==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 27-MAY-03 1PG2 . COMPND 2 MOLECULE: METHIONYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR T.CREPIN,E.SCHMITT,Y.MECHULAM,P.B.SAMPSON,M.D.VAUGHAN, . 489 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20444.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 371 75.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 0.2 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 . 28 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 215 44.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 3.9 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 2 1 1 2 3 0 3 0 1 1 1 1 0 1 2 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 5 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 A 0 0 127 0, 0.0 39,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 96.8 -15.7 5.0 31.9 2 5 A K - 0 0 90 224,-0.0 39,-2.8 1,-0.0 2,-0.6 -0.397 360.0-129.2 -83.7 161.7 -13.5 6.9 29.6 3 6 A K E -a 41 0A 75 222,-0.3 224,-3.3 37,-0.2 2,-0.4 -0.968 34.4-177.9-113.4 115.8 -11.3 5.4 26.8 4 7 A I E -ab 42 227A 1 37,-3.3 39,-2.7 -2,-0.6 2,-0.5 -0.957 21.5-168.0-124.5 134.9 -7.8 6.8 27.2 5 8 A L E -ab 43 228A 1 222,-2.7 224,-2.8 -2,-0.4 2,-0.4 -0.980 17.6-176.7-118.7 117.7 -4.6 6.4 25.1 6 9 A V E -ab 44 229A 0 37,-3.1 39,-3.3 -2,-0.5 2,-0.3 -0.934 1.0-176.9-118.2 140.2 -1.5 7.7 26.8 7 10 A T E -ab 45 230A 0 222,-1.9 224,-2.6 -2,-0.4 2,-0.3 -0.901 18.0-149.2-132.6 161.4 2.1 7.8 25.4 8 11 A C E - b 0 231A 0 37,-1.1 39,-0.2 -2,-0.3 224,-0.2 -0.871 48.9 -82.4-119.9 155.5 5.6 8.9 26.5 9 12 A A - 0 0 8 222,-0.9 38,-0.2 -2,-0.3 -1,-0.1 -0.255 50.7-106.5 -57.8 149.1 8.0 10.2 23.9 10 13 A L - 0 0 0 36,-0.1 38,-0.2 38,-0.1 -1,-0.1 -0.703 34.5-130.4 -83.2 113.7 9.8 7.3 22.0 11 14 A P - 0 0 10 0, 0.0 38,-3.1 0, 0.0 2,-0.1 -0.376 24.7-109.8 -63.8 138.9 13.4 7.1 23.3 12 15 A Y B > -e 49 0B 40 479,-0.7 3,-0.7 36,-0.2 2,-0.6 -0.472 19.5-128.7 -69.2 140.8 16.1 7.0 20.6 13 16 A A T 3 S+ 0 0 0 36,-2.1 60,-0.2 1,-0.2 -1,-0.1 -0.069 91.4 86.7 -81.2 36.3 17.8 3.6 20.2 14 17 A N T 3 S+ 0 0 42 -2,-0.6 2,-0.3 1,-0.1 -1,-0.2 0.179 91.0 18.7-121.0 16.0 21.2 5.3 20.4 15 18 A G S < S- 0 0 30 -3,-0.7 -1,-0.1 3,-0.0 2,-0.1 -0.978 81.6 -83.3-173.9 165.0 21.8 5.5 24.2 16 19 A S - 0 0 29 -2,-0.3 2,-0.3 1,-0.1 -4,-0.1 -0.388 49.3 -99.2 -78.5 157.1 20.9 4.2 27.6 17 20 A I - 0 0 1 -2,-0.1 265,-2.7 4,-0.1 266,-0.5 -0.578 46.2-172.5 -74.8 133.1 17.9 5.5 29.6 18 21 A H B > -F 281 0C 37 263,-0.3 4,-1.9 -2,-0.3 3,-0.4 -0.673 41.6 -87.8-120.5 178.2 19.0 8.0 32.3 19 22 A L H > S+ 0 0 0 261,-2.4 4,-1.0 1,-0.2 262,-0.1 0.732 123.3 60.6 -60.2 -23.6 17.2 9.8 35.2 20 23 A G H >> S+ 0 0 17 260,-0.2 4,-0.9 2,-0.2 3,-0.7 0.936 106.3 45.4 -68.0 -46.9 16.1 12.6 32.9 21 24 A H H >> S+ 0 0 65 -3,-0.4 4,-1.7 1,-0.2 3,-0.5 0.893 107.3 61.2 -61.4 -38.6 14.1 10.1 30.7 22 25 A M H 3X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 5,-0.3 0.769 91.9 64.2 -63.3 -26.0 12.8 8.6 33.9 23 26 A L H S+ 0 0 0 -4,-2.4 5,-1.7 1,-0.2 3,-0.2 0.877 110.2 49.4 -62.7 -37.2 -6.7 6.7 35.8 36 39 A R H ><5S+ 0 0 74 -4,-2.2 3,-1.7 1,-0.2 -1,-0.2 0.869 106.0 57.3 -69.1 -34.7 -6.9 3.0 36.0 37 40 A M H 3<5S+ 0 0 37 -4,-1.8 414,-0.5 1,-0.3 -1,-0.2 0.778 101.9 56.0 -65.3 -26.0 -7.8 3.2 39.7 38 41 A R T 3<5S- 0 0 98 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.323 123.0-106.0 -89.0 8.4 -10.8 5.4 38.8 39 42 A G T < 5 + 0 0 56 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.543 69.5 142.9 84.5 9.3 -12.0 2.6 36.5 40 43 A H < - 0 0 36 -5,-1.7 2,-0.9 -39,-0.1 -1,-0.2 -0.398 59.0-108.9 -82.3 159.4 -11.2 4.0 33.0 41 44 A E E -a 3 0A 78 -39,-2.8 -37,-3.3 -2,-0.1 2,-0.4 -0.796 47.6-175.3 -86.9 109.3 -10.0 2.0 30.0 42 45 A V E -a 4 0A 12 -2,-0.9 2,-0.5 -39,-0.2 -37,-0.2 -0.914 22.0-169.0-117.0 135.7 -6.4 3.1 29.7 43 46 A N E -a 5 0A 3 -39,-2.7 -37,-3.1 -2,-0.4 2,-0.7 -0.956 8.5-166.5-121.9 108.6 -3.8 2.2 27.1 44 47 A F E -a 6 0A 0 -2,-0.5 45,-3.1 43,-0.3 46,-1.4 -0.875 18.9-178.4-100.1 114.3 -0.3 3.3 28.0 45 48 A I E +ac 7 90A 0 -39,-3.3 -37,-1.1 -2,-0.7 2,-0.3 -0.891 15.3 146.5-123.1 143.4 1.9 3.0 24.9 46 49 A C E + c 0 91A 0 44,-1.9 46,-2.3 -2,-0.3 2,-0.3 -0.907 11.4 179.7-155.3-177.4 5.6 3.6 24.0 47 50 A A E - c 0 92A 0 44,-0.3 2,-0.3 -2,-0.3 46,-0.3 -0.942 37.2 -85.9-179.5 163.0 8.3 2.3 21.7 48 51 A D E - c 0 93A 1 44,-1.6 46,-2.1 -2,-0.3 2,-1.0 -0.678 33.0-132.6 -85.2 139.7 11.9 2.8 20.7 49 52 A D B +e 12 0B 0 -38,-3.1 -36,-2.1 -2,-0.3 -35,-0.1 -0.834 37.0 170.7 -90.7 101.7 12.6 5.5 18.0 50 53 A A + 0 0 0 -2,-1.0 2,-0.2 -38,-0.2 -1,-0.1 0.215 36.0 82.2-106.8 16.8 14.9 3.3 15.9 51 54 A H + 0 0 0 140,-0.1 4,-0.4 4,-0.1 127,-0.2 -0.627 62.2 32.5-116.0 174.1 15.5 5.3 12.6 52 55 A G S > S- 0 0 0 125,-2.5 4,-2.4 -2,-0.2 3,-0.4 -0.126 97.0 -41.0 85.4-176.9 17.7 8.0 11.3 53 56 A T H > S+ 0 0 85 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.835 125.1 64.0 -58.8 -39.8 21.2 9.5 11.7 54 57 A P H > S+ 0 0 30 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.922 112.6 35.8 -53.8 -43.5 21.1 9.1 15.5 55 58 A I H > S+ 0 0 0 -3,-0.4 4,-2.7 -4,-0.4 -2,-0.2 0.893 116.5 53.1 -76.2 -42.2 20.9 5.3 15.1 56 59 A M H X S+ 0 0 37 -4,-2.4 4,-1.9 1,-0.2 -3,-0.2 0.926 109.8 49.4 -58.6 -45.8 23.2 5.2 12.0 57 60 A L H X S+ 0 0 76 -4,-3.3 4,-2.1 2,-0.2 -1,-0.2 0.945 113.2 44.6 -60.2 -52.1 25.9 7.1 13.8 58 61 A K H X S+ 0 0 55 -4,-1.5 4,-1.6 -5,-0.3 -1,-0.2 0.922 109.8 55.7 -60.0 -45.3 25.9 5.0 17.0 59 62 A A H <>S+ 0 0 3 -4,-2.7 5,-2.6 1,-0.2 -1,-0.2 0.894 108.9 49.0 -54.3 -42.0 25.7 1.8 15.0 60 63 A Q H ><5S+ 0 0 145 -4,-1.9 3,-2.3 3,-0.2 -1,-0.2 0.941 103.3 60.7 -62.9 -50.5 28.9 2.9 13.2 61 64 A Q H 3<5S+ 0 0 135 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.889 113.5 33.5 -45.1 -56.5 30.8 3.8 16.3 62 65 A L T 3<5S- 0 0 92 -4,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.149 114.3-116.1 -90.7 21.6 30.7 0.3 17.9 63 66 A G T < 5 + 0 0 64 -3,-2.3 2,-0.3 1,-0.2 -3,-0.2 0.925 69.9 127.2 44.1 65.8 30.9 -1.3 14.4 64 67 A I < - 0 0 44 -5,-2.6 -1,-0.2 -6,-0.1 -2,-0.1 -0.991 63.1 -99.2-147.9 151.4 27.6 -3.1 14.4 65 68 A T >> - 0 0 70 -2,-0.3 4,-2.6 1,-0.1 3,-0.5 -0.431 31.3-123.0 -71.5 143.5 24.5 -3.2 12.2 66 69 A P H 3> S+ 0 0 27 0, 0.0 4,-3.5 0, 0.0 5,-0.4 0.892 110.7 55.4 -52.1 -46.1 21.5 -1.0 13.1 67 70 A E H 3> S+ 0 0 103 1,-0.2 4,-1.1 2,-0.2 5,-0.1 0.863 111.2 44.7 -57.9 -37.9 19.1 -4.0 13.3 68 71 A Q H <> S+ 0 0 92 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.939 116.3 46.4 -71.4 -46.9 21.4 -5.7 15.8 69 72 A M H X S+ 0 0 9 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.942 110.8 49.4 -61.6 -51.4 21.9 -2.5 17.8 70 73 A I H X S+ 0 0 19 -4,-3.5 4,-2.5 1,-0.2 -1,-0.2 0.845 109.3 55.9 -60.0 -30.3 18.3 -1.5 17.9 71 74 A G H X S+ 0 0 35 -4,-1.1 4,-1.7 -5,-0.4 -1,-0.2 0.948 111.8 40.3 -65.8 -47.8 17.4 -5.0 19.0 72 75 A E H X S+ 0 0 103 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.884 115.5 52.3 -67.6 -38.7 19.8 -4.9 22.0 73 76 A M H X S+ 0 0 24 -4,-3.0 4,-3.0 2,-0.2 5,-0.2 0.911 106.3 53.7 -63.1 -44.8 18.8 -1.3 22.8 74 77 A S H X S+ 0 0 20 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.921 110.8 46.3 -56.0 -46.7 15.1 -2.2 22.8 75 78 A Q H X S+ 0 0 122 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.900 113.2 48.5 -64.3 -42.1 15.8 -4.9 25.4 76 79 A E H X S+ 0 0 70 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.922 112.5 48.7 -65.4 -44.9 17.9 -2.7 27.6 77 80 A H H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.948 112.6 47.3 -60.5 -49.1 15.4 0.1 27.5 78 81 A Q H X S+ 0 0 66 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.853 108.9 54.5 -63.4 -34.7 12.5 -2.2 28.4 79 82 A T H X S+ 0 0 93 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.943 111.0 46.2 -63.3 -45.2 14.4 -3.9 31.2 80 83 A D H X S+ 0 0 10 -4,-2.1 4,-1.0 2,-0.2 -2,-0.2 0.913 113.0 47.5 -64.1 -44.8 15.1 -0.5 32.8 81 84 A F H <>S+ 0 0 0 -4,-2.5 5,-2.3 1,-0.2 3,-0.5 0.883 111.6 51.8 -65.4 -35.4 11.5 0.8 32.4 82 85 A A H ><5S+ 0 0 63 -4,-2.2 3,-1.4 1,-0.2 -1,-0.2 0.871 104.2 58.3 -67.1 -34.6 10.3 -2.5 33.9 83 86 A G H 3<5S+ 0 0 30 -4,-1.9 -1,-0.2 1,-0.3 208,-0.2 0.766 107.7 45.7 -65.6 -25.3 12.7 -2.0 36.8 84 87 A F T 3<5S- 0 0 0 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.332 116.1-117.8 -98.3 7.7 10.9 1.3 37.5 85 88 A N T < 5 + 0 0 34 -3,-1.4 2,-0.9 1,-0.2 -3,-0.2 0.882 46.8 172.7 58.8 43.0 7.5 -0.4 37.2 86 89 A I < - 0 0 9 -5,-2.3 2,-1.7 1,-0.1 -1,-0.2 -0.766 27.9-142.5 -82.4 111.4 6.4 1.7 34.2 87 90 A S + 0 0 24 -2,-0.9 -43,-0.3 -3,-0.1 -1,-0.1 -0.281 29.7 171.8 -78.2 54.8 