==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER 5'-3' EXO/ENDO NUCLEASE 20-MAR-98 1A76 . COMPND 2 MOLECULE: FLAP ENDONUCLEASE-1 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR K.Y.HWANG,K.BAEK,H.KIM,Y.CHO . 315 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16984.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 200 63.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 18 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 109 34.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.9 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 1 0 0 3 1 2 2 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 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 PARALLEL BRIDGES PER LADDER . 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 2 A G 0 0 46 0, 0.0 2,-0.4 0, 0.0 171,-0.0 0.000 360.0 360.0 360.0-157.3 17.6 10.1 1.1 2 3 A V - 0 0 4 1,-0.1 2,-2.5 3,-0.0 3,-0.4 -0.612 360.0-124.3 -77.9 130.1 15.9 10.0 -2.3 3 4 A Q + 0 0 132 -2,-0.4 3,-0.2 1,-0.2 231,-0.2 -0.337 61.2 137.5 -73.5 62.3 14.6 13.4 -3.4 4 5 A F >> + 0 0 0 -2,-2.5 3,-3.5 1,-0.2 4,-0.8 0.795 37.4 104.6 -76.0 -30.7 10.9 12.3 -3.9 5 6 A G G >4 S+ 0 0 20 -3,-0.4 3,-1.1 1,-0.3 -1,-0.2 0.644 80.9 37.5 -12.1 -80.3 9.6 15.4 -2.3 6 7 A D G 34 S+ 0 0 145 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.546 120.2 51.3 -61.9 -9.2 8.3 17.5 -5.2 7 8 A F G <4 S+ 0 0 73 -3,-3.5 -1,-0.2 -4,-0.1 -2,-0.2 0.551 96.6 63.8-112.4 -6.6 7.1 14.4 -7.0 8 9 A I S << S- 0 0 8 -3,-1.1 194,-0.1 -4,-0.8 2,-0.1 -0.887 83.1-102.3-121.6 150.7 4.9 12.4 -4.7 9 10 A P + 0 0 26 0, 0.0 2,-0.3 0, 0.0 189,-0.2 -0.394 50.4 155.1 -66.2 142.9 1.6 13.1 -3.0 10 11 A K - 0 0 50 187,-0.1 2,-0.4 -2,-0.1 187,-0.2 -0.969 25.3-145.2-160.2 161.5 1.8 14.1 0.7 11 12 A N E -A 196 0A 90 185,-2.5 185,-3.3 -2,-0.3 2,-0.2 -0.997 20.1-116.4-141.6 144.5 -0.2 16.1 3.2 12 13 A I E -A 195 0A 124 -2,-0.4 2,-0.4 183,-0.2 183,-0.3 -0.515 35.3-166.0 -71.4 138.7 0.4 18.4 6.1 13 14 A I - 0 0 22 181,-2.2 2,-0.1 -2,-0.2 5,-0.0 -0.989 16.4-122.9-129.0 140.4 -1.0 16.9 9.3 14 15 A S - 0 0 42 -2,-0.4 4,-0.3 1,-0.1 3,-0.2 -0.419 22.4-118.2 -78.8 159.6 -1.6 18.6 12.6 15 16 A F S > S+ 0 0 41 1,-0.2 3,-1.0 2,-0.2 4,-0.3 0.845 115.0 60.3 -62.4 -31.1 0.0 17.4 15.8 16 17 A E G > S+ 0 0 132 1,-0.3 3,-1.7 2,-0.2 -1,-0.2 0.910 99.6 51.3 -63.6 -44.4 -3.5 16.9 17.1 17 18 A D G 3 S+ 0 0 93 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.2 0.492 105.4 59.2 -73.7 -0.4 -4.5 14.4 14.4 18 19 A L G X S+ 0 0 4 -3,-1.0 3,-1.6 -4,-0.3 -1,-0.3 0.448 80.2 124.3-101.3 -7.4 -1.3 12.5 15.3 19 20 A K T < S+ 0 0 115 -3,-1.7 52,-0.2 -4,-0.3 53,-0.2 -0.280 72.7 15.9 -58.7 135.0 -2.6 12.1 18.9 20 21 A G T 3 S+ 0 0 39 50,-0.6 -1,-0.2 51,-0.6 2,-0.2 0.462 94.1 131.9 83.1 1.6 -2.8 8.5 20.2 21 22 A K < - 0 0 74 -3,-1.6 52,-2.0 144,-0.0 2,-0.4 -0.563 51.5-137.1 -90.3 151.4 -0.6 7.0 17.5 22 23 A K E -b 73 0A 107 -2,-0.2 144,-2.5 50,-0.2 145,-0.8 -0.842 27.7-173.3-100.7 141.7 2.3 4.6 17.9 23 24 A V E -bc 74 167A 4 50,-2.3 52,-1.9 -2,-0.4 2,-0.6 -0.991 26.0-138.2-139.5 148.9 5.4 5.4 15.8 24 25 A A E -bc 75 168A 0 143,-2.6 145,-2.7 -2,-0.3 2,-0.5 -0.923 28.6-145.1-102.9 119.0 8.8 3.8 15.0 25 26 A I E -bc 76 169A 3 50,-3.0 52,-2.5 -2,-0.6 2,-1.4 -0.750 12.8-128.7 -90.2 128.1 11.4 6.5 15.0 26 27 A D E > -b 77 0A 11 143,-2.7 4,-2.3 -2,-0.5 5,-0.2 -0.612 30.0-162.5 -72.2 97.5 14.3 6.2 12.6 27 28 A G H > S+ 0 0 0 50,-2.4 4,-2.6 -2,-1.4 -1,-0.2 0.881 79.6 43.1 -51.2 -55.1 17.0 6.7 15.3 28 29 A M H > S+ 0 0 13 49,-0.5 4,-2.3 1,-0.2 5,-0.3 0.885 113.9 52.6 -65.2 -36.9 20.1 7.6 13.2 29 30 A N H > S+ 0 0 24 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.922 111.7 47.3 -62.6 -41.7 18.0 9.9 11.0 30 31 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.912 111.0 50.7 -63.8 -46.6 16.7 11.6 14.2 31 32 A L H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.890 110.6 47.4 -59.6 -45.5 20.2 11.9 15.7 32 33 A Y H X S+ 0 0 112 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.908 111.4 53.7 -63.3 -40.5 21.8 13.5 12.6 33 34 A Q H X S+ 0 0 41 -4,-1.9 4,-2.1 -5,-0.3 5,-0.3 0.899 108.4 47.9 -59.9 -44.5 18.8 15.8 12.5 34 35 A F H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.887 109.3 55.0 -63.3 -41.2 19.3 17.0 16.1 35 36 A L H < S+ 0 0 8 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.851 114.3 38.6 -62.6 -37.9 23.0 17.5 15.5 36 37 A T H < S+ 0 0 89 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.782 127.3 31.7 -87.4 -24.4 22.3 19.8 12.6 37 38 A S H < S+ 0 0 55 -4,-2.1 2,-1.1 -5,-0.2 -2,-0.2 0.666 103.0 72.8-105.9 -19.9 19.3 21.8 14.0 38 39 A I S < S+ 0 0 34 -4,-2.7 8,-0.9 -5,-0.3 2,-0.3 -0.765 73.7 126.4 -98.2 91.1 19.9 21.8 17.7 39 40 A R B -G 45 0B 85 -2,-1.1 -3,-0.1 6,-0.2 -4,-0.0 -0.827 59.1 -84.4-138.9 176.1 22.7 24.3 18.1 40 41 A L > - 0 0 89 4,-4.2 3,-2.0 -2,-0.3 -1,-0.1 -0.098 55.9 -87.3 -73.9 178.3 23.8 27.5 19.8 41 42 A R T 3 S+ 0 0 247 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.861 130.0 50.1 -55.1 -38.1 22.9 31.1 18.6 42 43 A D T 3 S- 0 0 124 2,-0.1 -1,-0.3 3,-0.1 -2,-0.1 0.224 123.7-101.2 -87.8 13.5 26.0 31.0 16.4 43 44 A G S < S+ 0 0 42 -3,-2.0 -2,-0.1 1,-0.3 3,-0.1 0.644 78.6 140.0 77.7 12.6 25.2 27.7 14.8 44 45 A S - 0 0 34 1,-0.1 -4,-4.2 3,-0.0 -1,-0.3 -0.677 59.9-100.2 -88.4 143.4 27.7 25.9 17.0 45 46 A P B -G 39 0B 8 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.178 41.5 -96.9 -60.5 156.3 26.7 22.5 18.3 46 47 A L + 0 0 34 -8,-0.9 8,-2.4 -11,-0.1 9,-1.1 -0.574 53.1 177.5 -72.2 135.8 25.4 22.2 21.9 47 48 A R B -H 53 0C 109 6,-0.3 6,-0.2 -2,-0.3 2,-0.1 -0.980 25.6-126.5-141.8 155.0 28.2 21.2 24.2 48 49 A N > - 0 0 10 4,-2.3 3,-2.2 -2,-0.3 246,-0.1 -0.261 49.7 -83.0 -87.4-178.1 28.8 20.5 27.9 49 50 A R T 3 S+ 0 0 215 1,-0.3 244,-0.1 2,-0.1 -1,-0.1 0.549 129.0 57.9 -65.4 -7.6 31.5 22.1 30.0 50 51 A K T 3 S- 0 0 166 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.312 119.5-108.8-101.9 3.6 34.0 19.5 28.8 51 52 A G S < S+ 0 0 37 -3,-2.2 2,-0.3 1,-0.3 -2,-0.1 0.568 71.6 142.5 81.4 9.3 33.4 20.5 25.2 52 53 A E - 0 0 119 1,-0.1 -4,-2.3 2,-0.0 2,-0.4 -0.642 58.2-106.4 -85.3 140.4 31.6 17.3 24.3 53 54 A I B +H 47 0C 13 -2,-0.3 -6,-0.3 -6,-0.2 4,-0.1 -0.506 38.5 172.0 -71.8 124.1 28.6 17.6 22.0 54 55 A T > + 0 0 4 -8,-2.4 4,-2.1 -2,-0.4 3,-0.2 0.316 45.9 109.8-112.0 2.9 25.2 17.2 23.7 55 56 A S H > S+ 0 0 0 -9,-1.1 4,-1.6 1,-0.2 5,-0.1 0.864 81.0 47.1 -45.0 -47.8 23.0 18.2 20.8 56 57 A A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.878 108.8 52.3 -66.9 -41.8 21.7 14.6 20.4 57 58 A Y H > S+ 0 0 13 -3,-0.2 4,-2.3 1,-0.2 5,-0.2 0.886 107.6 54.7 -62.7 -37.8 21.0 14.0 24.1 58 59 A N H X S+ 0 0 39 -4,-2.1 4,-1.9 1,-0.2 5,-0.5 0.925 111.7 42.4 -62.1 -46.4 18.9 17.3 24.1 59 60 A G H X>S+ 0 0 1 -4,-1.6 4,-1.9 -5,-0.2 5,-0.7 0.913 112.6 53.2 -69.0 -40.9 16.7 16.1 21.2 60 61 A V H X5S+ 0 0 0 -4,-2.5 4,-1.2 3,-0.2 -2,-0.2 0.942 117.1 37.8 -57.6 -49.3 16.3 12.6 22.5 61 62 A F H X5S+ 0 0 0 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.993 126.6 31.3 -66.4 -66.4 15.1 13.8 25.9 62 63 A Y H X5S+ 0 0 39 -4,-1.9 4,-2.3 -5,-0.2 -3,-0.2 0.846 120.1 50.6 -64.9 -40.3 13.0 16.8 25.0 63 64 A K H X5S+ 0 0 37 -4,-1.9 4,-1.9 -5,-0.5 -1,-0.2 0.919 111.1 49.3 -66.2 -43.8 11.7 15.6 21.6 64 65 A T H X<>S+ 0 0 6 -4,-1.9 5,-2.3 1,-0.2 3,-1.1 0.918 111.3 50.1 -66.3 -46.5 5.8 13.5 21.6 68 69 A L H ><5S+ 0 0 1 -4,-2.1 3,-1.6 1,-0.3 -2,-0.2 0.779 100.6 63.1 -66.0 -28.1 4.5 11.7 24.7 69 70 A E H 3<5S+ 0 0 99 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.742 105.6 48.6 -67.6 -21.4 2.7 14.8 25.9 70 71 A N T <<5S- 0 0 42 -3,-1.1 -50,-0.6 -4,-0.5 -1,-0.3 -0.018 123.7-105.1-106.3 27.7 0.6 14.5 22.8 71 72 A D T < 5S+ 0 0 49 -3,-1.6 2,-0.7 -52,-0.2 -51,-0.6 0.764 75.1 141.7 54.4 29.6 -0.1 10.8 23.3 72 73 A I < - 0 0 1 -5,-2.3 -1,-0.2 -52,-0.2 -50,-0.2 -0.909 39.1-156.1-101.3 112.6 2.3 9.8 20.6 73 74 A T E -b 22 0A 26 -52,-2.0 -50,-2.3 -2,-0.7 2,-0.2 -0.808 14.2-165.2 -93.4 109.7 4.1 6.6 21.8 74 75 A P E -b 23 0A 1 0, 0.0 2,-0.4 0, 0.0 -50,-0.2 -0.638 17.3-163.7 -98.5 154.1 7.5 6.2 20.1 75 76 A I E -b 24 0A 3 -52,-1.9 -50,-3.0 -2,-0.2 2,-0.4 -0.998 24.6-132.9-130.2 125.5 9.8 3.3 19.9 76 77 A W E -bd 25 145A 3 68,-2.4 70,-2.8 -2,-0.4 2,-0.5 -0.655 15.9-158.9 -85.2 134.3 13.3 4.2 18.8 77 78 A V E -bd 26 146A 0 -52,-2.5 -50,-2.4 -2,-0.4 -49,-0.5 -0.949 9.2-170.2-118.0 120.2 15.0 2.1 16.1 78 79 A F E - d 0 147A 0 68,-3.5 70,-2.7 -2,-0.5 72,-0.1 -0.644 29.2-125.4-106.3 162.7 18.8 2.0 15.8 79 80 A D - 0 0 36 -2,-0.2 68,-0.1 68,-0.2 -1,-0.1 0.788 38.9-125.0 -75.2 -29.8 21.0 0.6 13.1 80 81 A G - 0 0 14 66,-0.1 67,-0.1 1,-0.0 -3,-0.0 0.955 29.0-161.5 74.1 69.0 23.1 -1.6 15.4 81 82 A E + 0 0 52 47,-0.1 -1,-0.0 4,-0.0 66,-0.0 0.813 46.9 115.3 -55.2 -44.0 26.3 0.0 14.2 82 83 A P S S- 0 0 75 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.104 84.2 -86.0 -33.6 145.5 28.8 -2.7 15.4 83 84 A P S S+ 0 0 127 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.727 109.7 61.3 -19.1 -96.8 30.8 -4.5 12.6 84 85 A K + 0 0 140 1,-0.2 0, 0.0 2,-0.0 0, 0.0 -0.069 53.2 142.9 -41.0 