==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-OCT-11 3UA3 . COMPND 2 MOLECULE: PROTEIN ARGININE N-METHYLTRANSFERASE 5; . SOURCE 2 ORGANISM_SCIENTIFIC: CAENORHABDITIS ELEGANS; . AUTHOR L.SUN,M.WANG,Z.LV,N.YANG,Y.LIU,S.BAO,W.GONG,R.M.XU . 1315 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 54069.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 873 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 122 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 150 11.4 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 . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.5 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 . 113 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 151 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 287 21.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.1 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 5 0 4 3 3 3 5 2 0 4 0 0 0 1 0 2 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 5 7 6 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 PARALLEL BRIDGES PER LADDER . 4 10 3 1 1 1 2 2 2 1 1 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 2 2 0 2 1 1 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 45 A N > 0 0 100 0, 0.0 3,-0.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -44.6 42.1 31.4 -5.3 2 46 A S T 3 + 0 0 91 1,-0.2 0, 0.0 3,-0.1 0, 0.0 0.872 360.0 49.8 -48.0 -61.7 41.2 28.2 -3.5 3 47 A R T 3 S+ 0 0 116 1,-0.1 2,-0.6 2,-0.0 -1,-0.2 0.762 103.7 66.7 -57.3 -30.6 44.5 27.1 -1.8 4 48 A I < - 0 0 0 -3,-0.8 2,-0.4 253,-0.0 253,-0.1 -0.842 69.1-160.6 -98.6 119.0 45.2 30.6 -0.3 5 49 A H - 0 0 78 -2,-0.6 253,-1.6 249,-0.3 2,-0.4 -0.830 7.9-172.6 -99.0 132.1 42.8 31.8 2.4 6 50 A I E -a 258 0A 1 -2,-0.4 2,-0.2 251,-0.2 253,-0.2 -0.970 6.7-155.6-131.5 116.5 42.8 35.6 3.1 7 51 A G E -a 259 0A 0 251,-1.5 253,-2.3 -2,-0.4 2,-0.5 -0.590 9.6-138.8 -92.6 151.4 40.9 37.1 6.0 8 52 A W E -ab 260 38A 3 29,-1.4 31,-2.7 -2,-0.2 2,-0.7 -0.932 18.2-140.6-104.9 127.3 39.5 40.6 6.4 9 53 A X E - b 0 39A 6 251,-1.8 253,-0.5 -2,-0.5 31,-0.2 -0.807 18.8-123.5 -92.4 116.5 40.0 42.2 9.8 10 54 A A - 0 0 8 29,-1.5 2,-0.3 -2,-0.7 5,-0.0 -0.314 41.0-177.0 -50.5 134.7 37.1 44.2 11.0 11 55 A T > - 0 0 5 250,-0.0 3,-1.6 30,-0.0 4,-0.2 -0.848 47.6 -98.4-133.1 169.1 38.4 47.7 11.7 12 56 A T T 3 S+ 0 0 100 -2,-0.3 3,-0.2 1,-0.3 -2,-0.1 0.551 118.4 71.9 -62.5 -2.9 37.1 50.9 13.1 13 57 A L T 3 S+ 0 0 63 1,-0.2 -1,-0.3 249,-0.2 -3,-0.0 0.146 98.3 38.8-106.8 17.2 37.0 51.7 9.4 14 58 A D S < S+ 0 0 26 -3,-1.6 2,-1.1 2,-0.1 -1,-0.2 0.116 74.7 135.3-144.4 18.2 34.0 49.6 8.3 15 59 A V + 0 0 67 -3,-0.2 2,-0.1 -4,-0.2 3,-0.1 -0.600 31.8 164.2 -66.0 100.6 31.9 50.1 11.4 16 60 A A > - 0 0 67 -2,-1.1 3,-0.8 1,-0.1 2,-0.4 -0.260 45.9 -49.5-104.4-163.7 28.5 50.7 9.7 17 61 A E T 3 S- 0 0 162 1,-0.2 -1,-0.1 -2,-0.1 5,-0.1 -0.580 115.7 -18.6 -77.1 127.4 25.0 50.6 11.1 18 62 A N T >> S+ 0 0 89 -2,-0.4 4,-1.4 1,-0.1 3,-0.7 0.801 79.4 158.7 50.6 37.7 24.0 47.6 13.2 19 63 A L T <4 + 0 0 13 -3,-0.8 7,-0.2 1,-0.3 -1,-0.1 0.822 68.7 60.8 -62.5 -31.5 26.9 45.6 11.8 20 64 A D T >4 S+ 0 0 11 1,-0.2 3,-0.6 2,-0.2 -1,-0.3 0.892 107.8 46.1 -60.3 -37.9 26.8 43.2 14.8 21 65 A R T <4 S+ 0 0 59 -3,-0.7 3,-0.3 1,-0.2 -1,-0.2 0.817 116.2 44.8 -72.4 -32.8 23.3 42.4 13.7 22 66 A H T 3X + 0 0 77 -4,-1.4 4,-1.3 1,-0.2 -1,-0.2 -0.289 61.2 132.0-114.4 47.4 24.1 41.9 10.1 23 67 A V H <> S+ 0 0 0 -3,-0.6 4,-2.8 1,-0.2 5,-0.3 0.771 71.0 67.1 -65.9 -23.1 27.3 39.8 10.1 24 68 A A H > S+ 0 0 34 -3,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.987 105.7 35.0 -59.6 -65.1 25.6 37.7 7.5 25 69 A T H > S+ 0 0 75 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.732 116.1 62.5 -63.9 -22.2 25.4 40.2 4.7 26 70 A F H X S+ 0 0 7 -4,-1.3 4,-2.9 2,-0.2 5,-0.3 0.994 108.9 35.3 -64.7 -65.2 28.8 41.5 6.0 27 71 A C H X S+ 0 0 13 -4,-2.8 4,-1.2 1,-0.2 -2,-0.2 0.730 117.1 61.7 -63.1 -20.7 30.8 38.3 5.4 28 72 A T H X S+ 0 0 78 -4,-1.6 4,-1.7 -5,-0.3 -2,-0.2 0.995 111.5 31.9 -64.3 -66.6 28.6 37.9 2.3 29 73 A R H X S+ 0 0 140 -4,-2.7 4,-1.6 1,-0.3 3,-0.2 0.919 119.4 53.3 -60.0 -46.4 29.7 41.1 0.5 30 74 A L H <>S+ 0 0 9 -4,-2.9 5,-0.8 -5,-0.3 -1,-0.3 0.891 107.8 53.6 -53.9 -38.3 33.2 40.9 1.9 31 75 A G H ><5S+ 0 0 30 -4,-1.2 3,-1.4 -5,-0.3 4,-0.3 0.869 100.3 59.5 -64.1 -37.5 33.1 37.4 0.5 32 76 A E H 3<5S+ 0 0 135 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.875 93.4 66.7 -57.2 -37.9 32.1 38.8 -2.9 33 77 A F T 3<5S- 0 0 35 -4,-1.6 -1,-0.3 -3,-0.2 245,-0.2 0.154 124.9-102.5 -74.4 21.8 35.4 40.8 -2.7 34 78 A K T < 5S+ 0 0 65 -3,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.846 85.9 116.6 60.2 41.2 37.2 37.4 -3.0 35 79 A Y < - 0 0 7 -5,-0.8 -1,-0.2 -4,-0.3 -2,-0.2 -0.964 46.5-159.5-135.6 129.8 38.2 36.9 0.6 36 80 A N + 0 0 39 -2,-0.3 -1,-0.2 -30,-0.1 -29,-0.1 0.990 61.5 27.0 -71.4 -71.9 36.8 33.9 2.5 37 81 A F - 0 0 4 -31,-0.1 -29,-1.4 40,-0.1 2,-0.3 -0.289 64.1-148.0 -92.5 176.1 37.1 34.3 6.3 38 82 A V E -bc 8 79A 2 40,-1.8 42,-1.5 -31,-0.3 2,-0.8 -0.975 18.6-132.2-143.8 155.2 37.2 37.4 8.7 39 83 A V E +b 9 0A 1 -31,-2.7 -29,-1.5 -2,-0.3 42,-0.2 -0.800 40.2 175.6-106.7 88.1 38.6 38.5 12.0 40 84 A Y - 0 0 1 -2,-0.8 42,-1.5 40,-0.4 2,-0.5 -0.717 39.4-104.3 -97.1 142.0 35.6 40.0 13.6 41 85 A P B > -d 82 0A 7 0, 0.0 3,-1.8 0, 0.0 42,-0.2 -0.522 26.7-149.6 -65.4 118.4 35.6 41.4 17.2 42 86 A I T 3 S+ 0 0 0 40,-1.3 23,-0.2 -2,-0.5 41,-0.1 0.666 93.7 58.5 -67.8 -17.4 33.8 38.7 19.3 43 87 A G T 3 S- 0 0 0 39,-0.5 21,-2.0 1,-0.2 -1,-0.3 0.633 120.7-102.2 -82.1 -12.3 32.4 41.3 21.7 44 88 A G X> - 0 0 0 -3,-1.8 4,-3.1 19,-0.2 3,-0.9 -0.025 30.7 -87.9 96.1 150.6 30.7 43.1 18.9 45 89 A V H 3> S+ 0 0 7 1,-0.3 4,-1.4 2,-0.2 -1,-0.1 0.756 125.6 57.0 -67.9 -28.1 31.8 46.3 17.2 46 90 A V H 34 S+ 0 0 101 18,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.750 117.2 37.5 -71.6 -23.1 30.1 48.6 19.6 47 91 A R H X4 S+ 0 0 6 -3,-0.9 3,-1.0 2,-0.1 -2,-0.2 0.865 113.6 52.6 -93.1 -46.2 32.1 46.9 22.4 48 92 A A H 3< S+ 0 0 1 -4,-3.1 38,-0.7 1,-0.2 -3,-0.2 0.908 114.2 41.5 -56.8 -46.1 35.4 46.4 20.7 49 93 A F T 3< S+ 0 0 56 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.1 0.302 86.1 120.8 -97.3 8.8 35.9 50.0 19.6 50 94 A W < - 0 0 36 -3,-1.0 36,-0.2 11,-0.1 -3,-0.1 -0.250 55.8-137.7 -58.8 156.9 34.6 51.6 22.8 51 95 A T - 0 0 83 1,-0.1 -2,-0.1 2,-0.0 -1,-0.0 -0.993 9.1-158.0-130.0 127.3 37.1 53.9 24.6 52 96 A P + 0 0 36 0, 0.0 2,-2.1 0, 0.0 6,-0.2 0.649 60.0 111.2 -78.6 -19.7 37.6 53.9 28.4 53 97 A N + 0 0 153 0, 0.0 2,-0.2 0, 0.0 -2,-0.0 -0.350 60.1 87.8 -62.9 82.1 39.0 57.4 28.7 54 98 A G S S- 0 0 48 -2,-2.1 0, 0.0 1,-0.3 0, 0.0 -0.803 84.5 -43.1-153.8-166.9 36.0 58.9 30.5 55 99 A S > - 0 0 84 -2,-0.2 3,-1.4 1,-0.1 -1,-0.3 0.000 66.3 -94.2 -60.2 175.8 34.6 59.5 34.0 56 100 A A T 3 S+ 0 0 110 1,-0.2 -1,-0.1 3,-0.0 0, 0.0 0.530 126.3 60.4 -69.5 -5.2 34.6 56.7 36.6 57 101 A E T 3 + 0 0 139 2,-0.1 2,-1.7 1,-0.1 -1,-0.2 0.365 69.2 111.5-105.8 2.1 31.1 55.9 35.3 58 102 A N < - 0 0 64 -3,-1.4 -4,-0.1 -6,-0.2 -1,-0.1 -0.591 53.0-174.2 -77.8 85.2 32.0 55.2 31.7 59 103 A H - 0 0 126 -2,-1.7 -2,-0.1 1,-0.1 -3,-0.0 -0.490 26.6 -98.5 -84.7 153.0 31.3 51.4 31.7 60 104 A P - 0 0 21 0, 0.0 -1,-0.1 0, 0.0 -13,-0.1 -0.442 40.5-102.1 -73.1 139.0 32.0 49.0 28.8 61 105 A P - 0 0 32 0, 0.0 3,-0.1 0, 0.0 2,-0.1 -0.240 41.0-108.8 -53.5 142.2 29.3 48.0 26.3 62 106 A V - 0 0 104 1,-0.1 -16,-0.1 2,-0.0 2,-0.1 -0.381 45.0 -84.1 -69.0 152.5 27.8 44.5 26.9 63 107 A I + 0 0 13 1,-0.1 -19,-0.2 -2,-0.1 -1,-0.1 -0.369 53.2 171.1 -55.5 132.5 28.7 41.8 24.4 64 108 A D + 0 0 52 -21,-2.0 -19,-0.2 -3,-0.1 -18,-0.2 -0.382 31.1 117.8-150.1 64.1 26.3 42.0 21.5 65 109 A L - 0 0 0 -23,-0.2 -21,-0.1 -21,-0.1 -44,-0.1 -0.686 54.5-151.6-125.5 76.5 27.3 39.7 18.6 66 110 A P - 0 0 0 0, 0.0 3,-0.1 0, 0.0 321,-0.1 -0.141 9.1-153.4 -55.3 141.1 24.2 37.4 18.5 67 111 A D S > S+ 0 0 0 1,-0.2 3,-1.4 2,-0.1 8,-0.1 0.784 84.0 71.3 -85.6 -33.4 24.8 33.9 17.2 68 112 A V T 3 S+ 0 0 43 1,-0.3 -1,-0.2 3,-0.1 319,-0.0 0.778 79.2 77.9 -57.8 -29.3 21.3 33.1 15.8 69 113 A Q T 3 S+ 0 0 22 -3,-0.1 -1,-0.3 1,-0.1 2,-0.3 0.415 105.7 29.5 -62.0 4.2 21.8 35.6 12.9 70 114 A L S < S- 0 0 22 -3,-1.4 -1,-0.1 -47,-0.1 5,-0.1 -0.911 93.5 -98.9-168.2 132.5 23.9 32.8 11.3 71 115 A R >> - 0 0 171 -2,-0.3 3,-2.1 1,-0.1 4,-1.3 -0.311 39.2-118.9 -61.7 137.6 24.0 29.0 11.3 72 116 A N H 3> S+ 0 0 9 1,-0.3 4,-2.7 2,-0.2 5,-0.1 0.748 110.0 60.7 -53.1 -33.5 26.7 27.7 13.7 73 117 A D H 3> S+ 0 0 83 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.840 105.7 50.9 -64.6 -29.6 28.8 26.0 11.0 74 118 A L H <>>S+ 