==== 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 OXIDOREDUCTASE 22-APR-03 1P4C . COMPND 2 MOLECULE: L(+)-MANDELATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR N.SUKUMAR,B.MITRA,F.S.MATHEWS . 353 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15772.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 235 66.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 2.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 0.3 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 . 22 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 32.3 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 1 0 1 1 3 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 3 0 3 2 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 PARALLEL BRIDGES PER LADDER . 0 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 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 4 A N 0 0 164 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 111.5 94.8 74.1 8.9 2 5 A L + 0 0 53 1,-0.1 3,-0.1 6,-0.0 4,-0.0 -0.707 360.0 127.7-129.1 79.7 92.5 73.1 11.8 3 6 A F S S+ 0 0 149 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.456 71.5 10.4-114.0 -4.5 94.6 73.0 14.9 4 7 A N S > S- 0 0 31 -3,-0.1 4,-1.1 1,-0.1 3,-0.3 -0.941 86.5 -85.4-159.9 178.0 92.8 75.3 17.3 5 8 A V H > S+ 0 0 6 280,-0.4 4,-2.1 -2,-0.3 3,-0.4 0.883 121.1 58.3 -62.4 -40.1 89.5 77.2 17.8 6 9 A E H > S+ 0 0 84 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.866 100.9 57.1 -58.9 -36.4 90.7 80.2 15.9 7 10 A D H > S+ 0 0 25 -3,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.875 107.8 47.5 -63.1 -36.3 91.3 78.0 12.8 8 11 A Y H X S+ 0 0 6 -4,-1.1 4,-2.8 -3,-0.4 -1,-0.2 0.856 107.7 55.3 -73.2 -33.2 87.6 77.0 13.0 9 12 A R H X S+ 0 0 36 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.948 108.6 49.3 -61.5 -45.3 86.6 80.6 13.3 10 13 A K H X S+ 0 0 102 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.898 112.9 45.9 -59.4 -42.6 88.5 81.4 10.1 11 14 A L H X S+ 0 0 18 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.878 111.0 53.1 -69.2 -37.1 86.8 78.5 8.3 12 15 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 3,-0.2 0.904 105.6 54.0 -64.0 -40.8 83.4 79.4 9.6 13 16 A Q H < S+ 0 0 93 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.845 108.6 50.2 -63.0 -32.7 83.8 83.0 8.3 14 17 A K H < S+ 0 0 161 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.791 117.0 39.3 -75.8 -27.7 84.6 81.6 4.9 15 18 A R H < S+ 0 0 139 -4,-1.4 -2,-0.2 -3,-0.2 -1,-0.2 0.750 102.1 76.5 -95.8 -24.6 81.5 79.3 4.8 16 19 A L S < S- 0 0 18 -4,-2.5 67,-0.1 -5,-0.2 2,-0.1 -0.559 89.5-103.2 -88.6 149.4 78.9 81.5 6.4 17 20 A P >> - 0 0 84 0, 0.0 4,-2.5 0, 0.0 3,-0.9 -0.453 39.9-112.3 -65.6 145.7 77.1 84.4 4.7 18 21 A K H 3> S+ 0 0 140 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.879 116.0 51.5 -46.7 -49.2 78.6 87.7 6.0 19 22 A M H 3> S+ 0 0 73 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.829 111.1 47.6 -60.8 -34.1 75.5 88.7 7.8 20 23 A V H <> S+ 0 0 15 -3,-0.9 4,-2.0 2,-0.2 -1,-0.2 0.910 111.8 49.7 -74.0 -42.3 75.2 85.4 9.6 21 24 A Y H X S+ 0 0 11 -4,-2.5 4,-3.2 1,-0.2 5,-0.4 0.921 110.9 50.2 -61.0 -43.1 78.9 85.5 10.6 22 25 A D H X S+ 0 0 12 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.871 108.5 52.4 -62.7 -37.3 78.4 89.0 11.9 23 26 A Y H < S+ 0 0 24 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.874 116.2 41.1 -65.3 -36.4 75.4 87.9 13.9 24 27 A L H < S+ 0 0 6 -4,-2.0 -2,-0.2 1,-0.1 -1,-0.2 0.930 124.6 33.0 -75.8 -49.7 77.5 85.1 15.4 25 28 A E H < S+ 0 0 38 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.787 96.0 104.5 -81.1 -30.9 80.8 87.0 16.0 26 29 A G < - 0 0 1 -4,-2.3 2,-0.2 -5,-0.4 136,-0.1 0.011 47.7-164.8 -56.9 156.4 79.4 90.4 16.8 27 30 A G - 0 0 1 2,-0.2 137,-0.4 134,-0.1 136,-0.3 -0.706 36.7 -65.6-129.1-179.1 79.2 92.0 20.2 28 31 A A S > S- 0 0 1 226,-2.8 3,-2.4 -2,-0.2 5,-0.4 -0.469 86.4 -45.2 -75.1 141.8 77.4 95.0 21.7 29 32 A E T 3 S+ 0 0 88 132,-3.0 -2,-0.2 1,-0.3 134,-0.1 -0.011 130.5 8.1 41.6-118.9 78.3 98.5 20.5 30 33 A D T 3 S- 0 0 96 1,-0.1 -1,-0.3 133,-0.0 -2,-0.1 0.573 91.0-129.1 -71.8 -4.5 82.1 99.1 20.3 31 34 A E <> + 0 0 43 -3,-2.4 4,-1.1 223,-0.1 -2,-0.1 0.781 69.0 132.5 61.5 28.5 82.9 95.5 21.0 32 35 A Y H > + 0 0 152 -4,-0.3 4,-2.5 2,-0.2 5,-0.1 0.780 68.5 60.7 -74.9 -26.3 85.3 96.5 23.7 33 36 A G H > S+ 0 0 2 -5,-0.4 4,-2.6 2,-0.2 5,-0.2 0.941 101.6 46.3 -67.1 -50.6 83.5 93.8 25.7 34 37 A V H > S+ 0 0 28 220,-0.3 4,-1.1 1,-0.2 -1,-0.2 0.896 115.1 50.0 -60.7 -35.5 84.3 90.8 23.5 35 38 A K H X S+ 0 0 117 -4,-1.1 4,-3.0 1,-0.2 3,-0.5 0.923 110.4 48.5 -67.7 -43.5 87.9 92.1 23.4 36 39 A H H X S+ 0 0 60 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.871 104.4 61.0 -63.0 -36.5 88.1 92.5 27.2 37 40 A N H < S+ 0 0 3 -4,-2.6 4,-0.3 1,-0.2 -1,-0.2 0.841 