22.0 -85.6 -35.9 53.8 43.9 23.6 109 113 A V E -de 89 158B 0 -21,-1.1 -19,-2.5 48,-0.3 2,-0.5 -0.980 56.8-152.9-139.1 142.3 50.5 43.4 21.8 110 114 A F E -de 90 159B 0 48,-2.9 50,-2.4 -2,-0.3 2,-0.9 -0.988 12.3-155.0-112.3 120.4 46.7 43.4 22.6 111 115 A M E -de 91 160B 0 -21,-2.8 -19,-1.8 -2,-0.5 2,-0.4 -0.863 11.7-153.2 -92.6 104.1 44.6 41.3 20.3 112 116 A A E -de 92 161B 0 48,-2.3 50,-3.0 -2,-0.9 2,-0.6 -0.684 19.5-139.8 -78.8 126.7 41.1 42.9 20.5 113 117 A D E +de 93 162B 1 -21,-2.6 -19,-0.7 -2,-0.4 50,-0.1 -0.816 43.9 160.6-111.9 116.9 38.7 40.1 19.8 114 118 A F S S+ 0 0 1 48,-2.4 49,-0.1 -2,-0.6 -1,-0.1 0.373 77.5 61.3 -94.3 -0.1 35.5 40.1 17.7 115 119 A E S > S- 0 0 6 47,-0.2 3,-2.4 48,-0.1 49,-0.1 0.533 111.6 -6.5-102.3-120.3 35.7 36.3 17.4 116 120 A D T 3 S+ 0 0 12 1,-0.3 328,-1.6 327,-0.1 48,-0.0 0.710 130.4 50.3 -62.3 -26.0 35.7 33.5 20.0 117 121 A S T 3 S+ 0 0 4 326,-0.2 316,-0.5 -25,-0.1 2,-0.5 0.506 102.4 76.6 -88.8 1.9 35.8 35.7 23.1 118 122 A L < - 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0 0 15 1,-0.1 4,-1.5 42,-0.0 3,-0.4 -0.965 68.1-116.2-146.6 160.2 43.2 26.4 3.1 215 219 A W H > S+ 0 0 77 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.817 114.8 62.1 -64.8 -29.5 45.7 28.4 1.1 216 220 A Q H > S+ 0 0 84 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.856 101.9 51.6 -66.1 -32.5 42.9 29.5 -1.2 217 221 A E H > S+ 0 0 3 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.911 109.4 49.8 -66.9 -40.3 41.2 31.1 1.9 218 222 A A H X S+ 0 0 0 -4,-1.5 4,-2.2 1,-0.2 -2,-0.2 0.903 108.5 53.1 -62.0 -40.1 44.5 32.9 2.5 219 223 A A H X S+ 0 0 28 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.882 106.2 53.4 -62.9 -38.7 44.6 34.0 -1.1 220 224 A W H X S+ 0 0 8 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.940 108.0 50.1 -60.9 -47.2 41.0 35.5 -0.7 221 225 A W H X S+ 0 0 4 -4,-2.2 4,-3.0 1,-0.2 5,-0.2 0.905 107.7 53.5 -58.3 -40.7 42.2 37.5 2.3 222 226 A S H X S+ 0 0 13 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.885 109.3 49.0 -64.7 -33.7 45.2 38.8 0.3 223 227 A E H X S+ 0 0 116 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.906 111.7 48.7 -68.0 -42.4 42.7 40.0 -2.4 224 228 A V H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.943 114.3 45.7 -60.2 -49.2 40.5 41.7 0.2 225 229 A F H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.905 112.5 50.4 -62.3 -42.0 43.6 43.4 1.7 226 230 A S H X S+ 0 0 22 -4,-2.4 4,-2.8 -5,-0.2 -1,-0.2 0.888 109.5 51.3 -65.8 -37.8 44.9 44.4 -1.7 227 231 A Y H X S+ 0 0 59 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.927 112.1 46.9 -61.7 -45.4 41.5 45.9 -2.6 228 232 A A H X S+ 0 0 0 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.918 113.4 48.4 -63.8 -45.3 41.4 47.9 0.6 229 233 A E H ><>S+ 0 0 0 -4,-2.7 5,-2.9 1,-0.2 3,-0.5 0.956 114.1 45.7 -58.8 -51.1 45.0 49.1 0.2 230 234 A D H ><5S+ 0 0 96 -4,-2.8 