3.1 -0.1 33.4 88 91 A Y - 0 0 42 -2,-1.7 -43,-0.2 1,-0.2 3,-0.2 -0.312 30.2-154.5 -65.1 144.7 3.0 0.0 29.6 89 92 A D S S+ 0 0 51 -45,-3.1 2,-0.3 1,-0.3 -44,-0.2 0.704 86.8 8.7 -87.0 -23.3 0.3 -2.0 27.9 90 93 A N E -c 45 0A 16 -46,-1.4 -44,-1.9 2,-0.0 2,-0.5 -0.943 55.8-173.1-159.3 134.5 2.6 -2.1 24.9 91 94 A Y E +c 46 0A 22 -2,-0.3 -44,-0.3 -46,-0.2 2,-0.0 -0.966 31.2 154.0-127.5 111.2 6.2 -1.1 24.1 92 95 A H E -c 47 0A 34 -46,-2.3 -44,-1.6 -2,-0.5 2,-0.3 0.035 35.4-101.1-114.1-141.9 7.0 -1.5 20.4 93 96 A S E -c 48 0A 21 -46,-0.3 6,-0.3 105,-0.1 -44,-0.2 -0.993 10.7-135.3-152.3 149.4 9.3 -0.0 17.8 94 97 A T S S+ 0 0 0 -46,-2.1 2,-1.3 -2,-0.3 -45,-0.1 0.663 102.8 73.0 -77.2 -16.7 9.2 2.6 15.0 95 98 A H S S+ 0 0 57 -47,-0.3 2,-0.3 4,-0.1 -1,-0.2 -0.685 81.3 107.2 -97.3 78.6 11.1 -0.0 13.0 96 99 A S S > S- 0 0 15 -2,-1.3 4,-2.1 1,-0.1 5,-0.1 -0.961 82.0-110.8-149.4 163.3 8.1 -2.3 12.5 97 100 A E H > S+ 0 0 123 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.883 117.3 56.6 -64.3 -38.3 5.7 -3.4 9.8 98 101 A E H > S+ 0 0 30 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.926 110.1 42.8 -59.2 -47.3 2.9 -1.6 11.7 99 102 A N H > S+ 0 0 0 -6,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.863 112.8 53.6 -69.7 -34.2 4.7 1.7 11.5 100 103 A R H X S+ 0 0 68 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.931 111.2 45.2 -65.2 -44.6 5.8 1.2 7.9 101 104 A Q H X S+ 0 0 110 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.902 116.3 45.2 -66.0 -42.4 2.2 0.5 6.8 102 105 A L H X S+ 0 0 9 -4,-2.1 4,-2.7 -5,-0.2 5,-0.2 0.842 111.9 52.0 -71.1 -33.2 0.8 3.5 8.7 103 106 A S H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.919 112.9 45.4 -68.2 -42.3 3.6 5.8 7.6 104 107 A E H X S+ 0 0 70 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.879 113.2 51.2 -67.1 -37.7 2.9 4.8 4.0 105 108 A L H X S+ 0 0 57 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.958 113.2 43.0 -63.8 -52.6 -0.9 5.2 4.5 106 109 A I H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.902 115.2 49.9 -61.9 -42.2 -0.6 8.7 6.0 107 110 A Y H X S+ 0 0 10 -4,-2.4 4,-2.8 -5,-0.2 5,-0.2 0.944 111.2 49.6 -61.8 -45.9 1.9 9.8 3.4 108 111 A S H X S+ 0 0 57 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.877 112.4 47.2 -61.6 -39.0 -0.3 8.5 0.6 109 112 A R H X S+ 0 0 76 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.891 112.6 49.2 -70.7 -38.5 -3.4 10.3 2.1 110 113 A L H <>S+ 0 0 1 -4,-2.5 5,-3.1 2,-0.2 6,-0.5 0.937 113.7 45.9 -65.1 -46.4 -1.4 13.6 2.5 111 114 A K H ><5S+ 0 0 104 -4,-2.8 3,-1.5 4,-0.2 5,-0.3 0.938 113.9 48.4 -62.0 -46.7 -0.1 13.4 -1.1 112 115 A E H 3<5S+ 0 0 163 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.854 110.4 51.9 -62.1 -35.6 -3.5 12.5 -2.5 113 116 A N T 3<5S- 0 0 88 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.382 121.7-108.6 -82.3 3.1 -5.1 15.4 -0.5 114 117 A G T < 5S+ 0 0 34 -3,-1.5 -3,-0.2 -4,-0.2 -2,-0.1 0.669 85.6 119.3 80.7 20.0 -2.5 17.8 -1.9 115 118 A F < + 0 0 45 -5,-3.1 17,-3.0 -6,-0.2 2,-0.5 0.347 54.8 82.6 -98.2 5.6 -0.4 18.4 1.2 116 119 A I E -G 131 0D 13 -6,-0.5 2,-0.3 -5,-0.3 15,-0.2 -0.950 57.9-174.0-114.1 127.6 2.9 17.0 -0.2 117 120 A K E -G 130 0D 81 13,-2.9 13,-3.6 -2,-0.5 2,-0.4 -0.897 12.2-142.7-120.4 149.7 5.1 19.2 -2.4 118 121 A N E +G 129 0D 73 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.924 26.2 155.2-117.7 136.8 8.3 18.4 -4.3 119 122 A R E -G 128 0D 107 9,-2.2 9,-3.4 -2,-0.4 2,-0.2 -0.992 34.9-120.0-154.9 151.6 11.4 20.5 -4.8 120 123 A T E +G 127 0D 88 -2,-0.3 2,-0.3 7,-0.3 7,-0.2 -0.616 33.0 177.4 -92.1 152.8 15.1 20.1 -5.6 121 124 A I E G 126 0D 62 5,-1.7 5,-1.3 -2,-0.2 -2,-0.0 -0.936 360.0 360.0-148.3 169.4 17.9 21.3 -3.2 122 125 A S 0 0 125 -2,-0.3 3,-0.2 3,-0.2 -2,-0.0 -0.888 360.0 360.0-115.1 360.0 21.6 21.5 -2.8 123 ! 