113.3 37.2 -59.0 -34.5 86.7 88.9 27.5 38 41 A R H >< S+ 0 0 77 -4,-1.1 3,-1.2 -3,-0.5 4,-0.3 0.918 116.2 51.2 -81.7 -49.1 89.7 87.7 25.6 39 42 A D H >< S+ 0 0 73 -4,-3.0 3,-2.0 1,-0.2 -2,-0.2 0.806 94.3 71.4 -60.4 -33.1 92.3 90.0 27.1 40 43 A V G >< S+ 0 0 1 -4,-2.6 3,-2.0 1,-0.3 -1,-0.2 0.800 85.6 67.5 -57.9 -28.6 91.4 89.4 30.8 41 44 A F G X S+ 0 0 0 -3,-1.2 3,-1.4 -4,-0.3 -1,-0.3 0.763 87.9 67.3 -64.4 -21.2 92.9 85.9 30.6 42 45 A Q G < S+ 0 0 102 -3,-2.0 -1,-0.3 -4,-0.3 -2,-0.2 0.517 78.6 82.1 -76.6 -2.2 96.3 87.5 30.2 43 46 A Q G < S+ 0 0 92 -3,-2.0 310,-3.2 -4,-0.2 2,-0.4 0.549 94.4 51.3 -76.6 -7.6 95.9 88.7 33.8 44 47 A W E < -A 352 0A 21 -3,-1.4 2,-0.3 308,-0.2 308,-0.2 -0.992 63.8-177.0-132.7 139.6 97.1 85.3 34.9 45 48 A R E -A 351 0A 147 306,-2.3 306,-2.5 -2,-0.4 2,-0.3 -0.858 31.2-101.3-126.7 164.0 100.1 83.2 33.9 46 49 A F E -A 350 0A 57 -2,-0.3 304,-0.2 304,-0.2 303,-0.1 -0.653 17.3-165.5 -92.8 146.1 101.1 79.7 34.9 47 50 A K - 0 0 116 302,-2.5 290,-0.0 -2,-0.3 303,-0.0 -0.859 27.9-148.7-124.6 87.4 103.7 78.6 37.5 48 51 A P - 0 0 51 0, 0.0 2,-0.7 0, 0.0 290,-0.2 -0.171 8.3-131.1 -57.7 150.5 104.1 74.9 36.7 49 52 A K - 0 0 68 288,-2.2 3,-0.4 3,-0.0 2,-0.1 -0.943 31.9-150.6-105.1 113.3 105.0 72.4 39.4 50 53 A R + 0 0 171 -2,-0.7 3,-0.1 1,-0.2 286,-0.0 -0.370 66.2 30.6 -85.2 165.4 107.9 70.3 38.1 51 54 A L S S+ 0 0 185 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.841 80.3 139.8 56.0 39.0 109.0 66.7 38.7 52 55 A V - 0 0 58 -3,-0.4 2,-0.8 283,-0.1 -1,-0.2 -0.917 62.5-112.3-109.2 135.7 105.4 65.6 39.3 53 56 A D + 0 0 111 -2,-0.4 3,-0.2 1,-0.2 -3,-0.0 -0.591 46.8 161.8 -70.4 108.2 104.4 62.3 37.8 54 57 A V + 0 0 33 -2,-0.8 -1,-0.2 1,-0.1 3,-0.1 -0.008 38.2 111.1-117.1 27.5 101.9 63.2 35.1 55 58 A S S S+ 0 0 76 1,-0.2 2,-0.5 280,-0.0 -1,-0.1 0.724 81.9 45.1 -72.2 -21.9 102.1 59.9 33.2 56 59 A R S S+ 0 0 196 -3,-0.2 2,-0.3 2,-0.0 -1,-0.2 -0.945 78.6 177.3-126.4 107.5 98.5 59.3 34.3 57 60 A R - 0 0 96 -2,-0.5 2,-0.4 -3,-0.1 284,-0.2 -0.808 13.4-160.4-114.0 153.5 96.1 62.2 33.9 58 61 A S B +b 341 0B 43 282,-2.7 284,-2.9 -2,-0.3 285,-0.3 -0.988 19.0 174.8-136.9 126.9 92.4 62.6 34.5 59 62 A L + 0 0 14 -2,-0.4 -1,-0.1 10,-0.2 9,-0.1 0.428 48.3 121.9-104.1 -4.0 90.0 65.2 33.2 60 63 A Q + 0 0 79 10,-0.2 2,-0.3 11,-0.1 283,-0.3 -0.301 36.9 163.3 -59.8 140.2 87.0 63.5 34.7 61 64 A A E -C 68 0C 11 7,-2.0 7,-2.2 9,-0.1 2,-0.4 -0.993 38.6-111.9-159.5 154.5 85.1 65.8 37.1 62 65 A E E -C 67 0C 117 -2,-0.3 2,-0.5 5,-0.2 5,-0.3 -0.748 24.4-167.7 -91.8 136.8 81.8 66.1 38.9 63 66 A V E > S-C 66 0C 2 3,-2.6 3,-1.8 -2,-0.4 237,-0.0 -0.991 82.0 -11.0-124.9 117.5 79.5 69.0 37.8 64 67 A L T 3 S- 0 0 17 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.863 133.8 -54.9 59.2 35.3 76.6 69.6 40.2 65 68 A G T 3 S+ 0 0 52 1,-0.2 2,-0.5 -3,-0.0 -1,-0.3 0.425 117.8 112.4 80.6 -1.2 77.6 66.3 41.8 66 69 A K E < -C 63 0C 79 -3,-1.8 -3,-2.6 -5,-0.0 -1,-0.2 -0.919 66.5-124.8-111.9 124.8 77.4 64.4 38.5 67 70 A R E +C 62 0C 163 -2,-0.5 2,-0.3 -5,-0.3 -5,-0.2 -0.342 33.9 169.8 -67.6 138.4 80.5 62.9 36.9 68 71 A Q E -C 61 0C 15 -7,-2.2 -7,-2.0 -9,-0.1 32,-0.2 -0.931 46.8 -99.7-142.4 164.7 81.3 63.9 33.2 69 72 A S S S- 0 0 29 30,-1.9 -10,-0.2 -2,-0.3 31,-0.1 0.774 99.3 -7.5 -59.1 -32.7 84.3 63.4 31.0 70 73 A M S S- 0 0 2 29,-0.3 2,-2.3 2,-0.2 -10,-0.2 -0.969 79.8 -93.7-160.9 155.7 85.7 66.9 31.4 71 74 A P S S+ 0 0 4 0, 0.0 230,-2.4 0, 0.0 2,-0.3 -0.164 88.6 102.4 -70.6 46.2 84.7 70.2 33.0 72 75 A L E -d 301 0D 0 -2,-2.3 2,-0.3 228,-0.2 -2,-0.2 -0.880 44.6-176.1-127.2 159.6 83.1 71.6 29.8 73 76 A L E -d 302 0D 0 228,-1.4 230,-2.9 -2,-0.3 2,-0.8 -0.969 33.4-117.3-147.4 153.9 79.6 72.0 28.5 74 77 A I E -de 303 102D 2 27,-2.1 29,-2.1 -2,-0.3 230,-0.1 -0.900 45.7-140.8 -94.4 114.2 78.2 73.2 25.2 75 78 A G - 0 0 3 228,-2.5 2,-0.4 -2,-0.8 30,-0.1 -0.154 24.1 -78.0 -72.8 170.3 76.3 76.2 26.4 76 79 A P + 0 0 15 0, 0.0 2,-0.4 0, 0.0 28,-0.2 -0.535 52.2 167.1 -74.5 124.1 72.9 77.5 25.3 77 80 A T - 0 0 27 26,-0.4 3,-0.5 -2,-0.4 28,-0.4 -0.995 25.7-133.7-137.9 129.7 72.9 79.4 22.0 78 81 A G S S+ 0 0 21 -2,-0.4 30,-0.2 1,-0.2 100,-0.1 -0.387 78.9 22.1 -83.2 161.4 69.8 80.3 20.0 79 82 A L > + 0 0 19 28,-2.3 3,-2.1 98,-0.2 4,-0.3 0.815 64.6 158.7 56.8 37.5 69.1 79.9 16.3 80 83 A N G >> + 0 0 0 -3,-0.5 3,-1.8 1,-0.3 4,-1.4 0.798 66.1 70.2 -61.2 -26.4 71.8 77.2 15.9 81 84 A G G 34 S+ 0 0 5 1,-0.3 -1,-0.3 2,-0.2 5,-0.1 0.677 87.3 65.1 -64.4 -16.7 70.0 76.1 12.7 82 85 A A G <4 S+ 0 0 13 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.672 105.5 44.0 -78.4 -16.7 71.1 79.3 11.1 83 86 A L T <4 S- 0 0 9 -3,-1.8 -2,-0.2 1,-0.4 -1,-0.2 0.762 132.8 -7.4 -96.4 -32.4 74.7 78.1 11.4 84 87 A W S >< S- 0 0 92 -4,-1.4 3,-1.7 230,-0.1 -1,-0.4 -0.944 86.5 -84.0-163.7 142.5 74.2 74.5 10.2 85 88 A P T 3 S- 0 0 81 0, 0.0 