3,-1.6 1,-0.2 -2,-0.2 0.895 105.8 60.3 -62.4 -39.9 44.4 50.1 -3.4 231 235 A R H 3<5S+ 0 0 87 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.849 116.2 32.8 -56.1 -37.8 41.1 51.9 -2.6 232 236 A F T <<5S- 0 0 37 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.105 115.5-111.3-109.9 20.9 43.0 54.3 -0.2 233 237 A N T < 5 + 0 0 148 -3,-1.6 -3,-0.2 1,-0.2 -4,-0.1 0.840 62.3 156.0 55.3 41.1 46.2 54.4 -2.2 234 238 A L < - 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h 0 269B 5 -35,-2.2 2,-0.9 -2,-0.5 -32,-0.5 -0.542 4.0-150.7 -73.3 133.2 46.1 31.1 13.5 245 249 A I + 0 0 0 24,-2.6 26,-0.5 -2,-0.3 30,-0.1 -0.874 48.6 136.0 -99.5 92.3 46.8 27.6 12.4 246 250 A E + 0 0 11 -2,-0.9 2,-0.3 -34,-0.4 32,-0.3 0.005 45.3 75.2-136.0 25.4 43.9 26.1 14.5 247 251 A T S > S- 0 0 6 -35,-0.2 4,-0.9 1,-0.1 28,-0.1 -0.976 77.1-127.3-132.8 150.7 42.4 23.6 12.1 248 252 A L H >> S+ 0 0 0 -2,-0.3 3,-0.8 27,-0.2 4,-0.5 0.922 108.8 54.8 -63.9 -44.7 43.7 20.2 11.0 249 253 A P H >4 S+ 0 0 22 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 0.906 104.4 56.1 -55.4 -38.1 43.4 21.0 7.3 250 254 A A H >4 S+ 0 0 0 -38,-0.3 3,-1.8 1,-0.2 -2,-0.2 0.768 91.1 69.9 -66.8 -26.8 45.5 24.1 7.7 251 255 A V H << S+ 0 0 1 -4,-0.9 3,-0.4 -3,-0.8 -1,-0.2 0.745 99.8 50.4 -67.1 -18.2 48.5 22.3 9.3 252 256 A F T << S+ 0 0 4 -3,-1.2 -189,-0.5 -4,-0.5 -1,-0.3 0.418 114.0 44.5 -92.2 -1.2 49.2 20.7 5.9 253 257 A Q S <> S+ 0 0 27 -3,-1.8 4,-2.4 -4,-0.2 5,-0.2 0.068 70.1 119.6-130.8 21.9 49.1 24.0 4.1 254 258 A M H > S+ 0 0 5 -3,-0.4 4,-2.4 1,-0.2 5,-0.2 0.892 80.4 45.7 -61.7 -41.2 51.2 26.4 6.2 255 259 A D H > S+ 0 0 11 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.916 114.0 48.3 -70.2 -40.4 53.8 27.2 3.6 256 260 A E H > S+ 0 0 4 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.842 111.3 51.8 -66.3 -33.1 51.1 27.7 0.9 257 261 A I H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.939 109.8 48.4 -66.5 -48.2 49.2 30.0 3.3 258 262 A L H < S+ 0 0 0 -4,-2.4 7,-0.2 -5,-0.2 -2,-0.2 0.896 115.3 46.3 -57.4 -39.8 52.4 32.0 4.0 259 263 A H H >< S+ 0 0 60 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.930 110.9 49.7 -70.2 -45.6 53.0 32.2 0.2 260 264 A A H 3< S+ 0 0 21 -4,-2.7 3,-0.2 1,-0.3 -1,-0.2 0.809 123.1 33.4 -64.9 -29.9 49.4 33.2 -0.7 261 265 A L T >X S+ 0 0 0 -4,-2.0 4,-2.9 -5,-0.2 3,-1.9 0.103 81.4 127.5-108.8 21.7 49.4 35.9 1.9 262 266 A R T <4 + 0 0 85 -3,-1.4 -185,-2.6 1,-0.3 -184,-0.4 0.757 69.0 54.9 -58.7 -28.9 53.1 36.8 1.6 263 267 A D T 34 S+ 0 0 39 -4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.787 125.4 21.4 -68.5 -28.7 52.5 40.6 1.0 264 268 A H T <4 S+ 0 0 0 -3,-1.9 -23,-2.6 -24,-0.1 -2,-0.2 0.615 96.9 99.9-116.5 -23.2 50.5 40.8 4.3 265 269 A I E < +h 241 0B 0 -4,-2.9 -187,-0.4 -7,-0.2 -23,-0.2 -0.475 29.3 167.5 -82.1 142.5 51.3 38.0 6.6 266 270 A V E - 0 0 0 -25,-2.4 55,-2.6 1,-0.4 2,-0.3 0.411 62.9 -9.4-127.8 -4.0 53.8 38.4 9.5 267 271 A G E -hi 242 321B 0 -26,-0.7 -24,-2.5 53,-0.3 -1,-0.4 -0.956 48.6-131.7 179.1 162.1 53.2 35.2 11.5 268 272 A L E -hi 243 322B 0 53,-2.3 55,-3.0 -2,-0.3 2,-0.4 -0.903 24.9-142.0-121.4 158.2 51.3 32.0 12.3 269 273 A N E -hi 244 323B 1 -26,-1.3 -24,-2.6 -2,-0.3 2,-0.3 -0.956 3.2-145.4-124.9 140.8 50.1 30.7 15.7 270 274 A C + 0 0 5 53,-2.8 2,-0.3 -2,-0.4 -24,-0.1 -0.737 26.9 168.6 -87.7 148.4 49.8 27.4 17.5 271 275 A G - 0 0 18 -26,-0.5 54,-0.1 -2,-0.3 37,-0.0 -0.891 28.2-142.1-144.3-179.5 46.9 26.8 19.8 272 276 A R S > S+ 0 0 69 -2,-0.3 4,-2.4 3,-0.1 5,-0.3 0.813 84.0 41.8-109.5 -62.4 45.3 23.9 21.6 273 277 A W H > S+ 0 0 53 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.907 115.0 43.8 -69.8 -49.3 41.5 23.8 21.8 274 278 A D H > S+ 0 0 11 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.898 115.1 53.4 -58.6 -38.9 40.4 24.9 18.3 275 279 A Y H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -27,-0.2 0.938 112.5 40.1 -65.3 -47.3 43.0 22.6 16.8 276 280 A I H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.861 113.2 56.1 -74.2 -30.7 41.9 19.5 18.6 277 281 A F H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.3 -2,-0.2 0.952 111.5 44.8 -53.5 -51.1 38.3 20.4 18.1 278 282 A S H X S+ 0 0 5 -4,-2.7 4,-3.1 -32,-0.3 5,-0.3 0.863 106.5 59.4 -64.0 -38.6 39.1 20.5 14.4 279 283 A Y H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.950 110.8 42.3 -53.1 -49.3 41.1 17.2 14.6 280 284 A I H < S+ 0 0 1 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.929 115.4 48.4 -66.9 -46.4 37.9 15.5 15.8 281 285 A K H >< S+ 0 0 22 -4,-2.5 3,-1.0 1,-0.2 -1,-0.2 0.918 115.1 45.7 -56.8 -45.2 35.6 17.3 13.3 282 286 A T H 3< S+ 0 0 4 -4,-3.1 3,-0.3 1,-0.2 -2,-0.2 0.904 122.9 34.4 -68.3 -41.6 37.9 16.5 10.4 283 287 A L T >< S+ 0 0 0 -4,-2.4 3,-2.2 -5,-0.3 -1,-0.2 0.050 80.9 129.1-101.0 26.6 38.4 12.9 11.4 284 288 A K T < S+ 0 0 34 -3,-1.0 -1,-0.2 1,-0.3 -2,-0.1 0.750 71.6 47.8 -56.8 -31.4 34.8 12.5 12.7 285 289 A N T 3 S+ 0 0 60 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.356 88.0 99.9 -95.3 8.9 34.1 9.3 10.7 286 290 A Y X - 0 0 31 -3,-2.2 3,-1.9 1,-0.1 174,-0.1 -0.823 54.1-163.4-100.6 108.6 37.4 7.4 11.6 287 291 A P G > S+ 0 0 79 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.746 90.7 54.9 -61.6 -22.8 36.9 4.9 14.4 288 292 A D G 3 S+ 0 0 143 1,-0.2 -2,-0.0 116,-0.0 0, 0.0 0.279 96.4 67.1 -93.8 12.0 40.7 4.7 15.0 289 293 A R G < + 0 0 53 -3,-1.9 2,-0.5 -6,-0.2 -1,-0.2 -0.023 64.0 138.3-120.1 30.2 41.1 8.5 15.6 290 294 A V < - 0 0 19 -3,-0.5 163,-0.0 114,-0.1 -6,-0.0 -0.648 43.8-143.6 -79.7 121.8 39.1 8.8 18.8 291 295 A L - 0 0 4 -2,-0.5 3,-0.2 1,-0.1 115,-0.1 -0.585 10.6-129.0 -84.5 146.7 40.9 11.2 21.3 292 296 A P - 0 0 5 0, 0.0 117,-0.3 0, 0.0 5,-0.1 -0.003 65.8 -28.0 -75.4-170.7 40.9 10.6 25.0 293 297 A D >> - 0 0 18 115,-2.7 3,-1.8 1,-0.2 4,-0.5 -0.153 59.1-136.8 -40.9 125.6 39.9 13.2 27.7 294 298 A R G >4 S+ 0 0 13 1,-0.3 3,-1.1 2,-0.2 -1,-0.2 0.825 104.7 66.3 -60.7 -29.1 40.6 16.6 26.1 295 299 A Q G 34 S+ 0 0 68 1,-0.2 -1,-0.3 3,-0.0 -2,-0.1 0.798 104.3 45.3 -57.6 -29.8 42.1 17.6 29.5 296 300 A A G <4 S+ 0 0 36 -3,-1.8 2,-1.7 112,-0.2 -1,-0.2 0.498 86.9 93.9 -91.7 -8.9 44.8 14.9 28.8 297 301 A V << + 0 0 0 -3,-1.1 2,-0.2 -4,-0.5 -1,-0.1 -0.622 63.7 171.4 -89.2 80.4 45.4 16.0 25.2 298 302 A T > - 0 0 37 -2,-1.7 3,-2.2 1,-0.1 6,-0.3 -0.493 48.4-106.1 -98.3 161.3 48.3 18.3 26.0 299 303 A M T 3 S+ 0 0 56 1,-0.3 9,-0.2 -2,-0.2 8,-0.1 0.662 115.2 63.4 -63.9 -17.5 50.7 20.2 23.8 300 304 A D T 3 S+ 0 0 105 4,-0.1 -1,-0.3 5,-0.1 -3,-0.0 0.527 75.8 111.5 -83.7 -7.0 53.6 17.8 24.7 301 305 A K S X> S- 0 0 59 -3,-2.2 4,-2.8 1,-0.1 3,-0.6 -0.369 84.9-107.9 -64.5 148.0 51.8 14.8 23.1 302 306 A P H 3> S+ 0 0 98 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.873 115.3 47.3 -50.1 -48.1 53.5 13.6 20.0 303 307 A F H 3> S+ 0 0 0 100,-0.4 4,-1.5 1,-0.2 -4,-0.1 0.855 117.0 43.7 -65.7 -32.3 51.0 14.9 17.4 304 308 A L H <> S+ 0 0 0 -3,-0.6 4,-2.4 -6,-0.3 -1,-0.2 0.853 112.3 51.5 -81.1 -35.0 50.8 18.3 19.0 305 309 A N H X S+ 0 0 46 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.871 109.2 52.0 -65.5 -36.5 54.5 18.6 19.5 306 310 A A H X S+ 0 0 2 -4,-2.4 4,-2.5 -5,-0.3 5,-0.2 0.920 108.9 50.8 -63.1 -43.8 55.0 17.7 15.8 307 311 A Y H X S+ 0 0 0 -4,-1.5 4,-2.5 -5,-0.2 -2,-0.2 0.943 111.7 47.7 -56.3 -49.5 52.5 20.5 15.0 308 312 A S H X S+ 0 0 8 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.939 114.3 44.8 -57.8 -51.8 54.4 23.0 17.1 309 313 A R H X S+ 0 0 46 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.867 113.8 49.4 -66.4 -37.8 57.8 22.1 15.6 310 314 A L H X S+ 0 0 23 -4,-2.5 4,-2.6 -5,-0.2 5,-0.2 0.918 111.3 49.6 -67.0 -42.8 56.6 22.1 12.0 311 315 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 -5,-0.2 5,-0.3 0.942 112.5 47.6 -61.2 -46.0 54.9 25.5 12.5 312 316 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.943 114.2 46.2 -60.4 -48.9 58.1 27.0 14.0 313 317 A K H X S+ 0 0 61 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.919 114.9 47.2 -60.1 -43.3 60.3 25.6 11.2 314 318 A T H X S+ 0 0 18 -4,-2.6 4,-1.1 2,-0.2 -2,-0.2 0.934 113.1 47.2 -69.0 -46.9 58.0 26.7 8.4 315 319 A C H ><>S+ 0 0 0 -4,-2.8 5,-2.6 -5,-0.2 3,-0.9 0.946 112.9 48.1 -57.2 -50.7 57.4 30.2 9.7 316 320 A H H ><5S+ 0 0 1 -4,-2.5 3,-1.2 1,-0.3 -1,-0.2 0.853 103.2 61.4 -68.0 -29.9 61.1 30.8 10.3 317 321 A K H 3<5S+ 0 0 80 -4,-2.0 -243,-0.3 1,-0.2 -1,-0.3 0.848 112.9 39.4 -55.4 -36.2 62.0 29.5 6.8 318 322 A R T <<5S- 0 0 1 -4,-1.1 -242,-2.8 -3,-0.9 -1,-0.2 0.321 118.2-108.5-100.1 6.1 59.9 32.4 5.5 319 323 A G T < 5S+ 0 0 16 -3,-1.2 2,-0.3 -4,-0.3 -3,-0.2 0.714 76.2 133.1 72.4 22.2 60.9 35.1 8.0 320 324 A A < - 0 0 0 -5,-2.6 -53,-0.3 -6,-0.2 -1,-0.3 -0.745 60.4-101.9-104.7 