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 0.0 124 185 A R 0 0 256 0, 0.0 2,-0.2 0, 0.0 -3,-0.0 0.000 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-11.9 12.4 20.2 23.5 236 297 A I G <> S+ 0 0 6 -3,-1.6 4,-1.3 1,-0.1 -1,-0.2 0.119 78.2 109.4-122.2 23.5 10.1 18.3 21.2 237 298 A V H <> S+ 0 0 8 -3,-0.7 4,-2.3 1,-0.2 5,-0.3 0.836 71.7 62.3 -67.4 -33.0 6.9 20.4 21.5 238 299 A Y H >>S+ 0 0 64 1,-0.2 4,-1.6 -4,-0.2 5,-1.1 0.927 105.8 44.7 -59.9 -45.8 7.2 21.8 18.0 239 300 A F H 4>S+ 0 0 46 1,-0.2 5,-2.7 3,-0.2 -1,-0.2 0.853 118.9 43.4 -66.3 -36.1 6.9 18.3 16.4 240 301 A H H <5S+ 0 0 0 -4,-1.3 -2,-0.2 3,-0.2 -1,-0.2 0.707 119.6 38.7 -84.4 -22.1 4.0 17.4 18.7 241 302 A S H <5S+ 0 0 0 -4,-2.3 -2,-0.2 -5,-0.1 -3,-0.2 0.618 132.1 14.4-104.2 -15.9 2.0 20.6 18.5 242 303 A L T X5S+ 0 0 0 -4,-1.6 4,-1.7 -5,-0.3 5,-0.2 0.668 127.9 35.2-121.8 -70.2 2.4 21.6 14.9 243 304 A F H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.865 115.8 49.7 -60.4 -32.9 -1.6 17.4 14.6 246 307 A A H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.908 107.6 52.4 -71.7 -41.7 -1.4 18.7 11.0 247 308 A M H X S+ 0 0 0 -4,-2.6 4,-0.6 -5,-0.2 -1,-0.2 0.912 113.1 46.0 -58.6 -42.5 -0.2 15.3 9.6 248 309 A L H ><>S+ 0 0 0 -4,-2.2 5,-2.8 2,-0.2 3,-0.9 0.922 111.5 50.6 -66.4 -46.6 -3.2 13.7 11.4 249 310 A E H ><5S+ 0 0 55 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.929 110.1 50.1 -57.8 -47.6 -5.7 16.3 10.2 250 311 A G H 3<5S+ 0 0 4 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.604 111.3 49.1 -69.5 -11.9 -4.6 15.9 6.6 251 312 A S T <<5S- 0 0 0 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.2 0.114 118.8-102.5-114.4 19.0 -4.9 12.1 6.7 252 313 A N T < 5S+ 0 0 92 -3,-1.3 -30,-0.8 1,-0.2 2,-0.3 0.806 80.2 126.3 67.3 33.0 -8.4 11.9 8.2 253 314 A F B < -K 221 0F 12 -5,-2.8 -1,-0.2 -32,-0.2 -32,-0.2 -0.822 63.4 -99.5-117.7 160.5 -7.2 11.0 11.7 254 315 A R - 0 0 23 -34,-2.4 -32,-0.1 -2,-0.3 -31,-0.1 -0.377 34.5-127.4 -74.8 155.9 -8.0 12.6 15.1 255 316 A K - 0 0 45 -33,-0.2 -27,-0.2 1,-0.2 -1,-0.1 -0.560 40.9 -73.8 -98.1 165.8 -5.6 15.0 16.7 256 317 A P - 0 0 1 0, 0.0 -27,-0.2 0, 0.0 -1,-0.2 -0.256 29.7-141.9 -59.0 146.0 -4.3 14.8 20.3 257 318 A S S S- 0 0 36 -29,-2.5 2,-0.3 1,-0.3 -28,-0.2 0.853 80.8 -19.6 -74.8 -35.3 -6.7 15.7 23.1 258 319 A N E -d 229 0A 24 -30,-1.6 -28,-1.5 -110,-0.0 2,-0.5 -0.990 53.9-130.6-167.7 158.8 -3.8 17.3 24.9 259 320 A L E -d 230 0A 0 -2,-0.3 2,-0.7 -30,-0.2 -109,-0.4 -0.972 16.3-157.7-116.2 130.8 -0.1 17.5 25.3 260 321 A F E -d 231 0A 9 -30,-2.8 -28,-2.1 -2,-0.5 2,-0.4 -0.920 17.8-167.7-111.4 104.0 1.4 17.3 28.8 261 322 A V E -d 232 0A 0 -2,-0.7 2,-0.3 -30,-0.2 -28,-0.2 -0.760 4.5-169.6 -99.4 138.2 4.8 18.9 28.7 262 323 A H E -d 233 0A 11 -30,-2.1 -28,-1.4 -2,-0.4 44,-0.2 -0.807 16.9-120.7-121.5 164.3 7.4 18.7 31.4 263 324 A G - 0 0 1 44,-0.9 2,-0.2 42,-0.3 45,-0.2 -0.035 41.4 -74.9 -87.8-164.9 10.7 20.4 32.2 264 325 A Y - 0 0 97 42,-0.2 45,-2.7 -31,-0.1 2,-0.4 -0.610 35.2-120.3 -98.2 155.5 14.2 19.1 32.6 265 326 A V E -l 309 0G 14 -2,-0.2 7,-0.4 43,-0.2 2,-0.3 -0.770 29.3-174.3 -92.1 134.1 15.8 17.1 35.4 266 327 A T E -l 310 0G 22 43,-2.3 45,-3.1 -2,-0.4 2,-0.5 -0.853 15.9-140.1-120.2 159.0 18.8 18.7 37.0 267 328 A V E > S-lM 311 270G 2 3,-3.1 3,-1.9 -2,-0.3 45,-0.2 -0.995 83.0 -8.5-124.6 128.7 20.9 17.1 39.7 268 329 A N T 3 S- 0 0 79 43,-2.0 -1,-0.1 -2,-0.5 44,-0.1 0.846 131.7 -56.6 53.5 37.3 22.2 19.2 42.6 269 330 A G T 3 S+ 0 0 54 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.295 121.2 85.1 83.2 -9.0 20.9 22.2 40.8 270 331 A A B < S-M 267 0G 57 -3,-1.9 -3,-3.1 1,-0.1 -1,-0.2 -0.813 88.6 -83.8-124.9 164.2 22.9 21.7 37.5 271 332 A K S S- 0 0 179 -2,-0.3 -5,-0.1 -5,-0.2 -1,-0.1 -0.271 71.6 -76.9 -57.4 150.5 22.5 19.8 34.3 272 333 A M - 0 0 33 -7,-0.4 2,-0.5 1,-0.1 7,-0.2 -0.256 52.0-154.6 -54.5 138.8 23.7 16.2 34.7 273 334 A S >> - 0 0 18 1,-0.1 5,-2.4 -3,-0.1 4,-0.9 -0.962 17.3-162.4-125.6 117.0 27.6 16.0 34.8 274 335 A K T >45S+ 0 0 119 -2,-0.5 3,-0.7 1,-0.2 215,-0.2 0.919 95.3 51.0 -61.5 -44.8 29.5 12.9 33.8 275 336 A S T 345S+ 0 0 94 1,-0.2 -1,-0.2 2,-0.1 211,-0.1 0.837 113.7 45.0 -63.0 -33.0 32.7 14.1 35.5 276 337 A R T 345S- 0 0 173 -3,-0.1 -1,-0.2 209,-0.1 -2,-0.2 0.558 113.1-117.2 -87.5 -9.6 30.9 14.8 38.7 277 338 A G T <<5S+ 0 0 0 -4,-0.9 208,-0.2 -3,-0.7 -3,-0.2 0.741 84.1 115.7 81.0 22.4 29.0 11.5 38.6 278 339 A T < + 0 0 9 -5,-2.4 2,-1.2 207,-0.1 -4,-0.2 0.367 45.5 93.4-103.2 0.9 25.5 13.2 38.3 279 340 A F - 0 0 46 -6,-0.9 2,-0.5 -7,-0.2 -1,-0.1 -0.823 67.9-174.4 -92.3 95.5 24.8 11.8 34.9 280 341 A I - 0 0 0 -2,-1.2 -261,-2.4 4,-0.0 -260,-0.2 -0.855 19.3-143.3-106.4 124.3 23.0 8.7 36.3 281 342 A K B > -F 18 0C 55 -2,-0.5 4,-2.3 -263,-0.3 -263,-0.3 -0.469 22.4-122.4 -78.5 150.9 21.7 5.8 34.2 282 343 A A H > S+ 0 0 0 -265,-2.7 4,-1.8 1,-0.2 -264,-0.1 0.904 113.6 51.6 -59.5 -42.1 18.4 4.2 35.1 283 344 A S H > S+ 0 0 43 -266,-0.5 4,-0.7 1,-0.2 -1,-0.2 0.904 109.2 50.3 -63.3 -40.3 20.1 0.8 35.5 284 345 A T H >> S+ 0 0 1 1,-0.2 3,-1.2 2,-0.2 4,-0.7 0.916 105.6 56.2 -64.7 -43.1 22.8 2.3 37.8 285 346 A W H >X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.3 3,-1.7 0.933 103.9 53.8 -53.1 -48.7 20.2 3.9 40.0 286 347 A L H 3< S+ 0 0 51 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.669 97.2 65.4 -63.3 -18.4 18.5 0.6 40.6 287 348 A N H << S+ 0 0 128 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.756 118.4 24.8 -73.0 -24.2 21.8 -1.0 41.7 288 349 A H H << S+ 0 0 52 -3,-1.7 2,-0.3 -4,-0.7 -2,-0.2 0.755 128.3 21.0-109.9 -36.2 21.7 1.4 44.7 289 350 A F S < S- 0 0 13 -4,-2.8 -1,-0.2 -5,-0.2 2,-0.1 -0.826 76.0-106.2-131.2 169.8 18.1 2.4 45.4 290 351 A D > - 0 0 56 -2,-0.3 4,-0.7 1,-0.1 3,-0.1 -0.367 32.8-111.5 -89.4 175.5 14.7 1.0 44.7 291 352 A A H > S+ 0 0 8 -208,-0.2 4,-2.4 1,-0.2 3,-0.4 0.895 109.8 64.1 -74.7 -40.0 12.3 2.5 42.2 292 353 A D H > S+ 0 0 1 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.826 95.3 59.8 -53.2 -38.7 9.8 3.9 44.7 293 354 A S H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.936 111.6 37.7 -58.2 -49.1 12.3 6.3 46.2 294 355 A L H X S+ 0 0 0 -4,-0.7 4,-2.7 -3,-0.4 5,-0.3 0.888 114.3 56.0 -70.3 -39.8 12.8 8.2 43.0 295 356 A R H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.936 111.4 44.7 -57.9 -45.0 9.2 7.9 42.0 296 357 A Y H X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.2 -2,-0.2 0.942 112.5 50.0 -64.0 -48.9 8.2 9.5 45.2 297 358 A Y H X S+ 0 0 3 -4,-2.2 4,-0.9 -5,-0.2 -2,-0.2 0.930 114.2 44.0 -56.8 -49.4 10.9 12.3 45.1 298 359 A Y H >X S+ 0 0 0 -4,-2.7 4,-1.5 1,-0.2 3,-0.9 0.933 113.4 51.3 -60.7 -48.2 9.9 13.3 41.5 299 360 A T H 3< S+ 0 0 0 -4,-2.3 81,-0.3 -5,-0.3 -1,-0.2 0.858 104.1 57.5 -59.0 -38.0 6.2 13.1 42.2 300 361 A A H 3< S+ 0 0 10 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.776 115.7 37.3 -65.1 -25.6 6.6 15.4 45.3 301 362 A K H << S+ 0 0 74 -3,-0.9 -2,-0.2 -4,-0.9 -1,-0.2 0.593 94.7 102.8-102.2 -13.8 8.2 18.0 43.0 302 363 A L < + 0 0 5 -4,-1.5 75,-2.7 -3,-0.1 76,-0.2 -0.366 40.7 166.2 -75.0 150.4 6.1 17.7 39.9 303 364 A S - 0 0 34 2,-0.4 72,-0.2 73,-0.2 -2,-0.0 -0.777 52.9 -89.0-144.5-172.6 3.3 20.1 38.9 304 365 A S S S+ 0 0 8 -2,-0.2 -43,-0.2 -42,-0.0 2,-0.1 0.451 98.6 89.3 -85.6 0.1 1.2 20.9 35.8 305 366 A R S S- 0 0 126 69,-0.1 -2,-0.4 -45,-0.1 -42,-0.3 -0.447 86.6-115.4 -93.9 169.9 3.8 23.5 34.7 306 367 A I + 0 0 19 -44,-0.2 -42,-0.2 -2,-0.1 -72,-0.1 0.139 64.9 139.8 -90.6 20.8 6.9 23.0 32.5 307 368 A D - 0 0 96 -44,-0.2 -44,-0.9 1,-0.1 -4,-0.2 -0.262 58.5-101.6 -68.0 149.8 9.3 23.9 35.2 308 369 A D - 0 0 78 -45,-0.2 2,-0.5 -46,-0.1 -43,-0.2 -0.336 31.1-135.7 -67.2 151.9 12.6 22.0 35.7 309 370 A I E -l 265 0G 9 -45,-2.7 -43,-2.3 2,-0.0 2,-0.6 -0.958 13.6-148.7-115.2 122.1 12.8 19.4 38.4 310 371 A D E -l 266 0G 39 -2,-0.5 2,-1.2 -45,-0.2 -43,-0.2 -0.796 6.5-158.1 -98.2 121.6 15.8 19.3 40.7 311 372 A L E -l 267 0G 0 -45,-3.1 -43,-2.0 -2,-0.6 2,-0.9 -0.778 14.1-171.8 -92.8 92.8 17.1 16.0 42.2 312 373 A N > - 0 0 53 -2,-1.2 4,-2.2 -45,-0.2 -45,-0.1 -0.809 12.4-153.7 -87.3 108.1 19.1 17.3 45.1 313 374 A L H > S+ 0 0 5 -2,-0.9 4,-1.5 1,-0.2 -1,-0.2 0.833 91.5 50.3 -53.3 -39.0 20.8 14.2 46.4 314 375 A E H > S+ 0 0 97 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.945 113.0 45.8 -64.2 -48.9 21.1 15.4 49.9 315 376 A D H > S+ 0 0 49 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.800 104.2 66.8 -63.5 -30.4 17.4 16.4 50.1 316 377 A F H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.959 103.4 41.8 -56.2 -56.0 16.6 13.0 48.5 317 378 A V H X S+ 0 0 11 -4,-1.5 4,-2.1 1,-0.2 156,-0.3 0.931 117.0 48.3 -59.0 -47.2 17.7 11.0 51.5 318 379 A Q H X S+ 0 0 118 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.904 113.8 46.3 -61.6 -42.8 16.1 13.4 54.0 319 380 A R H X>S+ 0 0 78 -4,-3.0 4,-2.7 2,-0.2 5,-0.5 0.907 111.6 49.6 -68.7 -44.1 12.8 13.5 52.1 320 381 A V H X>S+ 0 0 0 -4,-2.5 5,-1.5 -5,-0.3 4,-1.1 0.928 116.4 42.2 -61.8 -45.1 12.4 9.7 51.6 321 382 A N H <>S+ 0 0 8 -4,-2.1 5,-2.9 -5,-0.3 -2,-0.2 0.902 117.3 47.1 -68.9 -41.0 13.2 9.0 55.2 322 383 A A H <5S+ 0 0 30 -4,-2.2 -2,-0.2 -5,-0.3 -3,-0.2 0.913 125.0 26.6 -68.0 -45.3 11.0 11.8 56.6 323 384 A D H X>S+ 0 0 4 -4,-2.7 5,-2.1 -5,-0.2 4,-0.7 0.952 130.2 30.9 -85.5 -57.6 7.9 11.2 54.5 324 385 A I T >> S+ 0 0 0 -3,-1.0 4,-1.4 -4,-0.3 -2,-0.2 0.674 104.5 70.4-111.1 -26.3 0.2 0.1 65.6 336 397 A A H X S+ 0 0 3 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.802 89.9 63.3 -64.3 -33.3 0.8 -3.4 64.1 337 398 A G H X S+ 0 0 39 -4,-0.7 4,-2.4 1,-0.2 5,-0.4 0.966 105.1 43.0 -57.5 -56.6 2.7 -4.7 67.0 338 399 A F H >>S+ 0 0 51 -4,-0.2 4,-2.2 1,-0.2 5,-0.6 0.879 115.0 52.2 -58.0 -39.4 -0.1 -4.4 69.6 339 400 A I H X5S+ 0 0 0 -4,-1.4 6,-2.1 3,-0.2 4,-1.2 0.929 114.4 38.7 -65.0 -47.3 -2.6 -5.8 67.1 340 401 A N H <5S+ 0 0 28 -4,-2.6 4,-0.5 4,-0.3 -2,-0.2 0.859 125.8 36.0 -73.2 -36.7 -0.7 -8.9 66.1 341 402 A K H <5S+ 0 0 183 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.2 0.887 128.0 32.1 -84.7 -42.6 0.6 -9.7 69.6 342 403 A R H <5S+ 0 0 90 -4,-2.2 -3,-0.2 -5,-0.4 -2,-0.2 0.704 134.5 25.3 -88.8 -22.0 -2.3 -8.6 71.8 343 404 A F S >< + 0 0 39 61,-0.1 4,-2.0 1,-0.1 -1,-0.3 -0.641 62.8 176.0-144.9 82.7 -13.0 8.0 65.7 354 415 A P H > S+ 0 0 80 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.815 83.2 60.5 -54.6 -33.3 -15.4 8.1 62.8 355 416 A Q H > S+ 0 0 160 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.951 106.3 42.9 -59.4 -55.6 -14.8 11.9 62.6 356 417 A L H > S+ 0 0 17 -3,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.892 112.9 52.9 -60.1 -42.8 -11.1 11.6 61.9 357 418 A Y H X S+ 0 0 10 -4,-2.0 4,-2.4 1,-0.2 5,-0.2 0.907 107.3 52.6 -61.0 -40.8 -11.6 8.8 59.4 358 419 A K H X S+ 0 0 117 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.840 103.6 57.1 -63.7 -33.5 -14.2 11.0 57.6 359 420 A T H X S+ 0 0 69 -4,-1.6 4,-1.0 2,-0.2 -1,-0.2 0.926 109.8 46.2 -62.2 -42.3 -11.6 13.7 57.4 360 421 A F H < S+ 0 0 0 -4,-1.8 3,-0.3 1,-0.2 -2,-0.2 0.910 116.2 42.0 -67.0 -45.2 -9.3 11.3 55.6 361 422 A T H >< S+ 0 0 12 -4,-2.4 3,-1.4 1,-0.2 4,-0.3 0.818 107.7 61.7 -73.8 -28.8 -11.9 9.9 53.2 362 423 A D H >< S+ 0 0 90 -4,-2.5 3,-0.9 1,-0.3 4,-0.4 0.808 94.6 64.7 -64.9 -28.0 -13.3 13.4 52.5 363 424 A A T 3X S+ 0 0 12 -4,-1.0 4,-2.5 -3,-0.3 5,-0.3 0.595 76.7 88.1 -71.4 -10.7 -9.9 14.4 51.1 364 425 A A H <> S+ 0 0 11 -3,-1.4 4,-2.8 1,-0.2 5,-0.3 0.876 83.0 57.0 -55.9 -39.6 -10.2 11.9 48.3 365 426 A E H <> S+ 0 0 171 -3,-0.9 4,-2.0 -4,-0.3 -1,-0.2 0.946 112.4 37.4 -58.0 -53.8 -11.9 14.5 46.2 366 427 A V H > S+ 0 0 52 -4,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.877 119.0 48.6 -68.8 -39.2 -9.1 17.1 46.3 367 428 A I H X S+ 0 0 1 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.912 112.3 48.5 -68.5 -42.5 -6.3 14.5 46.1 368 429 A G H X S+ 0 0 0 -4,-2.8 4,-2.8 -5,-0.3 -2,-0.2 0.917 110.2 51.3 -62.5 -43.0 -7.9 12.7 43.2 369 430 A E H X S+ 0 0 118 -4,-2.0 4,-2.5 -5,-0.3 6,-0.3 0.835 108.4 54.0 -62.5 -31.1 -8.4 16.1 41.4 370 431 A A H <>S+ 0 0 1 -4,-1.5 5,-1.9 2,-0.2 4,-0.4 0.908 109.6 44.9 -70.2 -43.6 -4.7 16.8 42.0 371 432 A W H ><5S+ 0 0 0 -4,-2.1 3,-1.2 3,-0.2 -2,-0.2 0.949 115.3 50.4 -62.9 -46.6 -3.6 13.5 40.4 372 433 A E H 3<5S+ 0 0 59 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.901 112.3 44.3 -56.8 -47.6 -6.0 14.1 37.6 373 434 A S T 3<5S- 0 0 36 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.409 113.5-116.3 -81.0 1.6 -4.8 17.7 36.9 374 435 A R T < 5S+ 0 0 27 -3,-1.2 2,-1.7 -4,-0.4 3,-0.3 0.649 71.9 138.4 71.5 16.7 -1.1 16.6 37.2 375 436 A E >< + 0 0 47 -5,-1.9 4,-1.9 -6,-0.3 3,-0.3 -0.500 19.3 159.7 -88.6 65.2 -0.6 18.8 40.3 376 437 A F H > + 0 0 0 -2,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.866 66.5 56.2 -58.2 -41.9 1.4 15.9 41.9 377 438 A G H > S+ 0 0 4 -75,-2.7 4,-2.4 -3,-0.3 -1,-0.2 0.897 107.7 49.7 -58.9 -39.9 3.2 18.2 44.4 378 439 A K H > S+ 0 0 97 -3,-0.3 4,-2.2 -76,-0.2 -1,-0.2 0.908 109.5 51.4 -64.9 -42.5 -0.2 19.3 45.7 379 440 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.945 111.5 46.6 -59.9 -49.0 -1.4 15.8 46.0 380 441 A V H X S+ 0 0 1 -4,-2.6 4,-2.9 -81,-0.3 5,-0.3 0.916 110.5 52.2 -61.7 -43.9 1.7 14.7 48.0 381 442 A R H X S+ 0 0 159 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.912 111.7 47.1 -59.1 -41.7 