141.8 28.6 -7.4 11.4 85 86 A L + 0 0 17 5,-0.1 66,-0.2 66,-0.0 -1,-0.2 0.197 16.2 168.2-169.0 10.2 25.3 -5.9 10.1 86 87 A K - 0 0 68 1,-0.1 2,-1.7 64,-0.1 5,-0.2 -0.095 37.5-134.1 -40.5 108.6 24.5 -8.2 7.1 87 88 A E - 0 0 0 3,-0.4 2,-8.2 1,-0.2 -1,-0.1 -0.578 39.7-110.8 -68.1 84.3 20.8 -7.3 6.1 88 89 A K S S+ 0 0 84 -2,-1.7 -1,-0.2 1,-0.2 3,-0.1 0.295 122.1 44.2 -19.8 3.2 20.0 -11.0 5.9 89 90 A T S S+ 0 0 35 -2,-8.2 -1,-0.2 177,-0.1 177,-0.1 -0.566 104.6 84.5-126.7 30.1 19.7 -10.9 2.1 90 91 A R + 0 0 17 -4,-0.1 -3,-0.4 177,-0.1 -5,-0.1 -0.298 55.9 82.6-137.5 70.0 22.8 -8.8 2.3 91 92 A K + 0 0 119 -5,-0.2 -3,-0.1 -4,-0.1 -5,-0.0 0.471 61.5 90.5-138.5 -35.3 26.0 -10.8 2.5 92 93 A V S S- 0 0 109 167,-0.0 -2,-0.0 1,-0.0 167,-0.0 0.782 107.4 -11.0 -35.1 -50.8 26.8 -11.6 -1.2 93 94 A R S S- 0 0 77 1,-0.3 2,-0.1 166,-0.0 4,-0.1 0.579 105.5 -17.8-120.0 -92.1 29.0 -8.5 -1.8 94 95 A R + 0 0 72 2,-0.1 -1,-0.3 1,-0.1 3,-0.0 -0.385 15.3 175.7-117.2-167.8 29.5 -5.4 0.3 95 96 A E S S- 0 0 60 -2,-0.1 -1,-0.1 -9,-0.1 -4,-0.0 0.008 104.0 -7.9-172.3 -16.8 28.3 -3.2 3.2 96 97 A M S S- 0 0 104 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.083 103.2 -84.0-149.5 -86.6 31.4 -1.0 2.9 97 98 A K S S+ 0 0 133 -4,-0.1 5,-0.2 -3,-0.0 -3,-0.0 0.242 83.6 121.7 178.5 2.6 34.1 -2.2 0.5 98 99 A E + 0 0 143 1,-0.1 4,-0.1 3,-0.1 3,-0.1 0.578 65.7 77.6 -57.4 -9.8 36.2 -4.6 2.6 99 100 A K S S- 0 0 119 1,-0.2 2,-0.2 2,-0.1 3,-0.2 0.952 102.4 -12.9 -65.3 -92.2 35.4 -7.2 -0.1 100 101 A A S S+ 0 0 72 1,-0.1 -1,-0.2 2,-0.0 0, 0.0 -0.722 119.1 3.9-117.1 166.7 37.7 -6.6 -3.1 101 102 A E + 0 0 183 -2,-0.2 -1,-0.1 1,-0.2 -3,-0.1 0.653 69.8 144.1 33.5 35.8 40.0 -3.9 -4.5 102 103 A L S S- 0 0 62 -5,-0.2 -1,-0.2 -3,-0.2 -4,-0.0 0.193 78.1 -91.4 -82.8 18.0 39.6 -1.7 -1.4 103 104 A K - 0 0 173 1,-0.2 2,-0.5 0, 0.0 -1,-0.1 0.972 58.4-179.0 69.9 87.2 43.2 -0.7 -1.7 104 105 A M + 0 0 157 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.958 22.0 107.8-124.1 118.2 45.4 -3.2 0.3 105 106 A K - 0 0 151 -2,-0.5 2,-0.4 2,-0.1 0, 0.0 -0.960 66.3 -61.1-166.4-176.5 49.1 -2.9 0.6 106 107 A E + 0 0 193 -2,-0.3 2,-0.2 2,-0.0 -2,-0.0 -0.693 69.9 116.4 -85.4 128.3 52.2 -2.1 2.6 107 108 A A + 0 0 67 -2,-0.4 -2,-0.1 1,-0.0 0, 0.0 -0.669 12.3 149.9 170.8 131.2 52.4 1.5 3.8 108 109 A I + 0 0 108 -2,-0.2 -1,-0.0 5,-0.0 2,-0.0 -0.096 30.0 142.3-171.2 54.4 52.4 3.2 7.2 109 110 A K S >> S- 0 0 105 3,-0.0 4,-1.3 1,-0.0 3,-1.2 -0.098 70.5 -65.3 -90.8-171.7 54.4 6.4 7.2 110 111 A K H 3> S+ 0 0 120 1,-0.3 4,-1.4 2,-0.2 3,-0.1 0.796 138.1 47.9 -45.1 -39.2 54.0 9.9 8.8 111 112 A E H 3> S+ 0 0 108 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.794 104.3 63.0 -74.2 -28.4 50.8 10.4 6.8 112 113 A D H <4 S+ 0 0 46 -3,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.822 111.2 35.6 -65.2 -33.2 49.7 7.0 7.8 113 114 A F H X S+ 0 0 119 -4,-1.3 4,-1.0 2,-0.2 -1,-0.2 0.695 113.1 56.9 -92.5 -23.5 49.6 8.0 11.5 114 115 A E H < S+ 0 0 135 -4,-1.4 -2,-0.2 -5,-0.3 4,-0.2 0.781 110.3 47.7 -72.5 -24.9 