==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL CYCLE, HYDROLASE 25-OCT-00 1G3Q . COMPND 2 MOLECULE: CELL DIVISION INHIBITOR; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR I.HAYASHI,T.OYAMA,K.MORIKAWA . 237 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10729.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 16.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 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 . 23 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 72 30.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.1 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 2 1 2 1 1 1 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A M 0 0 107 0, 0.0 112,-0.2 0, 0.0 113,-0.1 0.000 360.0 360.0 360.0 -47.5 26.8 46.1 75.6 2 2 A G + 0 0 6 110,-1.3 2,-0.6 1,-0.2 112,-0.2 0.877 360.0 168.3 65.4 39.9 30.3 46.6 74.2 3 3 A R E -a 114 0A 16 110,-2.4 112,-2.6 132,-0.0 2,-0.7 -0.777 20.5-158.5 -89.3 118.3 29.5 45.7 70.6 4 4 A I E -a 115 0A 0 -2,-0.6 131,-2.6 110,-0.2 132,-2.3 -0.855 13.5-175.4-100.6 111.3 32.4 46.5 68.3 5 5 A I E -ab 116 136A 0 110,-2.6 112,-2.6 -2,-0.7 2,-0.5 -0.923 16.4-147.4-114.0 123.1 31.1 46.9 64.7 6 6 A S E -ab 117 137A 0 130,-3.3 132,-2.9 -2,-0.5 2,-0.8 -0.746 8.6-148.8 -88.4 127.0 33.4 47.5 61.7 7 7 A I E +ab 118 138A 0 110,-2.9 112,-1.7 -2,-0.5 2,-0.2 -0.864 36.9 168.3 -95.9 109.0 31.8 49.6 59.0 8 8 A V E + b 0 139A 0 130,-1.9 132,-2.8 -2,-0.8 2,-0.3 -0.697 23.1 177.9-125.3 172.9 33.4 48.2 55.8 9 9 A S - 0 0 0 111,-0.3 113,-1.6 -2,-0.2 132,-0.1 -0.985 36.9-125.9-165.2 161.9 33.3 48.2 52.0 10 10 A G S S+ 0 0 16 130,-0.4 2,-0.3 137,-0.3 113,-0.1 0.716 99.1 31.2 -85.2 -22.7 35.0 46.8 48.9 11 11 A K S > S- 0 0 68 129,-0.3 3,-0.5 136,-0.1 2,-0.1 -0.924 82.3-114.2-134.1 158.8 35.4 50.3 47.5 12 12 A G T 3 S+ 0 0 54 -2,-0.3 -2,-0.0 1,-0.2 110,-0.0 -0.457 94.2 40.5 -86.7 164.2 35.8 53.8 48.8 13 13 A G T 3 S+ 0 0 59 -2,-0.1 -1,-0.2 1,-0.1 0, 0.0 0.606 79.6 115.8 74.9 12.0 33.2 56.5 48.4 14 14 A T S < S- 0 0 1 -3,-0.5 127,-0.1 126,-0.1 157,-0.1 0.686 94.4 -89.6 -86.0 -20.8 30.4 54.0 49.2 15 15 A G S > S+ 0 0 11 125,-0.1 4,-3.3 156,-0.0 5,-0.3 0.550 77.5 138.2 124.1 14.0 29.3 55.7 52.4 16 16 A K H > S+ 0 0 12 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.920 81.5 41.1 -55.2 -50.2 31.3 54.2 55.3 17 17 A T H > S+ 0 0 22 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.918 116.2 51.2 -65.6 -40.2 31.9 57.5 57.1 18 18 A T H > S+ 0 0 25 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.904 113.3 44.1 -62.3 -44.3 28.3 58.6 56.4 19 19 A V H X S+ 0 0 0 -4,-3.3 4,-2.8 2,-0.2 5,-0.4 0.934 113.7 51.3 -67.5 -44.4 26.9 55.3 