5,-0.1 0, 0.0 -3,-0.1 -0.274 115.7 -1.1 -53.6 129.9 71.2 72.3 9.4 86 89 A K T >> S+ 0 0 154 1,-0.1 4,-2.0 -5,-0.1 3,-0.6 0.870 85.3 168.3 54.4 39.7 69.8 70.7 12.5 87 90 A G H <> + 0 0 0 -3,-1.7 4,-2.4 1,-0.2 5,-0.2 0.804 66.5 58.9 -52.1 -38.0 72.5 72.5 14.4 88 91 A D H 3> S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.914 108.8 44.4 -60.8 -43.9 71.0 71.8 17.8 89 92 A L H <> S+ 0 0 11 -3,-0.6 4,-2.8 2,-0.2 5,-0.2 0.878 111.2 53.9 -68.7 -38.4 71.1 68.1 17.2 90 93 A A H X S+ 0 0 7 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.936 112.1 44.1 -61.1 -47.1 74.6 68.2 15.8 91 94 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.924 114.1 50.4 -63.7 -45.0 75.9 70.1 18.9 92 95 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.916 111.7 46.9 -60.9 -45.5 74.0 67.7 21.3 93 96 A R H X S+ 0 0 103 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.871 112.9 49.5 -66.4 -35.5 75.3 64.6 19.6 94 97 A A H X S+ 0 0 0 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.928 112.0 47.9 -68.4 -44.1 78.9 65.9 19.7 95 98 A A H X>S+ 0 0 0 -4,-2.7 5,-2.5 1,-0.2 4,-0.8 0.940 112.8 49.5 -60.3 -46.0 78.6 66.9 23.4 96 99 A T H ><5S+ 0 0 40 -4,-2.6 3,-0.8 1,-0.2 -2,-0.2 0.898 109.1 50.6 -61.5 -42.3 77.2 63.4 24.1 97 100 A K H 3<5S+ 0 0 126 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.837 111.4 50.3 -64.6 -30.0 80.0 61.7 22.2 98 101 A A H 3<5S- 0 0 23 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.570 116.7-115.6 -83.4 -10.7 82.4 63.8 24.2 99 102 A G T <<5S+ 0 0 33 -3,-0.8 -30,-1.9 -4,-0.8 -29,-0.3 0.737 76.4 113.0 83.4 23.5 80.8 62.9 27.5 100 103 A I < - 0 0 4 -5,-2.5 -1,-0.3 -32,-0.2 22,-0.2 -0.883 68.2 -95.2-126.8 159.1 79.6 66.4 28.4 101 104 A P - 0 0 1 0, 0.0 -27,-2.1 0, 0.0 2,-0.4 -0.264 26.2-149.1 -70.6 157.0 76.2 68.1 28.8 102 105 A F E -ef 74 123D 1 20,-2.0 22,-2.9 -29,-0.2 2,-0.6 -0.989 8.2-146.3-125.4 135.3 74.5 70.1 26.1 103 106 A V E - f 0 124D 1 -29,-2.1 -26,-0.4 -2,-0.4 2,-0.4 -0.916 10.1-146.3-109.5 118.4 72.2 73.0 26.9 104 107 A L E - f 0 125D 0 20,-2.9 22,-3.2 -2,-0.6 2,-0.2 -0.655 17.0-130.6 -83.3 133.1 69.2 73.6 24.7 105 108 A S > - 0 0 2 -28,-0.4 3,-1.5 -2,-0.4 22,-0.1 -0.484 12.4-128.3 -81.6 151.3 68.2 77.3 24.2 106 109 A T T 3 S+ 0 0 2 1,-0.3 74,-0.3 20,-0.3 -1,-0.1 0.822 116.0 53.2 -64.8 -28.2 64.6 78.5 24.6 107 110 A A T 3 S+ 0 0 23 72,-0.1 -28,-2.3 73,-0.1 -1,-0.3 -0.062 85.4 138.0 -96.6 31.4 65.2 80.0 21.1 108 111 A S < - 0 0 0 -3,-1.5 72,-0.5 -30,-0.2 71,-0.4 -0.258 57.6-135.8 -73.4 163.5 66.4 76.7 19.6 109 112 A N S S+ 0 0 18 69,-0.2 2,-0.4 70,-0.1 68,-0.2 0.493 91.6 61.6 -97.6 -6.6 65.3 75.5 16.1 110 113 A M S S- 0 0 26 68,-0.0 70,-0.1 -24,-0.0 -2,-0.1 -0.976 93.6-111.3-120.4 134.4 64.6 72.0 17.4 111 114 A S > - 0 0 7 -2,-0.4 4,-2.3 68,-0.1 5,-0.3 -0.172 19.6-115.7 -66.0 156.0 62.0 71.4 20.0 112 115 A I H > S+ 0 0 1 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.915 117.9 45.4 -52.6 -47.1 62.6 70.3 23.6 113 116 A E H > S+ 0 0 62 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.911 110.2 51.2 -66.5 -47.6 60.7 67.1 22.9 114 117 A D H > S+ 0 0 52 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.878 110.7 48.7 -61.2 -39.6 62.3 66.3 19.5 115 118 A L H >X S+ 0 0 0 -4,-2.3 4,-1.2 1,-0.2 3,-0.5 0.938 109.2 52.1 -66.4 -45.6 65.9 66.7 20.9 116 119 A A H 3< S+ 0 0 26 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.818 110.8 49.3 -59.4 -31.9 65.2 64.5 23.9 117 120 A R H 3< S+ 0 0 165 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.752 116.9 40.3 -79.8 -24.4 63.8 61.8 21.5 118 121 A Q H << S+ 0 0 59 -4,-1.2 2,-0.3 -3,-0.5 -2,-0.2 0.421 115.9 48.0-105.4 0.4 66.9 62.0 19.2 119 122 A C < - 0 0 10 -4,-1.2 -1,-0.2 -3,-0.1 4,-0.1 -0.965 51.4-170.5-145.6 125.6 69.7 62.3 21.8 120 123 A D + 0 0 154 -2,-0.3 -4,-0.1 -3,-0.1 -1,-0.0 0.125 55.3 108.4-100.7 20.2 70.2 60.3 25.0 121 124 A G S S- 0 0 22 1,-0.1 2,-1.0 -21,-0.0 -2,-0.1 -0.035 89.3 -67.4 -82.4-169.1 73.0 62.4 26.4 122 125 A D - 0 0 33 -22,-0.2 -20,-2.0 -30,-0.1 2,-0.5 -0.739 60.3-167.0 -85.1 104.4 72.8 64.8 29.4 123 126 A L E -f 102 0D 8 -2,-1.0 25,-1.8 23,-0.3 26,-0.7 -0.814 9.0-170.9-100.8 130.5 70.4 67.5 28.2 124 127 A W E -fg 103 149D 2 -22,-2.9 -20,-2.9 -2,-0.5 2,-0.5 -0.824 14.4-139.0-112.3 153.6 70.0 70.8 30.0 125 128 A F E -fg 104 150D 0 24,-2.7 26,-3.0 -2,-0.3 2,-0.6 -0.968 5.7-153.0-120.3 128.1 67.3 73.3 29.2 126 129 A Q E - g 0 151D 2 -22,-3.2 2,-0.4 -2,-0.5 -20,-0.3 -0.867 17.6-150.2 -99.3 124.8 68.0 77.1 29.2 127 130 A L E - g 0 152D 0 24,-3.5 26,-2.1 -2,-0.6 2,-0.4 -0.807 17.4-175.1-104.2 133.5 64.9 79.2 29.9 128 131 A Y - 0 0 37 -2,-0.4 2,-0.7 24,-0.2 26,-0.1 -0.976 22.9-141.0-116.4 132.9 64.0 82.7 28.7 129 132 A V + 0 0 7 -2,-0.4 77,-3.1 24,-0.3 80,-0.2 -0.880 42.1 146.0-103.9 115.5 60.9 84.1 30.2 130 133 A I S S+ 0 0 29 -2,-0.7 2,-0.4 1,-0.5 -1,-0.2 