1.5 17.8 50.3 382 443 A E H X S+ 0 0 62 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.910 112.8 49.5 -65.5 -42.2 -2.2 16.9 51.0 383 444 A I H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.910 112.4 46.3 -64.4 -42.9 -1.4 13.3 51.7 384 445 A M H X S+ 0 0 10 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.811 107.2 58.2 -71.2 -27.7 1.5 14.1 54.0 385 446 A A H X S+ 0 0 50 -4,-1.8 4,-1.8 -5,-0.3 -1,-0.2 0.910 109.0 46.3 -65.7 -40.2 -0.7 16.7 55.8 386 447 A L H X S+ 0 0 6 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.897 108.5 55.1 -67.4 -41.1 -3.0 13.8 56.5 387 448 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.916 107.1 50.5 -59.1 -42.5 -0.2 11.5 57.6 388 449 A D H X S+ 0 0 67 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.924 109.8 51.4 -60.4 -42.4 0.8 14.2 60.1 389 450 A L H X S+ 0 0 55 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.916 110.0 48.8 -59.8 -45.8 -2.8 14.2 61.3 390 451 A A H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.908 112.1 47.6 -62.9 -43.5 -2.8 10.4 61.7 391 452 A N H X S+ 0 0 16 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.812 110.6 52.5 -69.1 -28.8 0.5 10.4 63.7 392 453 A R H X S+ 0 0 123 -4,-2.0 4,-2.8 -5,-0.2 5,-0.2 0.904 107.2 52.8 -71.5 -40.6 -0.8 13.2 65.9 393 454 A Y H X S+ 0 0 11 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.943 110.4 47.8 -56.9 -49.1 -3.9 11.2 66.6 394 455 A V H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.864 111.4 50.5 -61.2 -38.2 -1.7 8.3 67.6 395 456 A D H < S+ 0 0 79 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.935 111.6 47.4 -65.9 -46.1 0.4 10.5 69.8 396 457 A E H < S+ 0 0 137 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.904 115.3 44.3 -61.7 -44.3 -2.6 12.0 71.6 397 458 A Q H < S- 0 0 77 -4,-2.5 5,-0.3 -5,-0.2 -1,-0.2 0.772 93.2-160.0 -72.1 -25.6 -4.2 8.6 72.2 398 459 A A >X - 0 0 16 -4,-1.6 4,-1.7 -5,-0.2 3,-0.8 0.931 10.3-169.9 42.1 80.0 -0.8 7.2 73.3 399 460 A P H 3> S+ 0 0 2 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.806 81.6 64.0 -67.0 -30.5 -1.3 3.4 72.8 400 461 A W H 3> S+ 0 0 119 2,-0.2 4,-0.7 1,-0.2 -2,-0.1 0.766 106.9 44.7 -64.9 -24.9 2.0 2.6 74.6 401 462 A V H X4 S+ 0 0 54 -3,-0.8 3,-0.5 2,-0.2 4,-0.2 0.893 113.7 47.2 -82.7 -45.9 0.5 4.1 77.7 402 463 A V H >< S+ 0 0 7 -4,-1.7 3,-0.7 -5,-0.3 6,-0.2 0.722 104.6 67.2 -66.8 -20.7 -2.9 2.4 77.3 403 464 A A H 3< S+ 0 0 20 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.884 100.8 43.5 -68.4 -41.9 -0.9 -0.8 76.7 404 465 A K T << S+ 0 0 166 -4,-0.7 2,-1.0 -3,-0.5 -1,-0.2 0.339 91.3 97.6 -88.3 8.5 0.5 -1.1 80.2 405 466 A Q S X S- 0 0 78 -3,-0.7 3,-1.1 -4,-0.2 -1,-0.1 -0.796 78.1-132.7-100.4 93.9 -2.9 -0.2 81.8 406 467 A E T 3 S+ 0 0 105 -2,-1.0 -2,-0.1 1,-0.2 -3,-0.0 -0.108 89.1 28.2 -45.9 132.5 -4.4 -3.6 82.7 407 468 A G T 3 S+ 0 0 69 3,-0.0 -1,-0.2 0, 0.0 3,-0.1 0.582 93.0 98.7 89.7 11.7 -8.1 -3.8 81.6 408 469 A R <> + 0 0 80 -3,-1.1 4,-2.4 -6,-0.2 5,-0.1 0.076 39.4 116.8-116.4 22.3 -7.7 -1.4 78.7 409 470 A D H > S+ 0 0 68 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.914 75.7 51.2 -55.9 -48.7 -7.3 -4.0 75.9 410 471 A A H > S+ 0 0 72 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.927 111.8 47.3 -56.0 -47.7 -10.5 -2.9 74.1 411 472 A D H > S+ 0 0 75 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.892 111.8 51.9 -61.5 -40.5 -9.4 0.7 74.1 412 473 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.939 109.5 47.3 -61.8 -50.3 -6.0 -0.3 72.8 413 474 A Q H X S+ 0 0 42 -4,-2.8 4,-2.1 1,-0.2 -65,-0.5 0.871 111.5 53.1 -60.0 -37.5 -7.3 -2.4 69.9 414 475 A A H X S+ 0 0 26 -4,-2.1 4,-1.6 -5,-0.3 -62,-0.5 0.925 111.9 44.5 -64.3 -44.7 -9.6 0.5 69.0 415 476 A I H X S+ 0 0 8 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.961 117.3 42.4 -64.1 -54.1 -6.7 3.0 69.0 416 477 A C H X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.787 113.5 51.7 -66.1 -30.8 -4.3 0.8 67.0 417 478 A S H X S+ 0 0 3 -4,-2.1 4,-2.2 -5,-0.3 -1,-0.2 0.876 106.9 55.7 -72.1 -36.2 -6.9 -0.4 64.5 418 479 A M H X S+ 0 0 2 -4,-1.6 4,-1.5 -5,-0.3 -2,-0.2 0.912 107.9 48.7 -60.3 -43.3 -7.8 3.2 63.9 419 480 A G H X S+ 0 0 0 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.880 109.8 50.3 -65.3 -40.5 -4.2 3.9 63.0 420 481 A I H X S+ 0 0 