151.3 57.5 35.0 9.7 321 325 A F E -i 267 0B 0 -55,-2.6 -53,-2.3 -2,-0.3 2,-0.5 -0.354 22.0-151.0 -66.4 149.7 56.8 34.8 13.5 322 326 A A E -i 268 0B 0 -55,-0.2 36,-2.2 34,-0.2 37,-0.7 -0.937 18.9-160.3-123.4 101.8 55.7 31.5 15.1 323 327 A M E -ij 269 359B 0 -55,-3.0 -53,-2.8 -2,-0.5 37,-0.2 -0.651 5.1-139.7 -92.2 141.0 53.5 32.3 18.1 324 328 A G E - 0 0 0 35,-3.0 -1,-0.1 -2,-0.3 25,-0.1 -0.145 29.2 -87.6 -84.8-174.7 52.8 29.9 20.9 325 329 A G E - 0 0 9 35,-0.1 36,-2.4 1,-0.1 2,-0.4 0.109 44.2 -66.6 -93.8-160.8 49.6 29.2 22.7 326 330 A M E - j 0 361B 74 34,-0.2 2,-0.6 36,-0.0 36,-0.2 -0.700 16.1-166.7-103.5 134.3 47.4 30.4 25.6 327 331 A A E + j 0 362B 4 34,-1.7 36,-1.2 -2,-0.4 37,-0.4 -0.964 18.2 178.4-108.1 106.8 47.8 30.5 29.4 328 332 A A + 0 0 17 -2,-0.6 113,-2.8 34,-0.2 -1,-0.1 0.287 26.0 136.8 -97.6 7.9 44.3 31.3 30.4 329 333 A F B -L 440 0D 45 111,-0.2 111,-0.2 12,-0.1 34,-0.2 -0.245 47.2-144.4 -63.1 141.9 44.7 31.2 34.2 330 334 A I - 0 0 49 109,-2.5 -1,-0.1 33,-0.1 -2,-0.1 -0.923 25.2-148.9-104.7 104.3 43.1 33.9 36.3 331 335 A P - 0 0 18 0, 0.0 2,-0.1 0, 0.0 35,-0.1 -0.337 16.3-104.0 -76.2 158.2 45.5 34.5 39.2 332 336 A S - 0 0 57 2,-0.2 6,-0.1 1,-0.1 5,-0.0 -0.415 21.9-123.8 -69.4 152.7 44.6 35.6 42.7 333 337 A K S S+ 0 0 92 -2,-0.1 2,-0.7 1,-0.1 -1,-0.1 0.719 101.5 75.6 -66.3 -23.2 45.2 39.2 43.8 334 338 A D S > S- 0 0 54 1,-0.1 3,-2.0 3,-0.0 -2,-0.2 -0.849 74.0-155.5 -94.1 111.3 47.3 37.6 46.6 335 339 A E G > S+ 0 0 165 -2,-0.7 3,-1.9 1,-0.3 4,-0.2 0.778 88.8 70.5 -54.4 -32.1 50.6 36.4 45.2 336 340 A E G 3 S+ 0 0 86 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.685 98.2 50.3 -61.9 -19.4 50.9 33.9 48.0 337 341 A H G < S+ 0 0 73 -3,-2.0 -1,-0.3 1,-0.2 4,-0.2 0.358 97.6 69.9 -98.5 4.9 48.1 31.9 46.5 338 342 A N <> + 0 0 14 -3,-1.9 4,-2.9 -4,-0.2 5,-0.3 0.331 59.3 106.2-108.6 7.5 49.5 31.7 42.9 339 343 A N H > S+ 0 0 106 -3,-0.3 4,-2.3 1,-0.2 5,-0.2 0.900 83.0 45.3 -57.2 -48.0 52.6 29.4 43.2 340 344 A Q H > S+ 0 0 171 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.934 116.6 44.8 -64.6 -47.6 51.0 26.4 41.5 341 345 A V H > S+ 0 0 42 -4,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.927 114.6 47.8 -62.5 -46.3 49.6 28.4 38.6 342 346 A L H X S+ 0 0 33 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.867 109.5 53.6 -68.4 -32.9 52.7 30.4 38.0 343 347 A N H X S+ 0 0 96 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.891 110.4 47.9 -63.4 -39.9 54.9 27.3 38.1 344 348 A K H X S+ 0 0 99 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.924 111.7 49.5 -64.3 -46.1 52.7 25.8 35.4 345 349 A V H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.933 111.2 49.9 -58.5 -46.9 52.9 29.0 33.4 346 350 A K H X S+ 0 0 97 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.916 112.2 47.3 -59.4 -44.5 56.7 29.0 33.7 347 351 A A H X S+ 0 0 51 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.929 