0 0 33 -3,-2.1 4,-2.5 2,-0.2 5,-0.6 0.937 107.3 50.2 -72.8 -49.6 29.2 29.3 9.3 75 119 A W H <5S+ 0 0 0 -4,-1.3 4,-0.5 1,-0.2 42,-0.3 0.962 113.0 50.7 -45.3 -53.2 30.4 31.1 12.5 76 120 A E H <5S+ 0 0 73 -4,-2.7 41,-0.5 1,-0.2 -2,-0.2 0.847 117.4 36.5 -58.7 -39.7 32.8 28.1 12.8 77 121 A S H <5S+ 0 0 75 -4,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.966 128.1 23.5 -79.0 -55.2 34.2 28.4 9.3 78 122 A Y T <5S+ 0 0 95 -4,-2.5 -40,-1.8 -5,-0.1 -3,-0.2 0.970 101.8 74.8 -81.1 -59.9 34.3 32.1 8.5 79 123 A V B < -c 38 0A 2 -5,-0.6 39,-0.5 -4,-0.5 2,-0.4 -0.281 50.3-171.2 -68.9 139.3 34.5 34.2 11.7 80 124 A V - 0 0 1 -42,-1.5 2,-0.4 37,-0.1 -40,-0.4 -0.964 23.6-131.9-129.6 114.1 37.7 34.5 13.8 81 125 A G E - e 0 119A 0 37,-1.3 39,-2.0 -2,-0.4 2,-0.4 -0.517 19.2-167.9 -81.1 121.9 37.2 36.2 17.1 82 126 A K E -de 41 120A 18 -42,-1.5 -40,-1.3 -2,-0.4 -39,-0.5 -0.828 27.3-112.8-102.6 142.5 39.6 39.0 18.3 83 127 A I - 0 0 12 37,-1.4 39,-0.3 -2,-0.4 21,-0.1 -0.490 46.6 -85.9 -73.4 139.0 39.5 40.3 21.9 84 128 A S > - 0 0 1 -2,-0.2 3,-2.0 1,-0.1 -1,-0.1 -0.187 35.6-134.0 -48.8 125.1 38.4 43.9 22.4 85 129 A P T 3 S+ 0 0 57 0, 0.0 -1,-0.1 0, 0.0 -36,-0.1 0.769 100.2 64.5 -54.1 -35.0 41.4 46.2 21.9 86 130 A W T 3 S+ 0 0 22 -38,-0.7 2,-0.2 -36,-0.2 -2,-0.1 0.643 78.5 106.6 -67.7 -15.4 40.7 48.3 25.0 87 131 A I < + 0 0 19 -3,-2.0 2,-0.1 -39,-0.1 3,-0.1 -0.444 37.9 161.5 -67.4 131.5 41.3 45.2 27.2 88 132 A D > + 0 0 18 8,-0.3 3,-2.2 -2,-0.2 12,-0.2 -0.537 19.2 177.9-156.6 83.8 44.6 45.4 29.1 89 133 A C T 3 S+ 0 0 1 1,-0.3 12,-0.1 11,-0.2 -1,-0.1 0.734 89.0 57.6 -60.0 -21.3 45.1 43.2 32.1 90 134 A D T 3 S+ 0 0 24 -3,-0.1 -1,-0.3 6,-0.1 7,-0.1 -0.012 76.8 142.1-102.1 29.9 48.5 44.7 32.4 91 135 A S < - 0 0 24 -3,-2.2 6,-0.1 2,-0.2 7,-0.0 -0.310 60.1-126.3 -57.9 152.1 47.3 48.3 32.6 92 136 A S S S+ 0 0 113 1,-0.1 -1,-0.1 4,-0.0 3,-0.1 0.526 96.0 80.6 -79.2 -8.7 49.4 50.4 35.0 93 137 A D S >> S- 0 0 85 1,-0.2 4,-2.3 2,-0.0 3,-0.6 -0.901 77.0-148.6-102.5 109.2 46.1 51.3 36.8 94 138 A P H 3> S+ 0 0 92 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.833 94.4 49.9 -48.2 -43.3 45.2 48.4 39.1 95 139 A A H 3> S+ 0 0 64 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.880 111.1 46.6 -67.9 -42.3 41.5 48.9 38.7 96 140 A F H <> S+ 0 0 39 -3,-0.6 4,-2.5 2,-0.2 -8,-0.3 0.836 110.8 55.1 -68.0 -31.4 41.5 49.0 35.0 97 141 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.946 109.6 45.5 -64.5 -49.7 43.7 45.9 35.0 98 142 A S H X S+ 0 0 64 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.936 112.0 51.4 -55.0 -51.7 41.1 44.1 37.2 99 143 A L H X S+ 0 0 50 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.923 109.4 52.3 -50.7 -47.1 38.4 45.3 34.9 100 144 A S H X S+ 0 0 0 -4,-2.5 4,-2.7 -12,-0.2 -1,-0.2 0.908 107.7 50.2 -57.4 -47.5 40.4 44.0 32.0 101 145 A E H X S+ 0 0 54 -4,-2.4 4,-2.7 2,-0.2 3,-0.4 