48.4 11.5 10.6 115 116 A E T < S+ 0 0 104 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.568 92.3 79.9 -87.0 -12.6 45.7 9.4 9.0 116 117 A A T 4 S+ 0 0 68 1,-0.3 4,-0.4 -5,-0.1 -2,-0.2 0.972 102.5 36.2 -56.3 -51.4 45.5 7.4 12.3 117 118 A A S X S+ 0 0 83 -4,-1.0 2,-1.6 1,-0.2 4,-0.7 0.712 104.8 86.3 -71.1 -18.8 43.5 10.3 13.6 118 119 A K T 4 S+ 0 0 140 -4,-0.2 -1,-0.2 -5,-0.1 -3,-0.1 -0.412 87.4 40.5 -84.2 62.1 42.1 10.4 10.0 119 120 A Y T >> S+ 0 0 175 -2,-1.6 3,-4.6 -3,-0.1 4,-0.5 0.047 95.0 60.6-159.4 -77.5 39.3 7.8 10.3 120 121 A A G >4 S+ 0 0 67 -4,-0.4 3,-2.2 1,-0.3 -2,-0.1 0.807 101.4 63.0 -32.9 -46.2 37.1 7.8 13.5 121 122 A K G >< S+ 0 0 146 -4,-0.7 3,-0.8 1,-0.3 -1,-0.3 0.793 84.7 74.8 -53.9 -30.4 36.1 11.4 12.6 122 123 A R G <4 S+ 0 0 203 -3,-4.6 2,-1.1 1,-0.3 -1,-0.3 0.860 80.0 72.4 -51.8 -34.4 34.6 9.9 9.4 123 124 A V G << S- 0 0 51 -3,-2.2 -1,-0.3 -4,-0.5 -2,-0.1 0.019 106.1-136.7 -71.6 33.1 31.9 8.7 11.7 124 125 A S < - 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0 0 12 -5,-2.1 -1,-0.2 -6,-0.2 2,-0.1 -0.922 59.1-119.1-138.5 162.7 2.8 2.6 -10.1 209 210 A S > - 0 0 51 -2,-0.3 4,-2.2 -3,-0.1 5,-0.1 -0.458 35.4-106.8 -92.5 170.1 3.7 -0.4 -7.9 210 211 A L H > S+ 0 0 32 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.911 124.7 55.3 -63.5 -40.4 6.2 -0.3 -5.0 211 212 A D H > S+ 0 0 67 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.896 107.6 49.3 -58.6 -40.1 8.6 -2.2 -7.3 212 213 A D H > S+ 0 0 35 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.881 108.8 52.3 -64.3 -43.6 8.2 0.7 -9.9 213 214 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.901 107.4 52.5 -60.0 -41.0 8.9 3.3 -7.2 214 215 A I H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.872 107.5 52.3 -63.0 -37.5 12.1 1.4 -6.2 215 216 A D H X S+ 0 0 1 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.946 108.3 49.7 -64.8 -45.9 13.2 1.6 -9.9 216 217 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.932 111.8 50.5 -56.6 -44.5 12.6 5.3 -9.9 217 218 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.908 108.7 50.3 -59.5 -45.0 14.7 5.5 -6.7 218 219 A I H < S+ 0 0 0 -4,-2.6 4,-0.3 2,-0.2 -1,-0.2 0.925 110.0 50.8 -61.7 -43.4 17.4 3.4 -8.3 219 220 A F H < S+ 0 0 0 -4,-2.7 10,-3.1 1,-0.2 -2,-0.2 0.912 114.1 43.6 -58.0 -46.6 17.5 5.8 -11.4 220 221 A M H < S- 0 0 41 -4,-2.4 -1,-0.2 8,-0.2 -2,-0.2 0.843 127.5 -99.4 -70.1 -31.8 17.7 8.8 -9.2 221 222 A G < - 0 0 16 -4,-2.5 2,-0.1 -5,-0.2 -3,-0.1 0.245 35.0-149.4 115.0 121.7 20.3 7.1 -7.0 222 223 A T > - 0 0 8 3,-0.3 3,-0.9 -4,-0.3 6,-0.3 -0.426 42.6 -92.3-105.8-175.9 20.1 5.3 -3.7 223 224 A D T 3 S+ 0 0 96 1,-0.2 -1,-0.0 -2,-0.1 0, 0.0 0.751 130.0 55.6 -67.8 -20.3 22.6 4.9 -0.9 224 225 A Y T 3 S+ 0 0 18 1,-0.2 -1,-0.2 36,-0.0 36,-0.1 0.555 120.3 24.5 -88.4 -11.9 23.5 1.7 -2.8 225 226 A N S X S- 0 0 19 -3,-0.9 3,-2.1 35,-0.0 -3,-0.3 -0.438 82.7-159.6-151.6 68.5 24.2 3.4 -6.1 226 227 A P T 3 S+ 0 0 109 0, 0.0 -5,-0.1 0, 0.0 -3,-0.1 -0.183 78.7 26.5 -51.8 137.4 25.2 7.0 -5.5 227 228 