115.7 44.1 -63.3 -46.1 56.9 25.4 32.6 348 352 A D H X S+ 0 0 47 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.908 115.8 45.8 -67.6 -44.7 54.6 25.8 29.6 349 353 A K H X S+ 0 0 2 -4,-2.9 4,-2.7 -5,-0.2 5,-0.2 0.856 110.2 54.9 -68.9 -34.4 56.1 29.1 28.4 350 354 A S H X S+ 0 0 41 -4,-2.1 4,-2.9 -5,-0.3 -1,-0.2 0.904 106.4 52.2 -62.6 -41.7 59.7 27.7 28.8 351 355 A L H X S+ 0 0 95 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.930 112.4 45.6 -57.1 -47.8 58.7 24.7 26.6 352 356 A E H X>S+ 0 0 30 -4,-1.9 5,-2.2 2,-0.2 4,-0.8 0.927 114.2 46.7 -63.4 -48.1 57.5 27.1 23.9 353 357 A A H ><5S+ 0 0 0 -4,-2.7 3,-1.0 1,-0.2 -2,-0.2 0.919 111.6 51.6 -62.2 -43.5 60.5 29.4 24.1 354 358 A N H 3<5S+ 0 0 116 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.823 106.0 55.5 -62.8 -32.3 62.9 26.5 24.0 355 359 A N H 3<5S- 0 0 35 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.661 126.8 -99.9 -72.1 -19.1 61.1 25.2 20.9 356 360 A G T <<5 + 0 0 0 -3,-1.0 -3,-0.2 -4,-0.8 -34,-0.2 0.507 63.5 159.5 112.5 8.2 61.7 28.5 19.2 357 361 A H < - 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0 0 58 -5,-2.6 8,-3.0 8,-0.1 2,-0.3 -0.519 24.4-129.7 -87.1 152.8 33.0 4.1 22.8 463 467 A T B -N 469 0E 64 6,-0.3 -54,-0.2 -2,-0.2 2,-0.1 -0.729 18.8-120.2 -94.9 149.1 33.2 3.0 26.5 464 468 A L > - 0 0 1 4,-2.8 3,-2.4 -2,-0.3 -54,-0.2 -0.410 39.4 -99.2 -72.8 165.2 34.5 5.1 29.3 465 469 A S T 3 S+ 0 0 65 -56,-2.9 -55,-0.1 1,-0.3 -1,-0.1 0.694 125.5 59.6 -63.4 -19.9 37.5 3.7 31.2 466 470 A N T 3 S- 0 0 80 -57,-0.3 -1,-0.3 2,-0.1 -56,-0.1 0.393 123.7-104.2 -86.6 1.9 35.0 2.5 33.9 467 471 A G S < S+ 0 0 46 -3,-2.4 -2,-0.1 1,-0.3 0, 0.0 0.209 73.9 140.2 99.3 -13.5 33.2 0.3 31.3 468 472 A K - 0 0 84 -5,-0.1 -4,-2.8 1,-0.1 -1,-0.3 -0.467 54.3-124.0 -68.3 122.2 30.1 2.5 30.8 469 473 A P B -N 463 0E 84 0, 0.0 2,-0.6 0, 0.0 -6,-0.3 -0.496 23.0-125.9 -63.2 130.3 29.0 2.7 27.1 470 474 A V + 0 0 3 -8,-3.0 2,-0.3 -2,-0.2 -8,-0.1 -0.706 47.3 154.6 -81.0 117.3 28.8 6.4 26.0 471 475 A T > - 0 0 59 -2,-0.6 4,-2.4 -10,-0.1 5,-0.2 -0.866 59.8-103.1-134.5 168.6 25.4 7.0 24.6 472 476 A K H > S+ 0 0 62 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.900 123.4 53.0 -58.6 -40.4 22.9 9.9 24.1 473 477 A A H > S+ 0 0 65 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.906 107.9 49.2 -63.0 -43.6 21.0 8.5 27.1 474 478 A L H > S+ 0 0 23 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.927 111.5 50.1 -61.4 -46.0 24.1 8.5 29.3 475 479 A F H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.923 110.2 49.7 -57.6 -46.6 24.9 12.1 28.3 476 480 A R H X S+ 0 0 110 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.898 111.6 48.9 -62.2 -41.0 21.4 13.3 29.0 477 481 A Q H X S+ 0 0 117 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.943 114.0 45.6 -60.9 -49.1 21.5 11.6 32.5 478 482 A M H X S+ 0 0 1 