0.992 111.5 48.3 -53.4 -65.2 40.8 40.6 33.6 102 146 A E H X S+ 0 0 106 -4,-2.3 4,-2.2 1,-0.3 -2,-0.2 0.874 116.2 42.9 -39.4 -54.5 37.0 40.3 34.2 103 147 A H H X S+ 0 0 13 -4,-2.7 4,-2.6 2,-0.2 -1,-0.3 0.863 108.0 57.5 -70.5 -34.0 36.1 41.3 30.7 104 148 A L H X S+ 0 0 2 -4,-2.7 4,-2.2 -3,-0.4 -1,-0.2 0.951 107.5 51.2 -57.0 -49.2 38.8 39.2 29.0 105 149 A L H X S+ 0 0 73 -4,-2.7 4,-2.8 -5,-0.2 5,-0.3 0.953 107.8 51.6 -49.1 -54.3 37.1 36.3 30.7 106 150 A K H X S+ 0 0 99 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.907 111.0 47.6 -52.2 -44.8 33.7 37.4 29.4 107 151 A E H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.846 111.7 50.7 -66.9 -33.6 35.0 37.5 25.9 108 152 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 -3,-0.3 -2,-0.2 0.961 108.9 50.2 -67.5 -52.0 36.7 34.1 26.2 109 153 A S H X S+ 0 0 34 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.859 112.2 50.0 -51.6 -38.8 33.5 32.5 27.5 110 154 A Y H X S+ 0 0 0 -4,-1.9 4,-2.7 -5,-0.3 5,-0.3 0.884 103.2 57.0 -72.0 -37.5 31.7 34.1 24.5 111 155 A I H <>S+ 0 0 0 -4,-2.0 5,-1.7 1,-0.2 4,-0.5 0.917 110.7 47.1 -57.4 -39.8 34.3 32.8 22.0 112 156 A C H ><5S+ 0 0 17 -4,-2.2 3,-1.2 3,-0.2 190,-0.3 0.958 109.7 53.3 -63.8 -50.1 33.4 29.4 23.5 113 157 A Y H 3<5S+ 0 0 1 -4,-2.4 189,-3.0 1,-0.3 190,-0.4 0.928 108.9 46.0 -51.7 -56.3 29.6 30.1 23.2 114 158 A L T 3<5S- 0 0 0 -4,-2.7 -1,-0.3 187,-0.2 -2,-0.2 0.673 109.4-131.8 -60.2 -13.2 29.7 31.1 19.5 115 159 A G T < 5 - 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0 0 0 1,-0.2 4,-1.9 24,-0.1 5,-0.1 -0.423 64.9-153.4 -54.9 112.8 24.1 31.7 30.9 382 453 A P H > S+ 0 0 59 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.888 92.0 53.5 -63.4 -41.6 24.9 35.3 29.9 383 454 A N H > S+ 0 0 8 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.949 106.3 53.2 -55.2 -50.0 25.8 34.4 26.3 384 455 A A H >> S+ 0 0 0 1,-0.3 4,-2.3 2,-0.2 3,-0.6 0.917 105.4 55.3 -50.4 -44.8 22.4 32.7 26.0 385 456 A I H 3X S+ 0 0 2 -4,-1.9 4,-2.2 1,-0.3 5,-0.3 0.919 99.9 59.1 -54.4 -45.4 20.9 36.0 27.2 386 457 A V H 3X S+ 0 0 10 -4,-2.1 4,-1.0 1,-0.2 -1,-0.3 0.869 110.6 42.9 -51.9 -37.6 22.7 37.7 24.4 387 458 A T H S+ 0 0 26 -4,-2.6 5,-1.7 1,-0.2 4,-1.3 0.976 109.3 53.9 -57.4 -55.4 15.2 36.7 19.6 392 463 A N H <5S+ 0 0 21 -4,-2.5 6,-2.2 3,-0.2 7,-0.4 0.874 114.8 42.5 -46.0 -45.7 12.9 38.8 21.8 393 464 A V H X5S+ 0 0 52 -4,-2.4 4,-0.9 4,-0.2 -2,-0.2 0.999 121.3 33.6 -65.6 -68.0 13.4 41.7 19.4 394 465 A R H <5S+ 0 0 142 -4,-2.6 -3,-0.2 1,-0.1 -2,-0.1 0.956 134.4 14.4 -59.0 -63.9 13.2 40.0 15.9 395 466 A T T <5S+ 0 0 71 -4,-1.3 -3,-0.2 -5,-0.3 -1,-0.1 0.876 127.8 45.9 -84.0 -41.5 10.7 37.2 16.3 396 467 A W T >4 - 0 0 41 -2,-0.3 3,-1.8 1,-0.1 4,-0.3 -0.866 43.5-132.6 -84.3 120.9 19.5 31.6 38.4 407 478 A X G > S+ 0 0 4 -2,-0.7 3,-2.0 1,-0.3 -1,-0.1 0.777 102.3 74.6 -47.5 -33.0 15.8 30.8 38.8 408 479 A