A G T 3> S- 0 0 69 -7,-0.2 4,-0.6 -5,-0.1 -6,-0.1 0.323 96.7-146.4 90.3 -11.0 24.8 9.2 -8.5 228 229 A G T <4 - 0 0 18 -3,-2.1 2,-0.5 -6,-0.3 -8,-0.2 -0.080 47.1 -23.4 50.9-139.9 22.1 7.0 -9.9 229 230 A V T >4 S- 0 0 0 -10,-3.1 3,-3.3 3,-0.3 -1,-0.1 -0.934 106.2 -45.0-117.2 125.0 21.8 6.6 -13.7 230 231 A K T 34 S- 0 0 129 -2,-0.5 3,-0.1 1,-0.3 -1,-0.1 0.645 104.8 -63.9 28.8 42.8 23.1 9.1 -16.2 231 232 A G T 3< S+ 0 0 75 -4,-0.6 -1,-0.3 1,-0.2 2,-0.2 0.555 87.0 162.3 67.8 7.3 21.7 12.1 -14.5 232 233 A I < - 0 0 30 -3,-3.3 -3,-0.3 -13,-0.2 -1,-0.2 -0.404 21.8-156.5 -63.7 128.4 18.1 10.9 -15.0 233 234 A G > - 0 0 36 -2,-0.2 4,-2.2 -3,-0.1 5,-0.2 -0.209 34.8 -82.5 -93.7-170.9 15.7 12.6 -12.6 234 235 A F H > S+ 0 0 10 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.921 124.5 51.1 -60.4 -47.3 12.3 11.6 -11.3 235 236 A K H > S+ 0 0 164 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.910 114.4 41.9 -57.4 -49.7 10.3 12.7 -14.3 236 237 A R H > S+ 0 0 119 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.878 116.2 49.3 -67.9 -38.0 12.4 10.9 -16.8 237 238 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.905 110.9 49.0 -67.7 -42.0 12.7 7.8 -14.6 238 239 A Y H X S+ 0 0 57 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.854 109.0 55.6 -65.2 -34.0 8.9 7.7 -14.1 239 240 A E H X S+ 0 0 104 -4,-1.7 4,-1.1 -5,-0.3 -2,-0.2 0.905 109.2 45.0 -65.1 -42.8 8.5 8.1 -17.9 240 241 A L H X>S+ 0 0 14 -4,-1.9 5,-1.8 2,-0.2 6,-1.0 0.854 112.8 52.4 -70.2 -35.8 10.7 5.0 -18.5 241 242 A V H ><5S+ 0 0 9 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.953 109.0 47.6 -65.5 -49.3 8.8 3.1 -15.8 242 243 A R H 3<5S+ 0 0 115 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.781 108.5 57.7 -64.1 -24.3 5.4 3.8 -17.3 243 244 A S H 3<5S- 0 0 86 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.652 110.8-122.8 -79.9 -15.8 6.7 2.8 -20.7 244 245 A G T <<5S+ 0 0 62 -3,-1.3 -3,-0.2 -4,-0.6 -2,-0.1 0.724 88.8 95.3 82.4 22.3 7.6 -0.6 -19.4 245 246 A V >< + 0 0 60 -5,-1.8 4,-2.0 2,-0.1 -4,-0.2 0.329 49.2 99.0-123.1 2.8 11.3 -0.5 -20.2 246 247 A A H > S+ 0 0 2 -6,-1.0 4,-2.5 1,-0.2 5,-0.2 0.909 81.4 52.2 -56.9 -48.8 12.8 0.7 -16.9 247 248 A K H > S+ 0 0 98 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.887 109.5 47.6 -58.2 -44.3 13.8 -2.8 -15.8 248 249 A D H > S+ 0 0 124 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.928 113.2 50.9 -63.2 -42.6 15.8 -3.6 -18.9 249 250 A V H X S+ 0 0 40 -4,-2.0 4,-3.0 1,-0.2 -2,-0.2 0.888 110.4 47.8 -60.9 -43.3 17.5 -0.2 -18.7 250 251 A L H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 -1,-0.2 0.854 106.3 56.3 -68.6 -37.7 18.5 -0.7 -15.0 251 252 A K H < S+ 0 0 150 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.902 115.8 39.5 -61.1 -38.8 19.9 -4.2 -15.6 252 253 A K H < S+ 0 0 164 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.923 124.3 36.8 -74.5 -47.7 22.2 -2.6 -18.3 253 254 A E H < S+ 0 0 65 -4,-3.0 2,-0.6 1,-0.2 -3,-0.2 0.720 113.5 54.5 -81.8 -23.3 23.0 0.7 -16.4 254 255 A V