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.872 108.3 57.7 -63.7 -38.4 24.9 13.2 33.2 479 483 A L H X S+ 0 0 14 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.949 107.9 46.3 -56.9 -50.5 23.7 16.6 31.9 480 484 A G H X S+ 0 0 39 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.900 114.5 48.4 -58.2 -42.2 20.8 16.6 34.4 481 485 A E H X S+ 0 0 74 -4,-1.9 4,-1.2 1,-0.2 3,-0.4 0.905 111.1 48.5 -66.7 -43.2 23.1 15.6 37.2 482 486 A E H X S+ 0 0 13 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.784 102.1 63.4 -72.7 -25.0 25.8 18.2 36.4 483 487 A M H X S+ 0 0 24 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.877 103.2 50.2 -61.6 -37.0 23.2 21.0 36.3 484 488 A K H X S+ 0 0 160 -4,-1.0 4,-2.0 -3,-0.4 -2,-0.2 0.859 108.7 51.7 -68.8 -35.6 22.6 20.3 40.0 485 489 A V H X S+ 0 0 50 -4,-1.2 4,-2.2 2,-0.2 -2,-0.2 0.943 110.0 48.5 -64.4 -47.5 26.3 20.5 40.6 486 490 A I H X S+ 0 0 1 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.921 110.1 52.8 -56.8 -45.4 26.5 23.9 38.9 487 491 A A H X S+ 0 0 27 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.896 109.6 48.1 -57.2 -43.2 23.4 25.0 40.9 488 492 A S H < S+ 0 0 103 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.871 113.4 48.1 -65.7 -39.3 25.2 24.0 44.2 489 493 A E H < S+ 0 0 95 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.884 120.7 34.2 -69.3 -41.2 28.4 25.8 43.1 490 494 A L H < S- 0 0 63 -4,-2.5 4,-0.4 -5,-0.2 -2,-0.2 0.722 108.2-125.1 -89.3 -24.7 26.8 29.1 42.0 491 495 A G X - 0 0 29 -4,-2.1 4,-2.1 -5,-0.3 5,-0.2 -0.054 30.2 -74.8 92.1 162.1 23.9 29.2 44.6 492 496 A E H > S+ 0 0 83 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.859 125.1 52.6 -62.8 -41.0 20.1 29.6 44.1 493 497 A E H > S+ 0 0 79 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.945 114.2 39.6 -63.5 -52.8 20.1 33.3 43.2 494 498 A R H > S+ 0 0 119 -4,-0.4 4,-0.8 2,-0.2 -1,-0.2 0.890 120.2 46.4 -63.8 -41.4 22.7 33.1 40.4 495 499 A F H <>S+ 0 0 41 -4,-2.1 5,-0.5 -8,-0.2 3,-0.3 0.935 113.9 43.8 -71.1 -49.2 21.4 29.8 39.0 496 500 A S H <5S+ 0 0 95 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.858 117.7 45.4 -66.3 -37.6 17.7 30.5 38.9 497 501 A Q H <5S+ 0 0 85 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.613 103.3 84.9 -81.0 -14.7 18.1 34.0 37.5 498 502 A G T <5S- 0 0 21 -4,-0.8 3,-0.3 -3,-0.3 -3,-0.1 -0.043 90.8-108.4 -76.8-175.3 20.6 32.8 34.9 499 503 A R T >5S+ 0 0 93 1,-0.2 4,-2.0 -73,-0.1 5,-0.1 -0.203 71.7 127.8-108.8 40.3 20.0 31.2 31.5 500 504 A F H >< + 0 0 3 -5,-0.5 4,-2.5 2,-0.2 5,-0.2 0.802 67.0 57.8 -72.8 -31.2 21.0 27.7 32.4 501 505 A D H > S+ 0 0 118 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.950 112.1 42.0 -58.4 -49.7 17.8 26.0 31.2 502 506 A D H > S+ 0 0 65 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.854 113.7 52.8 -68.0 -35.4 18.5 27.5 27.7 503 507 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.909 