R G 3 S+ 0 0 81 1,-0.3 -1,-0.3 2,-0.1 35,-0.0 0.361 98.5 49.8 -63.4 9.9 16.6 29.7 42.4 409 480 A S G X> S+ 0 0 59 -3,-1.8 3,-2.3 2,-0.1 4,-1.3 0.474 78.3 93.7-125.7 -11.3 16.8 33.4 43.0 410 481 A L H <> S+ 0 0 1 -3,-2.0 4,-2.0 -4,-0.3 5,-0.2 0.895 72.3 73.5 -48.1 -45.0 13.6 34.7 41.5 411 482 A P H 34 S+ 0 0 52 0, 0.0 4,-0.3 0, 0.0 -1,-0.3 0.699 106.1 38.4 -47.5 -20.3 11.9 34.5 44.9 412 483 A G H <> S+ 0 0 55 -3,-2.3 4,-0.7 2,-0.1 -2,-0.2 0.865 120.6 38.6 -95.2 -48.7 13.9 37.5 45.8 413 484 A I H X S+ 0 0 22 -4,-1.3 4,-1.4 1,-0.2 -3,-0.1 0.385 102.2 78.5 -87.1 4.1 14.0 39.7 42.7 414 485 A A H <>S+ 0 0 1 -4,-2.0 5,-3.5 -5,-0.2 4,-0.2 0.986 99.5 31.1 -76.0 -65.0 10.4 39.0 41.8 415 486 A K H 45S+ 0 0 147 -4,-0.3 3,-0.4 3,-0.2 -2,-0.1 0.828 120.5 57.3 -65.7 -31.3 8.3 41.1 44.1 416 487 A D H <5S+ 0 0 124 -4,-0.7 -2,-0.2 1,-0.2 -1,-0.2 0.989 112.3 36.3 -61.0 -63.3 11.1 43.7 44.0 417 488 A R T <5S- 0 0 139 -4,-1.4 -1,-0.2 1,-0.1 -2,-0.2 0.349 121.6-109.9 -75.2 8.3 11.2 44.2 40.2 418 489 A G T 5 + 0 0 59 -3,-0.4 2,-0.4 -4,-0.2 -3,-0.2 0.896 60.5 157.2 68.6 44.9 7.4 43.8 40.3 419 490 A F < - 0 0 24 -5,-3.5 -1,-0.2 -6,-0.1 2,-0.2 -0.869 35.3-131.3 -98.2 134.4 6.9 40.5 38.6 420 491 A E - 0 0 91 -2,-0.4 29,-0.0 1,-0.1 -5,-0.0 -0.527 32.0 -86.4 -86.5 152.3 3.6 38.7 39.4 421 492 A Q - 0 0 64 -2,-0.2 -83,-0.2 1,-0.1 29,-0.2 -0.163 49.0-118.1 -52.9 145.6 3.4 35.0 40.5 422 493 A P - 0 0 0 0, 0.0 29,-0.9 0, 0.0 32,-0.2 -0.477 14.2-157.6 -87.9 158.3 3.1 32.5 37.6 423 494 A D S S+ 0 0 21 -85,-2.9 32,-2.1 1,-0.3 2,-0.4 0.706 88.4 27.3 -99.1 -33.1 0.3 30.2 36.7 424 495 A I E -rt 339 455C 2 -86,-1.8 -84,-2.3 30,-0.2 2,-0.5 -0.990 63.1-167.8-131.2 128.2 2.6 27.9 34.8 425 496 A I E -rt 340 456C 3 30,-1.0 32,-3.0 -2,-0.4 2,-0.5 -0.963 13.8-165.2-108.1 131.1 6.3 27.3 35.2 426 497 A V E +rt 341 457C 1 -86,-3.5 -84,-3.9 -2,-0.5 2,-0.3 -0.967 14.0 165.1-121.9 124.8 7.9 25.4 32.3 427 498 A S E -r 342 0C 0 30,-2.2 2,-0.1 -2,-0.5 -84,-0.1 -0.962 27.4-165.4-139.0 153.5 11.3 23.8 32.5 428 499 A E + 0 0 4 -86,-0.6 2,-0.4 -2,-0.3 -2,-0.0 -0.603 36.2 139.8-137.2 73.3 13.4 21.3 30.5 429 500 A L + 0 0 3 -2,-0.1 10,-0.5 2,-0.0 2,-0.4 -0.553 29.3 145.4-114.8 64.7 16.3 20.4 32.8 430 501 A L - 0 0 2 -2,-0.4 5,-0.2 6,-0.1 2,-0.2 -0.874 32.5-162.6-115.8 134.0 16.6 16.7 32.2 431 502 A G B > -U 434 0D 0 3,-2.6 3,-1.9 -2,-0.4 171,-0.1 -0.497 44.1-100.8 -91.6 173.2 19.5 14.3 32.1 432 503 A S T 3 S+ 0 0 7 1,-0.3 170,-0.3 -2,-0.2 155,-0.1 0.821 131.1 50.3 -62.8 -29.4 19.4 10.8 30.6 433 504 A F T 3 S- 0 0 0 1,-0.2 2,-1.5 168,-0.1 -1,-0.3 0.056 115.5-126.5 -94.2 23.1 19.0 9.6 34.2 434 505 A G B X S+U 431 0D 0 -3,-1.9 -3,-2.6 1,-0.2 3,-0.6 -0.527 96.0 32.7 75.8 -88.0 16.3 12.2 34.6 435 506 A D G > S+ 0 0 1 -2,-1.5 3,-1.0 1,-0.2 -1,-0.2 0.199 87.4 103.8 -89.2 14.9 17.3 14.2 37.7 436 507 A N G 3 S+ 0 0 1 1,-0.3 -1,-0.2 2,-0.1 -6,-0.1 