57.7 20 20 A T H X S+ 0 0 0 -4,-2.8 4,-2.1 -5,-0.3 -2,-0.2 0.949 114.9 42.4 -56.2 -52.2 29.2 55.4 60.7 21 21 A A H X S+ 0 0 0 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.933 118.7 42.3 -62.0 -50.9 28.2 59.0 61.6 22 22 A N H X S+ 0 0 4 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.905 115.2 49.2 -66.3 -41.4 24.5 58.7 61.0 23 23 A L H X S+ 0 0 0 -4,-2.8 4,-2.9 -5,-0.3 5,-0.3 0.904 109.5 54.1 -64.2 -39.9 24.2 55.3 62.7 24 24 A S H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.4 -2,-0.2 0.941 112.5 42.0 -57.8 -50.1 26.2 56.6 65.7 25 25 A V H X S+ 0 0 8 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.893 113.8 52.2 -66.1 -41.0 23.7 59.5 66.2 26 26 A A H X S+ 0 0 7 -4,-2.6 4,-0.7 2,-0.2 -2,-0.2 0.942 114.2 42.7 -60.9 -48.1 20.7 57.4 65.6 27 27 A L H ><>S+ 0 0 0 -4,-2.9 5,-2.2 1,-0.2 3,-0.8 0.894 112.9 52.9 -65.6 -40.2 21.8 54.8 68.2 28 28 A G H ><5S+ 0 0 0 -4,-2.5 3,-1.5 -5,-0.3 -1,-0.2 0.881 105.7 54.9 -62.4 -36.1 22.8 57.6 70.6 29 29 A D H 3<5S+ 0 0 134 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.704 101.8 58.1 -70.2 -19.1 19.4 59.1 70.2 30 30 A R T <<5S- 0 0 101 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.386 128.7 -97.7 -90.1 2.8 17.9 55.8 71.3 31 31 A G T < 5S+ 0 0 48 -3,-1.5 2,-0.3 1,-0.3 -3,-0.2 0.494 80.3 135.1 96.6 4.4 19.8 56.0 74.5 32 32 A R < - 0 0 96 -5,-2.2 2,-0.7 81,-0.0 -1,-0.3 -0.685 57.5-122.5 -89.6 140.3 22.8 53.8 73.6 33 33 A K - 0 0 81 -2,-0.3 80,-2.2 48,-0.1 81,-1.9 -0.722 38.7-169.7 -83.6 116.8 26.4 55.0 74.5 34 34 A V E -cd 81 114A 0 46,-3.4 48,-2.9 -2,-0.7 2,-0.5 -0.863 23.8-163.7-116.7 143.3 28.4 55.2 71.3 35 35 A L E -cd 82 115A 0 79,-2.4 81,-2.3 -2,-0.4 2,-0.7 -0.978 13.5-156.6-120.8 114.1 32.0 55.6 70.3 36 36 A A E -cd 83 116A 0 46,-2.9 48,-2.5 -2,-0.5 2,-0.5 -0.841 13.9-160.1 -92.7 118.7 32.5 56.5 66.7 37 37 A V E -cd 84 117A 0 79,-3.2 81,-3.3 -2,-0.7 2,-1.3 -0.874 14.1-145.4-106.4 128.1 36.1 55.5 65.7 38 38 A D E + d 0 118A 1 46,-2.3 81,-0.1 -2,-0.5 21,-0.1 -0.712 29.9 162.6 -90.9 90.8 37.9 57.0 62.7 39 39 A G + 0 0 0 79,-1.6 2,-1.6 -2,-1.3 -1,-0.2 0.307 45.1 103.5 -89.8 8.7 39.9 54.0 61.5 40 40 A D > + 0 0 15 79,-0.2 3,-1.2 1,-0.2 -1,-0.1 -0.615 50.2 178.1 -91.2 77.3 40.5 55.6 58.1 41 41 A L T 3 S+ 0 0 2 -2,-1.6 3,-0.4 1,-0.3 -1,-0.2 0.775 74.3 42.3 -51.9 -37.7 44.1 56.6 58.9 42 42 A T T 3 S+ 0 0 63 1,-0.2 -1,-0.3 -3,-0.2 51,-0.1 0.597 125.6 33.3 -89.8 -10.3 44.9 58.1 55.5 43 43 A M S < S- 0 0 119 -3,-1.2 2,-0.5 50,-0.0 -1,-0.2 -0.460 74.2-175.2-142.2 64.6 41.6 59.9 55.1 44 44 A A + 0 0 13 43,-0.4 -3,-0.1 -3,-0.4 -6,-0.0 -0.515 29.4 135.6 -68.0 113.0 40.4 61.0 58.5 45 45 A N > + 0 0 82 -2,-0.5 4,-2.2 2,-0.1 