0.715 82.2 13.0-107.0 -45.1 58.7 86.1 27.9 131 134 A H S > S- 0 0 33 1,-0.1 4,-2.8 75,-0.1 -1,-0.5 -0.999 72.0-137.2-135.5 128.4 55.3 85.0 29.3 132 135 A R H > S+ 0 0 89 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 0.905 104.2 47.6 -51.5 -51.6 55.0 83.2 32.7 133 136 A E H > S+ 0 0 106 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.918 113.9 47.3 -58.7 -45.5 52.4 80.7 31.6 134 137 A I H > S+ 0 0 12 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.899 111.5 51.4 -63.1 -41.0 54.4 79.9 28.4 135 138 A A H X S+ 0 0 3 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.924 107.8 52.1 -62.4 -43.9 57.6 79.6 30.5 136 139 A Q H X S+ 0 0 79 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.893 107.5 54.0 -59.5 -38.8 55.9 77.2 32.9 137 140 A G H X S+ 0 0 45 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.909 110.5 44.6 -62.0 -43.4 54.8 75.1 29.9 138 141 A M H X S+ 0 0 12 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.888 111.3 53.7 -68.7 -39.9 58.3 74.8 28.6 139 142 A V H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.940 112.1 43.6 -61.0 -47.9 59.7 74.0 32.0 140 143 A L H X S+ 0 0 42 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.872 112.1 54.4 -66.5 -33.9 57.3 71.2 32.6 141 144 A K H X S+ 0 0 98 -4,-1.8 4,-1.3 -5,-0.2 -2,-0.2 0.929 110.3 45.9 -64.1 -43.9 57.9 70.0 29.0 142 145 A A H <>S+ 0 0 0 -4,-2.7 5,-2.3 2,-0.2 4,-0.3 0.890 112.7 52.0 -64.9 -39.1 61.6 69.8 29.7 143 146 A L H ><5S+ 0 0 38 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.941 110.9 45.9 -62.1 -48.9 60.9 68.0 33.0 144 147 A H H 3<5S+ 0 0 142 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.697 110.4 54.3 -70.0 -20.2 58.7 65.4 31.4 145 148 A T T 3<5S- 0 0 45 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.345 121.6 -95.6 -98.0 6.9 61.1 64.7 28.6 146 149 A G T < 5 + 0 0 55 -3,-1.1 -23,-0.3 -4,-0.3 2,-0.3 0.552 62.9 157.2 98.5 5.9 64.2 64.0 30.7 147 150 A Y < - 0 0 2 -5,-2.3 -1,-0.3 -6,-0.2 -23,-0.2 -0.517 25.5-160.4 -67.9 130.2 66.1 67.2 30.9 148 151 A T + 0 0 43 -25,-1.8 76,-0.8 -2,-0.3 2,-0.4 0.798 65.5 33.7 -82.4 -31.9 68.3 67.0 34.1 149 152 A T E -gh 124 224D 2 -26,-0.7 -24,-2.7 74,-0.1 2,-0.5 -0.970 62.2-148.7-134.2 144.2 69.1 70.6 34.7 150 153 A L E -gh 125 225D 0 74,-2.6 76,-2.8 -2,-0.4 2,-0.5 -0.936 11.0-166.3-113.4 131.3 67.3 74.0 34.3 151 154 A V E -gh 126 226D 0 -26,-3.0 -24,-3.5 -2,-0.5 2,-0.6 -0.970 6.4-156.3-119.3 121.1 69.2 77.2 33.5 152 155 A L E -gh 127 227D 6 74,-2.8 76,-3.3 -2,-0.5 2,-0.6 -0.866 9.8-150.5 -97.3 119.2 67.5 80.6 33.8 153 156 A T E + h 0 228D 7 -26,-2.1 -24,-0.3 -2,-0.6 3,-0.2 -0.814 20.1 173.3 -92.4 123.2 69.2 83.2 31.7 154 157 A T + 0 0 60 74,-2.6 3,-0.3 -2,-0.6 75,-0.2 0.363 54.1 83.3-110.9 2.5 68.8 86.6 33.3 155 158 A D S S+ 0 0 32 73,-0.2 -1,-0.1 1,-0.2 3,-0.1 0.071 75.3 69.4-101.3 28.6 70.9 89.0 31.2 156 159 A V + 0 0 11 -3,-0.2 49,-0.5 1,-0.1 -1,-0.2 -0.270 45.5 137.3-134.4 48.2 68.5 89.8 28.4 157 160 A A S S+ 0 0 48 -3,-0.3 2,-0.3 1,-0.1 48,-0.2 0.834 89.1 10.7 -60.6 -32.9 65.9 91.9 30.1 158 161 A V S S- 0 0 99 -3,-0.1 2,-0.2 46,-0.1 -1,-0.1 -0.919 103.5 -87.1-138.4 160.1 66.2 94.1 27.0 159 162 A N - 0 0 82 -2,-0.3 97,-0.1 1,-0.1 -3,-0.1 -0.479 42.8-111.9 -76.1 140.9 68.0 93.3 23.7 160 163 A G - 0 0 17 -2,-0.2 2,-1.5 1,-0.1 96,-0.1 -0.368 26.7-116.6 -68.3 148.9 71.7 94.1 23.4 161 164 A Y + 0 0 129 95,-0.6 -132,-3.0 -2,-0.1 2,-0.9 -0.659 40.1 176.2 -89.8 84.3 72.6 96.9 20.9 162 165 A R >> - 0 0 46 -2,-1.5 4,-1.2 -134,-0.3 3,-0.5 -0.799 12.7-166.9 -95.2 103.9 74.6 94.9 18.4 163 166 A E H 3> S+ 0 0 62 -2,-0.9 4,-2.3 -136,-0.3 5,-0.2 0.704 80.0 65.1 -66.1 -23.5 75.5 97.3 15.7 164 167 A R H 3> S+ 0 0 69 -137,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.936 104.7 48.2 -64.5 -42.4 76.7 94.8 13.1 165 168 A D H <>>S+ 0 0 26 -3,-0.5 5,-2.2 1,-0.2 4,-0.7 0.873 109.9 51.9 -63.3 -38.2 73.1 93.5 12.9 166 169 A L H ><5S+ 0 0 81 -4,-1.2 3,-0.5 2,-0.2 -1,-0.2 0.906 110.4 48.2 -65.7 -40.5 71.7 97.0 12.6 167 170 A H H 3<5S+ 0 0 134 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.878 117.5 41.6 -66.3 -38.0 74.1 97.7 9.7 168 171 A N H 3<5S- 0 0 38 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.450 102.5-129.9 -88.7 -1.0 73.1 94.4 8.0 169 172 A R T <<5 - 0 0 179 -4,-0.7 -3,-0.2 -3,-0.5 -4,-0.1 0.873 37.4-154.2 52.6 35.0 69.4 94.8 8.8 170 173 A F < - 0 0 31 -5,-2.2 2,-0.4 -6,-0.2 -1,-0.2 -0.107 16.0-171.0 -45.8 129.1 69.8 91.2 10.1 171 174 A K - 0 0 159 -3,-0.2 -1,-0.1 0, 0.0 0, 0.0 -0.988 36.4 -96.7-128.2 135.1 66.6 89.2 10.0 172 175 A I - 0 0 70 -2,-0.4 4,-0.1 1,-0.1 -93,-0.0 -0.305 59.5 -97.0 -50.6 117.4 66.0 85.8 11.6 173 176 A P > - 0 0 18 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.030 27.6-128.2 -40.4 134.5 66.6 83.4 8.6 174 177 A P T 3 S+ 0 0 132 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.893 