0.604 73.7 61.5 -74.4 -11.3 21.0 13.8 37.0 437 508 A E G < S- 0 0 16 -3,-0.6 -1,-0.3 -8,-0.3 -141,-0.2 -0.130 120.2-103.2-103.5 32.1 21.2 17.4 35.7 438 509 A L S X> S+ 0 0 0 -3,-1.0 4,-2.1 1,-0.1 3,-0.7 0.551 71.7 146.5 65.4 11.2 20.1 18.9 39.1 439 510 A S H 3> + 0 0 2 -10,-0.5 4,-2.6 -5,-0.2 5,-0.5 0.904 65.3 55.4 -44.6 -58.6 16.4 19.6 38.0 440 511 A P H 3> S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.845 111.7 43.9 -49.1 -41.3 14.8 19.0 41.3 441 512 A E H <> S+ 0 0 15 -3,-0.7 4,-1.3 2,-0.2 -2,-0.2 0.894 114.1 51.1 -71.1 -40.0 17.0 21.6 43.1 442 513 A C H >< S+ 0 0 0 -4,-2.1 3,-0.8 2,-0.2 4,-0.4 0.982 117.1 36.9 -57.0 -61.9 16.6 24.1 40.3 443 514 A L H >< S+ 0 0 2 -4,-2.6 3,-1.6 1,-0.3 4,-0.4 0.858 112.0 60.2 -62.9 -38.0 12.8 23.9 40.2 444 515 A D H >< S+ 0 0 26 -4,-2.1 3,-1.0 -5,-0.5 4,-0.3 0.804 96.1 64.0 -59.3 -28.8 12.6 23.6 44.0 445 516 A G T << S+ 0 0 22 -4,-1.3 3,-0.3 -3,-0.8 -1,-0.3 0.757 100.2 52.5 -63.7 -22.6 14.4 26.9 44.1 446 517 A V T X S+ 0 0 1 -3,-1.6 3,-1.0 -4,-0.4 4,-0.2 0.489 81.5 92.0 -96.1 -4.2 11.3 28.5 42.5 447 518 A T G X + 0 0 27 -3,-1.0 3,-1.1 -4,-0.4 -1,-0.2 0.779 68.6 72.8 -67.0 -30.3 8.6 27.3 44.8 448 519 A G G 3 S+ 0 0 68 -3,-0.3 -1,-0.2 -4,-0.3 -2,-0.1 0.387 103.5 40.2 -67.5 6.4 8.5 30.2 47.3 449 520 A F G < S+ 0 0 10 -3,-1.0 -1,-0.2 2,-0.1 2,-0.2 0.366 91.9 94.1-139.6 -0.3 6.9 32.5 44.7 450 521 A L S < S- 0 0 14 -3,-1.1 -27,-0.1 -4,-0.2 -29,-0.1 -0.524 73.7-109.9 -89.9 162.3 4.2 30.5 42.9 451 522 A K > - 0 0 63 -29,-0.9 3,-0.7 -2,-0.2 -2,-0.1 -0.532 26.3-116.4 -79.6 156.5 0.5 30.2 43.7 452 523 A P T 3 S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 95,-0.1 0.768 123.1 61.2 -57.4 -24.2 -0.9 26.9 45.1 453 524 A T T 3 S+ 0 0 79 -31,-0.1 -30,-0.1 2,-0.1 -3,-0.0 0.840 77.1 115.1 -66.1 -36.4 -2.7 27.2 41.8 454 525 A T < - 0 0 2 -3,-0.7 2,-0.5 -32,-0.2 -30,-0.2 -0.116 54.9-154.3 -50.8 113.6 0.5 27.1 39.8 455 526 A I E -t 424 0C 30 -32,-2.1 -30,-1.0 -130,-0.0 2,-0.4 -0.799 13.9-148.8 -87.8 126.6 0.6 24.0 37.6 456 527 A S E -t 425 0C 1 -2,-0.5 88,-0.2 88,-0.4 -30,-0.2 -0.820 8.7-124.4-102.3 135.2 4.2 23.1 36.9 457 528 A I E S+t 426 0C 0 -32,-3.0 -30,-2.2 -2,-0.4 2,-0.2 -0.994 97.6 41.3-124.1 132.7 5.5 21.4 33.7 458 529 A P S S- 0 0 1 0, 0.0 121,-0.3 0, 0.0 122,-0.2 0.522 77.8-174.7 -62.5 157.0 7.0 19.0 33.7 459 530 A Q + 0 0 43 119,-2.3 85,-3.4 1,-0.3 2,-0.3 0.888 64.5 0.3 -84.5 -50.0 4.7 17.6 36.4 460 531 A K E +KL 543 578B 77 118,-1.9 118,-1.4 83,-0.2 -1,-0.3 -0.959 57.8 178.6-142.3 149.1 6.5 14.3 37.0 461 532 A Y E -KL 542 577B 0 81,-2.0 81,-2.3 -2,-0.3 2,-0.4 -0.978 10.5-157.5-150.1 156.9 9.5 12.4 35.8 462 533 A T E -KL 541 576B 3 114,-2.6 114,-2.0 -2,-0.3 2,-0.5 -0.995 12.5-137.3-147.5 134.8 11.1 9.1 36.8 463 534 A S E -KL 540 575B 0 77,-2.3 76,-3.4 -2,-0.4 77,-1.4 -0.786 27.0-174.6 -94.0 120.5 14.5 7.5 36.5 464 535 A Y E -KL 538 574B 