109.0 48.9 -66.8 -43.4 22.2 26.6 27.9 504 508 A A H X S+ 0 0 13 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.886 110.6 52.0 -63.0 -39.8 21.5 23.0 28.8 505 509 A R H X S+ 0 0 156 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.925 111.4 45.4 -63.2 -46.1 19.0 22.7 25.9 506 510 A L H X S+ 0 0 4 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.924 112.6 51.8 -63.0 -43.5 21.6 24.1 23.4 507 511 A M H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 5,-0.2 0.926 111.9 46.4 -57.7 -45.8 24.3 21.8 24.8 508 512 A E H X S+ 0 0 53 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.917 111.9 51.6 -62.8 -44.0 21.9 18.8 24.4 509 513 A Q H X S+ 0 0 93 -4,-2.5 4,-0.6 1,-0.2 -2,-0.2 0.920 115.1 40.5 -59.0 -47.3 21.0 19.9 20.9 510 514 A I H < S+ 0 0 4 -4,-2.7 7,-0.4 1,-0.2 -1,-0.2 0.703 120.3 43.5 -77.9 -20.8 24.6 20.2 19.7 511 515 A T H < S+ 0 0 1 -4,-1.6 -2,-0.2 -5,-0.2 -3,-0.2 0.817 115.7 42.6 -94.3 -34.9 25.9 17.1 21.5 512 516 A T H < S+ 0 0 12 -4,-2.4 -2,-0.1 -5,-0.2 -3,-0.1 0.388 83.3 116.2 -97.8 1.9 23.1 14.5 20.8 513 517 A S < - 0 0 33 -4,-0.6 4,-0.0 -5,-0.2 -3,-0.0 -0.402 68.3-131.4 -67.6 146.7 22.5 15.3 17.1 514 518 A D S S+ 0 0 126 -2,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.939 94.5 58.4 -63.2 -47.7 23.3 12.5 14.6 515 519 A E S S- 0 0 163 1,-0.0 2,-0.8 -3,-0.0 -2,-0.1 -0.636 92.1-121.0 -83.4 143.6 25.3 14.9 12.4 516 520 A L - 0 0 15 -2,-0.3 2,-0.1 -235,-0.1 -5,-0.1 -0.747 29.1-139.7 -84.2 108.7 28.3 16.8 13.9 517 521 A I - 0 0 52 -2,-0.8 3,-0.1 -7,-0.4 -4,-0.0 -0.427 9.3-130.2 -71.2 146.9 27.5 20.4 13.5 518 522 A D S S+ 0 0 101 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.874 82.7 7.2 -67.6 -42.4 30.5 22.6 12.5 519 523 A F > - 0 0 9 1,-0.1 3,-1.2 -352,-0.1 -1,-0.2 -0.984 52.8-146.5-148.5 131.8 30.2 25.4 15.1 520 524 A L T 3> S+ 0 0 2 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.725 96.9 72.5 -70.1 -20.2 28.0 25.9 18.2 521 525 A T H 3> S+ 0 0 12 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.724 87.5 63.2 -66.7 -23.1 28.0 29.6 17.5 522 526 A L H <> S+ 0 0 65 -3,-1.2 4,-0.7 2,-0.2 -1,-0.2 0.987 112.2 31.9 -70.4 -56.6 25.7 29.1 14.5 523 527 A P H >4 S+ 0 0 37 0, 0.0 3,-0.7 0, 0.0 4,-0.3 0.879 118.9 57.8 -64.3 -33.4 22.7 27.8 16.4 524 528 A G H >< S+ 0 0 0 -4,-2.3 3,-2.2 1,-0.2 4,-0.3 0.892 95.4 63.2 -58.7 -41.2 23.8 30.0 19.4 525 529 A Y H >< S+ 0 0 14 -4,-2.1 3,-1.5 1,-0.3 -1,-0.2 0.774 89.8 68.3 -59.7 -27.4 23.6 33.2 17.2 526 530 A R T << S+ 0 0 217 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.730 94.3 58.2 -61.4 -23.7 19.8 32.6 16.8 527 531 A L T < S+ 0 0 76 -3,-2.2 2,-0.3 -4,-0.3 -1,-0.3 0.534 92.4 83.4 -85.4 -8.0 19.4 33.4 20.5 528 532 A L < 0 0 9 -3,-1.5 -98,-0.0 -4,-0.3 -99,-0.0 -0.706 360.0 360.0 -94.1 148.8 21.0 36.8 20.1 529 533 A A 0 0 94 -2,-0.3 -407,-0.5 0, 0.0 -1,-0.1 -0.253 360.0 360.0 -59.9 360.0 18.8 39.8 18.9