S >< S- 0 0 10 -4,-3.0 3,-1.3 -5,-0.2 -1,-0.2 -0.899 70.2-147.6-122.4 107.2 23.2 -0.6 -12.8 255 256 A E T 3 S+ 0 0 147 -2,-0.6 -3,-0.1 1,-0.3 -4,-0.0 -0.412 91.9 20.0 -64.0 143.4 25.5 -3.4 -11.8 256 257 A Y T 3> S+ 0 0 86 -5,-0.1 4,-2.4 3,-0.1 -1,-0.3 0.788 78.6 148.5 65.0 26.9 24.0 -5.4 -8.9 257 258 A Y H <> S+ 0 0 10 -3,-1.3 4,-2.0 1,-0.2 5,-0.1 0.907 73.2 49.0 -56.5 -43.5 20.6 -4.0 -9.8 258 259 A D H > S+ 0 0 70 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.822 109.4 52.4 -67.0 -33.4 19.0 -7.2 -8.5 259 260 A E H > S+ 0 0 62 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.904 108.2 49.7 -69.4 -42.6 21.0 -7.0 -5.3 260 261 A I H X S+ 0 0 5 -4,-2.4 4,-1.2 1,-0.2 3,-0.5 0.920 109.5 52.4 -62.5 -44.5 19.9 -3.5 -4.6 261 262 A K H >X S+ 0 0 56 -4,-2.0 4,-2.5 1,-0.2 3,-0.5 0.911 106.2 53.7 -56.7 -46.0 16.3 -4.5 -5.2 262 263 A R H 3X S+ 0 0 102 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.795 99.9 62.4 -61.9 -28.8 16.7 -7.4 -2.7 263 264 A I H 3< S+ 0 0 13 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.902 113.1 35.2 -62.8 -41.0 17.9 -4.9 -0.1 264 265 A F H << S+ 0 0 5 -4,-1.2 -2,-0.2 -3,-0.5 -1,-0.2 0.844 125.8 39.0 -81.9 -36.2 14.6 -3.1 -0.2 265 266 A K H < S+ 0 0 86 -4,-2.5 -3,-0.2 1,-0.2 -2,-0.2 0.791 128.0 29.4 -84.6 -30.3 12.3 -6.2 -0.7 266 267 A E S < S+ 0 0 90 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.1 -0.440 77.7 163.2-128.6 57.9 14.2 -8.6 1.6 267 268 A P - 0 0 26 0, 0.0 2,-0.5 0, 0.0 -179,-0.1 -0.392 46.0-104.5 -77.9 159.9 15.8 -6.8 4.4 268 269 A K + 0 0 45 -2,-0.1 -118,-0.5 -5,-0.1 2,-0.2 -0.712 54.3 165.2 -80.5 125.6 17.0 -8.4 7.6 269 270 A V - 0 0 47 -2,-0.5 2,-0.3 -120,-0.1 -114,-0.1 -0.744 23.7-140.0-133.2 179.4 14.5 -7.6 10.3 270 271 A T - 0 0 38 -2,-0.2 -122,-0.0 -115,-0.1 -111,-0.0 -0.993 17.4-160.7-147.4 152.0 13.6 -8.8 13.9 271 272 A D + 0 0 93 -2,-0.3 2,-1.6 1,-0.1 -1,-0.1 0.423 66.1 108.5-107.3 -5.0 10.5 -9.4 16.0 272 273 A N + 0 0 142 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.545 56.0 88.4 -79.1 84.3 12.5 -9.2 19.2 273 274 A Y - 0 0 40 -2,-1.6 2,-0.3 -127,-0.1 -127,-0.1 -0.961 58.7-135.6-163.4 171.4 11.4 -5.9 20.7 274 275 A S - 0 0 64 -2,-0.3 -2,-0.0 -129,-0.2 -3,-0.0 -0.997 9.1-156.4-141.4 143.7 8.7 -4.4 23.0 275 276 A L + 0 0 40 -2,-0.3 -1,-0.1 -200,-0.1 2,-0.1 0.408 58.5 124.7 -96.1 -0.4 6.6 -1.3 22.7 276 277 A S - 0 0 76 -133,-0.1 2,-0.3 1,-0.1 -2,-0.1 -0.326 52.9-142.6 -64.7 138.6 6.2 -1.2 26.5 277 278 A L - 0 0 24 -134,-0.1 2,-0.3 34,-0.1 -134,-0.2 -0.752 12.5-157.2-100.7 150.3 7.1 1.9 28.4 278 279 A K - 0 0 148 -136,-2.4 33,-0.1 -2,-0.3 34,-0.1 -0.873 31.7 -87.5-124.4 158.6 8.7 1.8 31.8 279 280 A L - 0 0 89 -2,-0.3 2,-0.1 1,-0.1 -137,-0.1 -0.384 52.2-108.1 -66.0 141.1 8.9 4.4 34.6 280 281 A P - 0 0 8 0, 0.0 2,-1.5 0, 0.0 -139,-0.2 -0.437 15.7-125.0 -74.0 143.3 11.9 6.8 34.2 281 282 A D > - 0 0 72 -141,-2.8 4,-2.1 1,-0.2 5,-0.2 -0.720 29.8-172.0 -86.2 89.5 14.9 6.7 36.6 282 283 A K H > S+ 0 0 43 -2,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.860 