106.6 55.8 -56.0 -47.2 63.3 82.3 7.0 175 178 A F T 3 S+ 0 0 142 2,-0.1 2,-0.5 -94,-0.0 -3,-0.0 0.429 93.0 108.6 -70.4 8.3 63.9 78.6 7.1 176 179 A L < - 0 0 27 -3,-1.5 2,-0.3 -4,-0.1 -67,-0.0 -0.798 55.5-155.5-103.7 126.4 64.4 79.1 10.8 177 180 A T - 0 0 45 -2,-0.5 2,-0.8 -68,-0.2 3,-0.2 -0.706 23.1-156.9 -98.0 134.9 62.0 78.0 13.5 178 181 A L > + 0 0 77 -2,-0.3 3,-2.2 1,-0.2 -69,-0.2 -0.571 36.2 173.6-102.2 60.0 61.4 79.2 17.0 179 182 A K G > + 0 0 53 -2,-0.8 3,-2.4 -71,-0.4 -1,-0.2 0.738 61.5 65.7 -41.1 -44.3 60.0 75.7 17.5 180 183 A N G 3 S+ 0 0 17 -72,-0.5 -1,-0.3 -74,-0.3 -73,-0.1 0.673 102.2 50.8 -61.8 -14.9 59.5 75.8 21.3 181 184 A F G X S+ 0 0 45 -3,-2.2 3,-0.7 -75,-0.1 -1,-0.3 0.289 87.2 128.4-102.5 7.9 56.8 78.5 20.7 182 185 A E T < S+ 0 0 129 -3,-2.4 3,-0.0 1,-0.2 -3,-0.0 -0.353 70.5 5.4 -69.5 141.2 55.1 76.3 18.1 183 186 A G T 3 S+ 0 0 72 1,-0.2 2,-4.3 -2,-0.1 -1,-0.2 0.244 74.9 152.1 74.3 -12.0 51.4 75.5 18.3 184 187 A I < - 0 0 35 -3,-0.7 -1,-0.2 1,-0.1 -2,-0.0 -0.092 52.4-115.5 -52.2 53.5 50.7 77.8 21.3 185 188 A D + 0 0 103 -2,-4.3 2,-0.2 1,-0.1 -1,-0.1 0.507 38.3 176.9 42.3 174.4 47.0 78.5 20.4 186 189 A L + 0 0 106 7,-0.1 3,-0.1 3,-0.0 -1,-0.1 -0.619 58.1 83.5 157.2 152.5 45.1 82.0 19.3 187 190 A G S S+ 0 0 46 1,-0.5 2,-0.2 -2,-0.2 -2,-0.0 -0.339 76.3 115.2 123.0 -34.2 41.6 82.3 18.4 188 191 A K - 0 0 124 1,-0.1 2,-0.6 2,-0.0 -1,-0.5 -0.396 56.9-150.8 -71.9 132.8 41.2 82.4 22.1 189 192 A M + 0 0 150 -2,-0.2 2,-0.2 -3,-0.1 5,-0.2 -0.893 41.8 65.8-123.0 119.7 40.0 85.5 23.5 190 193 A D S S- 0 0 94 3,-0.9 5,-0.4 -2,-0.6 -2,-0.0 -0.739 88.9 -51.8 154.1 161.9 40.6 87.1 26.7 191 194 A K S > S+ 0 0 61 -2,-0.2 4,-1.8 3,-0.2 5,-0.4 0.789 126.5 31.7 -23.0 -85.7 43.2 88.6 28.9 192 195 A A T 4 S+ 0 0 32 2,-0.3 0, 0.0 3,-0.2 0, 0.0 -0.558 112.0 50.0 -86.9 154.3 45.6 85.9 28.6 193 196 A N T 4 S+ 0 0 36 -2,-0.2 -3,-0.9 -4,-0.1 -1,-0.2 0.884 127.8 39.1 83.4 57.8 45.5 84.1 25.4 194 197 A L T > S+ 0 0 86 -5,-0.2 4,-0.7 -8,-0.0 -2,-0.3 -0.154 115.1 48.0 156.7 -33.6 45.7 87.9 24.3 195 198 A E T < S+ 0 0 134 -4,-1.8 4,-0.3 -5,-0.4 -3,-0.2 0.582 118.1 45.5 -96.0 -22.5 48.1 89.2 26.9 196 199 A M T > S+ 0 0 3 -5,-0.4 4,-1.5 2,-0.2 5,-0.1 0.786 110.8 50.7 -89.0 -36.3 50.2 86.1 26.0 197 200 A Q H > S+ 0 0 23 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.886 109.5 53.0 -67.1 -42.0 49.8 86.7 22.3 198 201 A A H < S+ 0 0 59 -4,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.756 109.3 48.7 -66.3 -26.8 50.9 90.3 22.8 199 202 A A H >4 S+ 0 0 22 -4,-0.3 3,-0.7 1,-0.1 -1,-0.2 0.806 111.9 47.6 -83.3 -32.3 54.0 89.1 24.6 200 203 A L H 3< S+ 0 0 55 -4,-1.5 -2,-0.2 1,-0.2 -3,-0.1 0.791 103.2 61.1 -78.4 -29.9 55.0 86.5 22.0 201 204 A M T 3< S+ 0 0 141 -4,-2.0 2,-0.4 -5,-0.1 -1,-0.2 0.100 97.4 83.8 -83.3 24.1 54.5 89.0 19.1 202 205 A S S < S- 0 0 47 -3,-0.7 -3,-0.0 2,-0.1 -4,-0.0 -0.977 72.9-145.7-128.6 140.8 57.3 90.9 20.9 203 206 A R S S+ 0 0 182 -2,-0.4 2,-0.3 2,-0.0 -3,-0.1 0.276 76.4 89.2 -88.1 11.6 61.0 90.4 20.6 204 207 A Q - 0 0 114 -5,-0.2 -2,-0.1 -46,-0.1 -46,-0.1 -0.803 68.6-133.2-111.5 152.9 61.5 91.4 24.2 205 208 A M - 0 0 37 -49,-0.5 2,-1.3 -2,-0.3 -75,-0.3 -0.281 43.9 -71.7 -93.0-179.9 61.5 89.3 27.4 206 209 A D > - 0 0 35 -77,-3.1 3,-1.4 1,-0.2 -77,-0.1 -0.625 45.3-175.2 -76.6 96.7 59.8 89.7 30.7 207 210 A A T 3 S+ 0 0 70 -2,-1.3 -1,-0.2 1,-0.2 -50,-0.1 0.516 77.2 66.3 -71.7 -5.0 61.9 92.6 32.1 208 211 A S T 3 + 0 0 74 -51,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.571 65.9 124.2 -92.7 -9.9 60.0 92.3 35.4 209 212 A F < + 0 0 41 -3,-1.4 2,-0.2 -80,-0.2 -80,-0.0 -0.337 40.0 156.1 -56.8 112.3 61.3 88.8 36.3 210 213 A N > - 0 0 83 -2,-0.3 4,-2.0 0, 0.0 5,-0.2 -0.481 58.5 -66.9-125.3-165.5 62.9 89.3 39.7 211 214 A W H > S+ 0 0 71 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.861 129.9 53.9 -56.7 -38.6 63.9 87.5 42.9 212 215 A E H > S+ 0 0 134 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.910 109.0 49.1 -63.0 -41.8 60.2 86.8 43.7 213 216 A A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.833 105.4 57.5 -66.7 -33.7 59.8 85.2 40.3 214 217 A L H X S+ 0 0 6 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.888 103.5 53.6 -64.0 -37.6 62.9 83.1 40.8 215 218 A R H X S+ 0 0 108 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.897 107.2 52.2 -62.3 -39.9 61.3 81.7 43.9 216 219 A W H X S+ 0 0 74 -4,-1.4 4,-1.2 1,-0.2 3,-0.3 0.938 111.5 45.3 -60.5 -48.4 58.3 80.8 41.7 217 220 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.874 107.3 59.5 -63.9 -38.3 60.6 79.0 39.2 218 221 A R H < S+ 0 0 43 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.846 107.0 46.3 -59.7 -36.1 62.4 77.3 42.1 219 222 A D H < S+ 0 0 142 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.767 111.1 53.0 -78.5 -25.2 59.2 75.6 43.3 220 223 A L H < S+ 0 0 35 -4,-1.2 -2,-0.2 -3,-0.2 -1,-0.2 0.853 103.1 60.9 -77.1 -37.8 58.2 74.6 39.7 221 224 A W < - 0 0 2 -4,-2.2 -1,-0.1 1,-0.1 4,-0.1 -0.835 60.5-171.6 -98.5 120.9 61.5 72.8 38.9 222 225 A P + 0 0 82 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.604 64.9 57.9 -85.0 -14.0 62.4 69.8 41.1 223 226 A H S S- 0 0 93 1,-0.2 -74,-0.1 0, 0.0 2,-0.1 -0.109 105.8 -34.3-101.8-159.2 65.9 69.2 39.9 224 227 A K E -h 149 0D 81 -76,-0.8 -74,-2.6 -160,-0.1 2,-0.4 -0.379 58.0-166.6 -63.2 132.5 69.1 71.2 39.6 225 228 A L E -h 150 0D 0 18,-0.2 20,-2.8 -76,-0.2 21,-0.8 -0.986 6.2-175.6-126.3 127.7 68.6 74.9 38.9 226 229 A L E -hi 151 246D 0 -76,-2.8 -74,-2.8 -2,-0.4 2,-0.5 -0.924 18.4-141.3-122.2 148.0 71.2 77.4 37.8 227 230 A V E -hi 152 247D 4 19,-1.2 21,-2.7 -2,-0.3 3,-0.3 -0.950 22.6-160.1-110.5 122.9 71.0 81.1 37.3 228 231 A K E +hi 153 248D 7 -76,-3.3 -74,-2.6 -2,-0.5 -73,-0.2 -0.784 61.0 44.1-106.1 145.1 73.0 82.4 34.3 229 232 A G E + 0 0 11 19,-1.9 2,-0.2 -2,-0.3 20,-0.2 0.567 69.4 149.3 103.6 12.3 74.2 85.9 33.5 230 233 A L E + i 0 249D 7 18,-1.3 20,-1.8 -3,-0.3 -1,-0.3 -0.527 24.0 179.4 -82.2 145.9 75.5 86.9 36.9 231 234 A L + 0 0 47 -2,-0.2 2,-0.3 18,-0.2 30,-0.1 -0.034 59.9 57.9-135.0 30.5 78.4 89.3 37.2 232 235 A S > - 0 0 26 1,-0.1 4,-2.2 34,-0.1 5,-0.1 -0.972 69.6-131.9-159.5 146.2 78.8 89.7 41.0 233 236 A A H > S+ 0 0 0 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.834 110.0 59.1 -65.3 -32.6 79.5 87.5 44.0 234 237 A E H > S+ 0 0 105 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.932 108.1 42.5 -63.0 -48.4 76.6 89.3 45.7 235 238 A D H > S+ 0 0 69 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.896 113.5 53.1 -65.5 -40.1 74.1 88.3 43.1 236 239 A A H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.933 110.5 47.8 -60.0 -43.9 75.5 84.8 43.0 237 240 A D H X S+ 0 0 64 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.889 109.5 52.0 -64.4 -40.4 75.1 84.5 46.7 238 241 A R H X S+ 0 0 89 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.887 106.0 55.7 -64.2 -37.9 71.5 85.8 46.6 239 242 A C H <>S+ 0 0 0 -4,-2.3 5,-2.6 2,-0.2 -1,-0.2 0.909 108.8 46.8 -61.1 -41.0 70.7 83.1 44.0 240 243 A I H ><5S+ 0 0 36 -4,-1.7 3,-1.5 1,-0.2 -2,-0.2 0.916 110.9 52.0 -66.5 -42.1 71.9 80.4 46.3 241 244 A A H 3<5S+ 0 0 77 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.819 107.6 53.9 -63.0 -30.2 70.0 81.9 49.2 242 245 A E T 3<5S- 0 0 34 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.425 132.5 -86.8 -85.3 0.1 66.9 81.9 46.9 243 246 A G T < 5S+ 0 0 27 -3,-1.5 -3,-0.2 1,-0.3 -18,-0.2 0.301 76.5 144.1 117.1 -11.8 67.2 78.2 46.2 244 247 A A < - 0 0 6 -5,-2.6 -1,-0.3 -6,-0.2 -18,-0.2 -0.271 43.6-145.9 -62.6 148.3 69.6 77.9 43.2 245 248 A D S S- 0 0 31 -20,-2.8 2,-0.3 1,-0.2 -19,-0.2 0.491 74.9 -29.7 -92.0 -5.9 72.0 75.0 43.1 246 249 A G E -i 226 0D 0 -21,-0.8 -19,-1.2 30,-0.1 2,-0.3 -0.956 63.5-118.2 172.0 178.5 74.7 77.0 41.4 247 250 A V E -ij 227 278D 0 30,-2.0 32,-3.2 -2,-0.3 2,-0.5 -0.910 7.5-136.2-138.9 164.8 75.3 79.8 39.1 248 251 A I E -ij 228 279D 0 -21,-2.7 -19,-1.9 -2,-0.3 -18,-1.3 -0.955 20.6-148.6-124.3 106.5 76.8 80.6 35.7 249 252 A L E +ij 230 280D 0 30,-2.8 32,-1.7 -2,-0.5 2,-0.3 -0.628 40.5 142.8 -72.5 132.3 78.9 83.8 35.8 250 253 A S - 0 0 0 -20,-1.8 32,-0.1 -2,-0.4 -2,-0.1 -0.973 54.2-155.3-170.4 148.3 78.6 85.3 32.3 251 254 A N > > - 0 0 8 -2,-0.3 3,-0.8 30,-0.2 5,-0.7 0.007 63.7-103.6-115.8 25.2 78.3 88.5 30.3 252 255 A H G > 5S- 0 0 30 1,-0.2 3,-1.5 2,-0.2 30,-0.1 0.871 71.8 -61.2 59.8 38.9 76.6 86.6 27.4 253 256 A G G 3 5S- 0 0 10 1,-0.3 -1,-0.2 2,-0.1 -219,-0.1 0.814 93.2 -63.7 59.6 33.1 79.8 86.6 25.4 254 257 A G G < 5S+ 0 0 1 -3,-0.8 -226,-2.8 -221,-0.1 -220,-0.3 0.654 110.8 118.5 67.1 17.9 79.9 90.4 25.2 255 258 A R T < 5S+ 0 0 32 -3,-1.5 -3,-0.1 -4,-0.4 -226,-0.1 0.530 73.1 36.3 -93.3 -7.3 76.6 90.5 23.3 256 259 A Q S - 0 0 113 -6,-0.4 3,-1.9 1,-0.1 -1,-0.2 -0.929 59.5-157.8-133.0 108.0 76.5 95.2 27.6 258 261 A D T 3 S+ 0 0 5 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.837 92.5 47.0 -54.8 -37.7 79.7 96.3 26.0 259 262 A C T 3 S+ 0 0 114 -227,-0.1 -1,-0.3 -226,-0.0 2,-0.0 0.252 81.8 126.7 -92.6 14.4 81.2 97.7 29.3 260 263 A A < - 0 0 13 -3,-1.9 -9,-0.1 -9,-0.1 2,-0.0 -0.352 66.0-109.2 -67.5 149.5 80.3 94.8 31.5 261 264 A I - 0 0 55 -30,-0.1 -1,-0.1 1,-0.1 -224,-0.1 -0.302 36.6-102.1 -69.6 164.7 83.1 93.3 33.5 262 265 A S > - 0 0 0 1,-0.1 3,-2.0 -226,-0.1 4,-0.3 -0.704 26.9-123.2 -84.3 144.7 84.3 89.8 32.4 263 266 A P G >> S+ 0 0 0 0, 0.0 3,-1.6 0, 0.0 4,-0.5 0.761 108.9 73.3 -60.8 -21.0 83.0 87.1 34.7 264 267 A M G 34 S+ 0 0 4 1,-0.3 3,-0.5 18,-0.2 4,-0.5 0.784 85.4 66.9 -62.5 -24.4 86.6 86.2 35.4 265 268 A E G <4 S+ 0 0 87 -3,-2.0 -1,-0.3 1,-0.2 4,-0.1 0.674 112.8 28.2 -70.7 -18.7 86.8 89.3 37.5 266 269 A V T <> S+ 