39 110,-1.5 110,-1.9 -2,-0.5 2,-0.3 -0.541 3.7-163.6-111.1 177.4 14.6 3.8 35.4 465 536 A V E -KL 537 573B 0 72,-1.6 72,-1.9 108,-0.3 108,-0.2 -0.995 9.5-172.0-161.9 155.4 17.3 1.2 35.1 466 537 A K E - L 0 572B 14 106,-1.5 106,-2.6 -2,-0.3 70,-0.1 -0.889 30.3-112.7-161.3 125.7 18.2 -2.2 33.6 467 538 A P E - L 0 571B 0 0, 0.0 65,-2.3 0, 0.0 66,-0.9 -0.310 40.7-176.4 -59.2 131.3 21.2 -4.6 33.9 468 539 A I E -ML 531 570B 0 102,-2.8 101,-1.5 63,-0.2 102,-0.9 -0.881 21.0-143.9-131.2 165.1 23.3 -5.0 30.8 469 540 A X E +M 530 0B 0 61,-2.4 61,-1.0 -2,-0.3 2,-0.2 -0.990 33.8 138.3-129.9 123.9 26.3 -6.9 29.5 470 541 A S > - 0 0 0 -2,-0.4 4,-1.8 59,-0.2 5,-0.2 -0.718 31.3-166.6-163.7 112.6 29.0 -5.5 27.2 471 542 A T H > S+ 0 0 3 411,-2.0 4,-2.4 -2,-0.2 383,-0.2 0.774 95.3 57.9 -68.8 -22.1 32.7 -6.1 27.5 472 543 A H H > S+ 0 0 56 56,-0.5 4,-1.8 410,-0.2 -1,-0.2 0.937 106.5 42.8 -73.7 -48.3 33.1 -3.2 25.0 473 544 A I H > S+ 0 0 2 55,-0.2 4,-2.7 2,-0.2 5,-0.2 0.931 120.5 44.3 -63.6 -43.4 31.3 -0.5 27.0 474 545 A H H X S+ 0 0 6 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.975 113.9 47.2 -64.6 -55.0 33.1 -1.7 30.2 475 546 A Q H X S+ 0 0 16 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.800 114.7 50.7 -56.8 -29.4 36.5 -2.0 28.6 476 547 A T H < S+ 0 0 53 -4,-1.8 4,-0.4 2,-0.2 -1,-0.2 0.926 109.3 47.1 -76.3 -47.5 36.0 1.4 27.0 477 548 A I H >< S+ 0 0 0 -4,-2.7 3,-0.9 1,-0.2 -2,-0.2 0.905 112.8 52.2 -56.7 -42.6 35.0 3.2 30.2 478 549 A K H 3< S+ 0 0 37 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.864 105.0 53.3 -63.4 -38.9 38.0 1.6 32.1 479 550 A A T 3< S+ 0 0 28 -4,-1.2 660,-0.7 -5,-0.2 -1,-0.2 0.360 70.4 132.6 -90.1 4.9 40.7 2.6 29.6 480 551 A Q < - 0 0 74 -3,-0.9 2,-0.3 -4,-0.4 37,-0.1 -0.368 36.1-174.4 -53.8 128.6 40.0 6.4 29.4 481 552 A S - 0 0 53 -2,-0.1 -2,-0.0 36,-0.0 -1,-0.0 -0.893 24.1-126.5-130.4 157.7 43.3 8.2 29.8 482 553 A I - 0 0 73 -2,-0.3 655,-0.1 655,-0.2 5,-0.1 -0.853 22.1-150.9-114.2 102.7 44.4 11.9 30.1 483 554 A P > - 0 0 58 0, 0.0 3,-2.9 0, 0.0 4,-0.5 -0.172 35.0 -97.9 -60.2 153.8 47.1 13.1 27.7 484 555 A Y G > S+ 0 0 36 650,-0.5 3,-2.0 1,-0.3 4,-0.2 0.855 124.5 56.0 -40.5 -51.9 49.5 15.9 28.6 485 556 A L G 3 S+ 0 0 29 1,-0.3 -1,-0.3 649,-0.2 3,-0.3 0.748 111.5 45.2 -58.3 -21.0 47.4 18.6 26.9 486 557 A S G X S+ 0 0 21 -3,-2.9 3,-2.0 1,-0.2 -1,-0.3 0.412 77.9 112.6-102.2 6.0 44.5 17.5 29.0 487 558 A R T < S+ 0 0 44 -3,-2.0 20,-2.6 -4,-0.5 -1,-0.2 0.594 82.6 38.3 -59.1 -16.7 46.3 17.3 32.4 488 559 A A T 3 S+ 0 0 0 -348,-0.4 -1,-0.3 18,-0.3 18,-0.2 0.306 76.0 129.5-121.1 7.4 44.5 20.2 34.0 489 560 A I S < S- 0 0 31 -3,-2.0 -348,-0.1 18,-0.1 -347,-0.1 -0.534 71.8-100.1 -62.6 128.1 41.0 19.7 32.7 490 561 A P - 0 0 47 0, 0.0 6,-0.1 0, 0.0 -1,-0.1 -0.113 35.8-115.8 -51.7 142.0 38.7 19.9 35.8 491 562 A S - 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