79.3 49.0 -51.2 -45.0 14.7 10.4 37.6 283 284 A E H > S+ 0 0 142 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.897 110.6 48.9 -65.3 -45.5 18.0 10.3 39.5 284 285 A G H > S+ 0 0 9 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.856 110.3 51.8 -64.5 -36.6 20.0 8.7 36.7 285 286 A I H X S+ 0 0 0 -4,-2.1 4,-3.2 2,-0.2 5,-0.5 0.925 109.8 49.3 -66.3 -43.6 18.6 11.1 34.1 286 287 A I H X>S+ 0 0 27 -4,-1.9 5,-2.0 1,-0.2 4,-1.8 0.925 113.1 47.1 -60.1 -45.9 19.6 14.1 36.3 287 288 A K H <>S+ 0 0 114 -4,-2.3 5,-3.1 3,-0.2 6,-0.3 0.926 117.8 41.2 -63.2 -46.0 23.1 12.7 36.8 288 289 A F H <5S+ 0 0 8 -4,-2.5 5,-0.4 3,-0.2 -2,-0.2 0.974 127.9 29.8 -66.9 -53.7 23.6 12.0 33.1 289 290 A L H <5S+ 0 0 0 -4,-3.2 6,-2.5 -5,-0.2 4,-0.2 0.952 134.4 23.1 -72.5 -54.8 22.0 15.2 31.8 290 291 A V T X5S+ 0 0 21 -4,-1.8 4,-1.2 -5,-0.5 -3,-0.2 0.970 129.8 36.4 -79.6 -60.0 22.6 17.8 34.5 291 292 A D T 4 - 0 0 80 1,-0.2 4,-2.4 -2,-0.1 5,-0.2 -0.567 35.2-145.4 -70.6 124.0 19.8 23.1 33.2 297 298 A Y H > S+ 0 0 110 -2,-0.4 4,-3.4 1,-0.2 5,-0.3 0.938 94.5 50.7 -55.4 -55.2 18.7 21.4 36.5 298 299 A D H > S+ 0 0 121 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.919 112.9 46.0 -49.7 -53.0 15.3 23.1 36.8 299 300 A R H > S+ 0 0 136 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.916 115.4 45.9 -60.0 -45.7 14.3 22.3 33.2 300 301 A V H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.958 111.8 51.4 -64.4 -47.7 15.4 18.7 33.5 301 302 A K H X S+ 0 0 65 -4,-3.4 4,-1.9 1,-0.2 5,-0.2 0.938 110.7 48.9 -52.8 -50.5 13.7 18.2 36.9 302 303 A K H X S+ 0 0 130 -4,-2.6 4,-1.6 -5,-0.3 -1,-0.2 0.893 114.8 45.4 -57.9 -41.4 10.5 19.6 35.6 303 304 A H H X S+ 0 0 38 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.874 109.0 51.6 -74.9 -36.6 10.6 17.3 32.5 304 305 A V H X S+ 0 0 0 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.837 111.1 51.3 -68.5 -29.8 11.6 14.1 34.3 305 306 A D H X S+ 0 0 44 -4,-1.9 4,-1.8 -5,-0.3 -1,-0.2 0.901 112.9 44.6 -70.7 -39.6 8.6 14.7 36.6 306 307 A K H X S+ 0 0 51 -4,-1.6 4,-2.1 -5,-0.2 -2,-0.2 0.896 112.6 52.0 -70.4 -39.4 6.3 15.2 33.6 307 308 A L H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 5,-0.3 0.927 108.3 51.6 -62.5 -44.4 7.8 12.1 31.9 308 309 A Y H X S+ 0 0 84 -4,-2.2 4,-3.0 1,-0.2 -1,-0.2 0.934 111.7 45.8 -57.1 -49.2 7.2 10.0 34.9 309 310 A N H X S+ 0 0 91 -4,-1.8 4,-2.9 2,-0.2 5,-0.3 0.857 110.2 54.2 -65.7 -35.6 3.5 11.0 35.2 310 311 A L H X S+ 0 0 37 -4,-2.1 4,-3.7 2,-0.2 5,-0.2 0.957 115.0 39.3 -63.3 -49.9 2.9 10.6 31.5 311 312 A I H X S+ 0 0 0 -4,-2.3 4,-3.7 2,-0.2 -2,-0.2 0.921 115.6 52.9 -66.7 -40.8 4.2 7.0 31.6 312 313 A A H < S+ 0 0 38 -4,-3.0 -2,-0.2 -5,-0.3 -1,-0.2 0.934 118.3 36.8 -58.2 -46.3 2.5 6.4 34.9 313 314 A N H < S+ 0 0 139 -4,-2.9 -2,-0.2 2,-0.2 -1,-0.2 0.882 116.9 51.0 -74.0 -40.6 -0.8 7.6 33.5 314 315 A K H < 0 0 68 -4,-3.7 -2,-0.2 1,-0.3 -3,-0.2 0.977 360.0 360.0 -58.6 -53.0 -0.2 6.1 30.0 315 316 A T < 0 0 119 -4,-3.7 -1,-0.3 -5,-0.2 -2,-0.2 0.535 360.0 360.0 -77.4 360.0 0.6 2.8 31.8