0 0 17 -3,-1.6 4,-2.3 -4,-0.3 -1,-0.2 0.245 92.3 101.5-125.0 11.5 84.4 88.0 40.1 267 270 A L H X S+ 0 0 0 -4,-0.5 4,-2.5 -3,-0.5 5,-0.2 0.966 84.7 42.3 -61.7 -58.0 85.0 84.2 39.8 268 271 A A H > S+ 0 0 54 -4,-0.5 4,-2.4 1,-0.2 5,-0.2 0.912 116.5 50.2 -57.5 -42.7 87.3 83.7 42.8 269 272 A Q H > S+ 0 0 87 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.896 110.7 48.9 -64.0 -40.1 85.1 86.0 44.9 270 273 A S H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.4 0.890 110.5 50.8 -67.3 -39.3 81.9 84.1 43.9 271 274 A V H X S+ 0 0 44 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.937 114.4 44.0 -62.5 -46.7 83.5 80.7 44.6 272 275 A A H < S+ 0 0 86 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.884 118.4 43.1 -67.1 -40.2 84.5 81.9 48.1 273 276 A K H < S+ 0 0 94 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.951 119.3 37.6 -74.2 -49.1 81.3 83.6 49.0 274 277 A T H < S- 0 0 14 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.858 77.0-154.6 -74.5 -37.1 78.7 81.1 47.7 275 278 A G < + 0 0 65 -4,-1.6 -4,-0.1 -5,-0.4 -3,-0.1 0.656 65.0 99.4 69.0 12.9 80.3 77.8 48.6 276 279 A K S S- 0 0 86 -6,-0.3 -1,-0.3 -5,-0.1 -30,-0.1 -0.797 89.6 -60.2-125.2 167.2 78.3 76.3 45.8 277 280 A P - 0 0 24 0, 0.0 -30,-2.0 0, 0.0 2,-0.6 -0.215 47.1-167.8 -52.4 127.6 79.0 75.4 42.1 278 281 A V E -j 247 0D 2 19,-0.4 21,-2.6 -32,-0.2 22,-0.5 -0.950 7.1-176.8-121.1 106.2 80.1 78.4 40.1 279 282 A L E -j 248 0D 0 -32,-3.2 -30,-2.8 -2,-0.6 2,-0.3 -0.573 8.3-164.5 -95.1 167.3 80.2 77.7 36.4 280 283 A I E +jk 249 301D 0 20,-1.8 22,-2.5 -32,-0.3 2,-0.3 -0.995 17.1 168.7-154.9 153.6 81.4 80.3 33.9 281 284 A D + 0 0 16 -32,-1.7 -30,-0.2 -2,-0.3 22,-0.1 -0.864 29.5 99.9-149.3-178.3 81.5 81.3 30.2 282 285 A S S S+ 0 0 9 20,-0.4 -18,-0.2 -2,-0.3 -1,-0.1 0.804 89.0 13.8 95.2 98.9 82.4 84.3 28.0 283 286 A G S S+ 0 0 4 1,-0.3 2,-0.4 -21,-0.1 -242,-0.1 0.339 76.4 146.7 98.5 -4.0 85.6 84.6 26.1 284 287 A F + 0 0 4 18,-0.2 22,-0.4 1,-0.2 20,-0.3 -0.511 6.9 134.4 -74.2 123.8 86.9 81.0 26.4 285 288 A R + 0 0 40 -2,-0.4 -280,-0.4 1,-0.3 2,-0.3 0.564 57.6 51.9-135.4 -32.8 88.9 79.9 23.3 286 289 A R S >> S- 0 0 115 1,-0.1 4,-1.6 -282,-0.1 3,-0.7 -0.805 78.9-119.6-111.8 155.2 92.1 78.1 24.5 287 290 A G H 3> S+ 0 0 0 -2,-0.3 4,-2.9 1,-0.3 5,-0.2 0.849 115.4 60.5 -59.8 -33.0 92.6 75.3 27.0 288 291 A S H 3> S+ 0 0 31 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.860 100.5 53.6 -63.9 -34.1 94.7 77.7 29.0 289 292 A D H <> S+ 0 0 2 -3,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.947 112.0 45.8 -62.4 -47.2 91.7 80.0 29.4 290 293 A I H X S+ 0 0 1 -4,-1.6 4,-2.5 1,-0.2 -2,-0.2 0.924 111.7 49.9 -61.0 -48.2 89.7 77.0 30.7 291 294 A V H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.871 107.6 55.2 -62.3 -36.9 92.4 75.8 33.1 292 295 A K H X S+ 0 0 10 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.934 109.9 45.9 -62.0 -44.3 92.8 79.3 34.5 293 296 A A H <>S+ 0 0 0 -4,-1.9 5,-2.4 1,-0.2 4,-0.2 0.921 113.4 48.8 -64.5 -43.7 89.1 79.5 35.4 294 297 A L H ><5S+ 0 0 14 -4,-2.5 3,-1.5 1,-0.2 -1,-0.2 0.901 109.2 53.3 -62.7 -39.6 89.1 76.0 36.9 295 298 A A H 3<5S+ 0 0 2 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.838 105.3 54.7 -63.8 -33.2 92.2 76.9 38.9 296 299 A L T 3<5S- 0 0 21 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.471 133.7 -89.9 -79.5 -1.8 90.3 79.9 40.3 297 300 A G T < 5S+ 0 0 34 -3,-1.5 -19,-0.4 1,-0.3 -3,-0.2 0.387 71.0 153.4 114.2 -4.8 87.5 77.6 41.4 298 301 A A < - 0 0 8 -5,-2.4 -1,-0.3 1,-0.1 -19,-0.2 -0.304 38.4-146.4 -60.7 140.4 85.1 77.3 38.5 299 302 A E S S- 0 0 55 -21,-2.6 2,-0.3 1,-0.3 -20,-0.2 0.866 75.4 -22.6 -73.0 -39.5 83.1 74.1 38.5 300 303 A A - 0 0 0 -22,-0.5 -20,-1.8 -7,-0.1 2,-0.4 -0.976 60.0-120.8-165.4 163.5 83.0 74.0 34.7 301 304 A V E -dk 72 280D 0 -230,-2.4 -228,-1.4 -2,-0.3 2,-0.4 -0.950 19.9-145.0-117.0 132.3 83.2 76.2 31.7 302 305 A L E -d 73 0D 2 -22,-2.5 -20,-0.4 -2,-0.4 2,-0.4 -0.828 14.2-139.5 -97.6 135.3 80.5 76.6 29.1 303 306 A L E +d 74 0D 5 -230,-2.9 -228,-2.5 -2,-0.4 -18,-0.1 -0.770 29.0 162.4 -94.7 137.2 81.4 77.0 25.5 304 307 A G S > S+ 0 0 28 -2,-0.4 4,-1.2 -20,-0.3 3,-0.4 0.510 74.8 9.5-113.5 -94.8 79.5 79.4 23.3 305 308 A R H > S+ 0 0 20 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.814 116.0 72.5 -61.5 -32.8 81.2 80.5 20.1 306 309 A A H > S+ 0 0 0 -22,-0.4 4,-1.0 1,-0.2 3,-0.3 0.922 107.3 33.5 -50.7 -52.4 84.1 78.0 20.2 307 310 A T H > S+ 0 0 1 -3,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.768 112.1 63.2 -77.1 -23.2 81.9 75.0 19.4 308 311 A L H X S+ 0 0 9 -4,-1.2 4,-3.1 2,-0.2 5,-0.2 0.812 99.1 55.6 -68.8 -28.3 79.7 77.1 17.1 309 312 A Y H X S+ 0 0 2 -4,-2.1 4,-2.2 -3,-0.3 5,-0.2 0.914 108.2 47.9 -67.9 -40.5 82.7 77.8 14.9 310 313 A G H X S+ 0 0 0 -4,-1.0 4,-2.8 -5,-0.2 9,-0.3 0.921 114.6 46.9 -63.0 -42.7 