0 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.849 109.1 52.5 -67.7 -33.1 -4.0 1.0 60.6 421 482 A N H X S+ 0 0 3 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.841 107.6 51.2 -71.5 -30.3 -7.2 2.1 58.9 422 483 A L H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.887 109.1 51.8 -70.5 -37.3 -5.7 5.6 58.5 423 484 A F H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 5,-0.2 0.882 104.6 57.0 -63.4 -40.9 -2.6 3.9 56.9 424 485 A R H X S+ 0 0 9 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.911 108.7 46.3 -57.5 -44.8 -5.0 2.0 54.6 425 486 A V H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 3,-0.3 0.935 112.2 49.7 -65.8 -46.2 -6.4 5.3 53.3 426 487 A L H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.919 109.5 50.8 -59.7 -45.5 -3.0 6.9 52.9 427 488 A M H X S+ 0 0 0 -4,-2.8 4,-0.6 1,-0.2 -1,-0.2 0.787 106.7 56.4 -64.6 -25.6 -1.5 4.0 50.9 428 489 A T H >< S+ 0 0 0 -4,-1.2 3,-0.7 -3,-0.3 -1,-0.2 0.930 108.1 46.2 -70.4 -44.6 -4.5 4.1 48.6 429 490 A Y H 3< S+ 0 0 0 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.826 117.5 45.0 -66.2 -30.6 -3.8 7.7 47.7 430 491 A L H >X S+ 0 0 1 -4,-1.8 4,-2.3 -5,-0.2 3,-1.3 0.504 83.6 99.3 -90.9 -5.0 -0.1 6.9 47.2 431 492 A K T << S+ 0 0 44 -3,-0.7 -1,-0.2 -4,-0.6 7,-0.1 0.843 80.0 53.4 -51.4 -39.6 -0.8 3.7 45.2 432 493 A P T 34 S+ 0 0 0 0, 0.0 -1,-0.3 0, 0.0 -399,-0.2 0.804 115.7 42.1 -66.4 -25.3 -0.2 5.4 41.9 433 494 A V T <4 S+ 0 0 0 -3,-1.3 -2,-0.2 1,-0.2 -134,-0.1 0.872 119.1 35.6 -88.2 -43.0 3.2 6.6 43.2 434 495 A L X + 0 0 2 -4,-2.3 4,-2.3 -7,-0.2 -1,-0.2 -0.679 60.1 169.9-120.1 77.4 4.7 3.6 45.0 435 496 A P H > S+ 0 0 9 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.862 79.1 42.8 -53.0 -45.7 3.7 0.4 43.3 436 497 A K H > S+ 0 0 80 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.934 114.1 47.2 -73.1 -46.6 6.1 -1.9 45.3 437 498 A L H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.891 110.7 56.6 -60.3 -36.8 5.5 -0.5 48.7 438 499 A T H X S+ 0 0 1 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.920 105.1 49.7 -61.1 -43.3 1.8 -0.7 47.9 439 500 A E H X S+ 0 0 103 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.909 111.7 49.0 -62.0 -41.1 2.0 -4.4 47.2 440 501 A R H X S+ 0 0 90 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.886 112.0 49.0 -65.6 -36.5 3.8 -4.9 50.5 441 502 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.888 109.2 52.0 -69.1 -39.6 1.1 -2.9 52.2 442 503 A E H X>S+ 0 0 36 -4,-2.7 5,-1.7 2,-0.2 4,-1.1 0.857 107.9 52.0 -65.6 -34.3 -1.6 -4.9 50.6 443 504 A A H <5S+ 0 0 62 -4,-1.9 21,-0.2 2,-0.2 -1,-0.2 0.913 112.5 46.2 -66.6 -42.3 0.0 -8.2 51.7 444 505 A F H <5S+ 0 0 3 -4,-1.8 20,-2.7 1,-0.2 -2,-0.2 0.928 117.0 42.7 -64.4 -47.4 0.1 -6.8 55.3 445 506 A L H <5S- 0 0 0 -4,-2.8 -1,-0.2 18,-0.2 -2,-0.2 0.597 100.8-132.5 -77.3 -11.5 -3.5 -5.6 55.2 446 507 A N T <5S+ 0 0 75 -4,-1.1 2,-0.3 1,-0.2 -3,-0.2 0.904 73.6 100.5 59.2 40.4 -4.8 -8.7 53.4 447 508 A T S - 0 0 56 -2,-0.7 4,-0.6 1,-0.1 3,-0.1 -0.876 39.8-119.7-118.4 154.0 -9.1 0.4 45.6 451 512 A W T >4 S+ 0 0 11 -414,-0.5 3,-0.6 -2,-0.3 4,-0.1 0.889 115.0 38.3 -58.7 -44.5 -10.1 4.1 45.4 452 513 A D G >4 S+ 0 0 111 1,-0.2 3,-1.8 2,-0.1 -1,-0.2 0.688 98.7 80.6 -81.4 -18.2 -13.7 3.5 46.5 453 514 A G G >4 S+ 0 0 11 1,-0.3 3,-2.0 2,-0.2 -1,-0.2 0.754 75.1 73.4 -59.6 -25.8 -12.7 0.8 49.0 454 515 A I G << S+ 0 0 0 -4,-0.6 -1,-0.3 -3,-0.6 -2,-0.1 0.714 80.8 72.5 -63.3 -19.1 -11.6 3.4 51.6 455 516 A Q G < S+ 0 0 100 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.703 97.1 54.8 -68.3 -17.1 -15.3 4.2 52.2 456 517 A Q S < S- 0 0 127 -3,-2.0 -1,-0.2 -4,-0.2 3,-0.1 -0.835 85.1-151.9-119.4 91.6 -15.4 0.8 54.0 457 518 A P - 0 0 26 0, 0.0 2,-0.7 0, 0.0 -2,-0.0 -0.160 31.6 -94.3 -59.8 157.4 -12.8 0.6 56.8 458 519 A L + 0 0 14 -41,-0.1 2,-0.4 3,-0.0 3,-0.2 -0.658 52.4 177.3 -78.1 113.8 -11.4 -2.8 57.7 459 520 A L - 0 0 79 -2,-0.7 -110,-0.3 1,-0.2 -111,-0.2 -0.949 64.4 -1.8-121.8 139.4 -13.4 -4.1 60.7 460 521 A G S S+ 0 0 54 -112,-1.6 2,-0.4 -113,-0.5 -1,-0.2 0.905 100.4 150.6 47.6 43.7 -13.1 -7.4 62.5 461 522 A H - 0 0 43 -113,-0.3 -114,-2.5 -3,-0.2 2,-0.5 -0.893 47.7-129.9-114.3 135.1 -10.4 -8.0 59.9 462 523 A K B -N 346 0H 92 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