83.1 74.0 14.6 311 314 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 7,-0.3 -2,-0.2 0.933 113.8 45.7 -63.8 -50.1 79.4 73.7 13.8 312 315 A A H < S+ 0 0 3 -4,-3.1 -1,-0.2 2,-0.2 -2,-0.2 0.850 120.0 41.5 -64.1 -34.6 79.3 76.5 11.2 313 316 A A H < S- 0 0 0 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.919 139.5 -2.0 -80.2 -46.1 82.4 75.2 9.6 314 317 A R H >X S- 0 0 83 -4,-2.8 4,-1.5 1,-0.3 3,-0.6 0.076 86.9-131.7-140.0 28.0 81.9 71.5 9.5 315 318 A G H 3X S- 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -1,-0.3 -0.152 75.1 -13.6 58.2-148.8 78.7 70.5 11.2 316 319 A E H 3> S+ 0 0 55 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.887 140.2 52.3 -54.1 -44.2 78.6 67.8 13.9 317 320 A T H <> S+ 0 0 72 -3,-0.6 4,-2.6 1,-0.2 -1,-0.2 0.883 106.7 54.5 -61.7 -37.3 82.0 66.6 12.9 318 321 A G H X S+ 0 0 0 -4,-1.5 4,-2.2 -3,-0.3 -7,-0.3 0.900 108.6 47.6 -62.8 -41.2 83.3 70.1 13.3 319 322 A V H X S+ 0 0 0 -4,-2.0 4,-2.7 -9,-0.3 5,-0.2 0.924 110.7 52.0 -65.4 -43.2 82.0 70.2 16.8 320 323 A D H X S+ 0 0 32 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.918 110.5 49.4 -57.0 -44.8 83.5 66.8 17.5 321 324 A E H X S+ 0 0 50 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.894 110.2 49.0 -63.8 -41.8 86.9 68.1 16.3 322 325 A V H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.930 113.0 47.3 -65.4 -43.7 86.7 71.3 18.4 323 326 A L H X S+ 0 0 3 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.895 112.1 51.1 -63.9 -38.1 85.9 69.3 21.5 324 327 A T H X S+ 0 0 96 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.930 112.3 46.1 -64.0 -45.5 88.7 66.8 20.7 325 328 A L H X S+ 0 0 52 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.926 113.6 48.3 -63.6 -45.1 91.2 69.7 20.3 326 329 A L H X S+ 0 0 3 -4,-2.8 4,-2.8 2,-0.2 -1,-0.2 0.886 111.1 50.6 -64.8 -37.3 90.1 71.4 23.5 327 330 A K H X S+ 0 0 82 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.929 112.6 45.4 -66.2 -43.7 90.2 68.2 25.5 328 331 A A H X S+ 0 0 37 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.831 112.7 53.8 -65.9 -31.9 93.8 67.5 24.2 329 332 A D H X S+ 0 0 26 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.943 111.0 43.5 -66.0 -51.6 94.6 71.1 24.9 330 333 A I H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.931 115.1 50.2 -60.2 -46.8 93.4 70.9 28.6 331 334 A D H X S+ 0 0 44 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.923 111.4 48.0 -57.7 -47.5 95.1 67.5 29.0 332 335 A R H X S+ 0 0 129 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.907 111.4 50.9 -60.6 -43.3 98.4 68.9 27.6 333 336 A T H X S+ 0 0 9 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.903 107.5 52.4 -63.0 -42.9 98.1 72.0 29.9 334 337 A L H X>S+ 0 0 0 -4,-2.5 5,-2.6 1,-0.2 4,-0.6 0.911 111.0 47.8 -59.9 -42.8 97.5 69.8 33.0 335 338 A A H ><5S+ 0 0 24 -4,-2.0 3,-0.8 1,-0.2 -2,-0.2 0.936 111.9 50.4 -63.3 -45.7 100.7 67.8 32.1 336 339 A Q H 3<5S+ 0 0 102 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.791 113.5 43.2 -65.4 -31.0 102.7 71.0 31.6 337 340 A I H 3<5S- 0 0 3 -4,-2.1 -288,-2.2 -289,-0.2 -1,-0.2 0.453 114.1-113.6 -95.5 0.5 101.7 72.7 34.8 338 341 A G T <<5S+ 0 0 4 -3,-0.8 -3,-0.2 -4,-0.6 -4,-0.1 0.836 77.9 122.9 75.3 34.1 102.1 69.5 36.9 339 342 A C < + 0 0 0 -5,-2.6 -1,-0.1 -6,-0.2 6,-0.1 -0.730 30.7 175.5-127.1 80.7 98.5 68.9 37.9 340 343 A P + 0 0 33 0, 0.0 -282,-2.7 0, 0.0 2,-0.6 0.782 69.0 57.9 -56.8 -32.9 97.6 65.4 36.6 341 344 A D B > S-b 58 0B 58 -284,-0.2 3,-2.6 1,-0.1 4,-0.2 -0.909 74.9-149.9-105.1 117.4 94.1 65.4 38.1 342 345 A I G > S+ 0 0 8 -284,-2.9 3,-1.4 -2,-0.6 -1,-0.1 0.792 96.3 63.3 -55.2 -29.2 92.0 68.2 36.9 343 346 A T G 3 S+ 0 0 94 -283,-0.3 -1,-0.3 -285,-0.3 -284,-0.1 0.600 93.4 65.0 -73.4 -7.8 90.1 68.2 40.2 344 347 A S G < S+ 0 0 69 -3,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.474 73.1 126.0 -91.2 -4.1 93.4 69.2 41.9 345 348 A L < + 0 0 22 -3,-1.4 -53,-0.0 -4,-0.2 -3,-0.0 -0.229 31.5 161.7 -56.9 142.9 93.6 72.6 40.2 346 349 A S > - 0 0 39 -50,-0.0 3,-1.7 -49,-0.0 -50,-0.2 -0.948 55.7 -92.7-154.3 169.6 94.1 75.5 42.6 347 350 A P G > S+ 0 0 82 0, 0.0 3,-2.0 0, 0.0 -51,-0.1 0.678 109.8 82.8 -62.2 -16.8 95.2 79.2 42.5 348 351 A D G 3 S+ 0 0 105 1,-0.3 -3,-0.0 -53,-0.1 -53,-0.0 0.686 83.7 58.8 -62.1 -19.9 98.7 78.0 43.4 349 352 A Y G < S+ 0 0 23 -3,-1.7 -302,-2.5 -54,-0.1 2,-0.3 0.446 99.5 78.3 -89.2 -0.3 99.3 77.2 39.8 350 353 A L E < -A 46 0A 17 -3,-2.0 2,-0.4 -304,-0.2 -304,-0.2 -0.782 59.0-158.1-114.8 155.9 98.7 80.8 38.8 351 354 A Q E -A 45 0A 79 -306,-2.5 -306,-2.3 -2,-0.3 2,-0.3 -0.999 24.9-128.9-128.1 123.9 100.6 84.1 38.9 352 355 A N E A 44 0A 113 -2,-0.4 -308,-0.2 -308,-0.2 -309,-0.1 -0.571 360.0 360.0 -73.1 134.2 98.7 87.3 38.9 353 356 A E 0 0 139 -310,-3.2 -309,-0.2 -2,-0.3 -1,-0.1 0.132 360.0 360.0-111.7 360.0 100.1 89.7 36.2