3,-0.3 0.528 43.4 87.7-129.4 -24.0 36.9 62.5 57.9 46 46 A L H > S+ 0 0 0 1,-0.2 4,-1.4 -3,-0.2 6,-0.2 0.883 87.7 49.8 -48.8 -54.3 34.7 61.1 60.7 47 47 A S H 4>S+ 0 0 9 1,-0.2 5,-2.6 2,-0.2 3,-0.4 0.902 112.3 49.2 -54.9 -43.6 35.4 63.7 63.4 48 48 A L H >45S+ 0 0 97 -3,-0.3 3,-1.6 1,-0.2 -1,-0.2 0.907 108.1 53.1 -63.4 -42.8 34.7 66.6 61.0 49 49 A V H 3<5S+ 0 0 14 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.749 109.7 50.1 -65.3 -22.4 31.4 64.9 59.9 50 50 A L T 3<5S- 0 0 0 -4,-1.4 27,-0.5 -3,-0.4 -1,-0.3 0.336 121.0-108.4 -97.5 6.1 30.5 64.8 63.6 51 51 A G T < 5S+ 0 0 26 -3,-1.6 2,-0.9 1,-0.2 -3,-0.2 0.616 81.6 124.2 81.2 11.1 31.3 68.4 64.2 52 52 A V < + 0 0 20 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.2 -0.837 25.1 156.5-105.0 94.1 34.4 67.9 66.2 53 53 A D + 0 0 103 -2,-0.9 -1,-0.1 1,-0.1 -5,-0.1 0.584 57.6 51.3 -98.8 -8.7 36.9 69.9 64.2 54 54 A D + 0 0 141 -7,-0.1 -1,-0.1 -6,-0.0 -2,-0.0 0.226 60.5 151.1-119.4 20.0 39.7 70.9 66.7 55 55 A P - 0 0 29 0, 0.0 3,-0.1 0, 0.0 17,-0.0 -0.250 26.0-166.2 -57.0 127.5 40.9 67.8 68.6 56 56 A D S S+ 0 0 137 1,-0.1 2,-0.5 31,-0.0 16,-0.1 0.743 77.0 51.5 -82.5 -25.6 44.6 68.1 69.6 57 57 A V S S+ 0 0 38 14,-0.2 2,-0.2 4,-0.0 -1,-0.1 -0.959 72.1 173.5-117.8 130.2 44.9 64.4 70.4 58 58 A T >> - 0 0 5 -2,-0.5 4,-1.6 26,-0.1 3,-0.7 -0.742 50.2 -96.5-129.0 175.7 43.9 61.7 67.9 59 59 A L H 3> S+ 0 0 0 26,-3.2 4,-3.1 1,-0.3 5,-0.2 0.847 122.1 62.6 -59.3 -32.8 43.9 58.0 67.3 60 60 A H H 3> S+ 0 0 0 25,-0.3 4,-0.9 1,-0.2 -1,-0.3 0.877 101.1 50.2 -61.6 -37.8 47.1 58.6 65.3 61 61 A D H <4>S+ 0 0 28 -3,-0.7 5,-2.7 2,-0.2 6,-0.6 0.907 112.2 48.1 -65.3 -42.0 48.8 59.9 68.4 62 62 A V H ><5S+ 0 0 14 -4,-1.6 3,-1.9 1,-0.2 5,-0.3 0.935 110.3 50.5 -63.4 -47.7 47.7 56.8 70.3 63 63 A L H 3<5S+ 0 0 1 -4,-3.1 34,-1.7 1,-0.3 -1,-0.2 0.645 106.3 56.3 -67.0 -15.7 48.9 54.5 67.5 64 64 A A T 3<5S- 0 0 34 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.433 117.5-116.2 -93.0 -1.2 52.3 56.2 67.5 65 65 A G T < 5S+ 0 0 51 -3,-1.9 -3,-0.2 2,-0.2 -2,-0.1 0.718 87.2 114.3 73.9 22.1 52.5 55.4 71.2 66 66 A E S - 0 0 109 -2,-0.3 3,-1.9 1,-0.1 4,-0.2 -0.637 33.9-123.9 -80.8 139.0 46.8 57.0 76.0 69 69 A V G > S+ 0 0 11 -2,-0.3 3,-1.9 1,-0.3 -1,-0.1 0.794 109.0 69.0 -54.8 -28.0 43.6 56.2 74.1 70 70 A E G > S+ 0 0 93 1,-0.3 3,-1.0 2,-0.2 -1,-0.3 0.845 95.8 54.5 -58.8 -34.4 41.6 57.8 77.0 71 71 A D G < S+ 0 0 100 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.403 101.2 58.5 -82.5 3.6 43.0 61.2 76.0 72 72 A A G < S+ 0 0 0 -3,-1.9 2,-0.6 -4,-0.2 -1,-0.2 0.185 80.7 104.6-114.2 12.9 41.8 60.8 72.4 73 73 A I < - 0 0 45 -3,-1.0 2,-0.3 11,-0.2 11,-0.2 -0.861 50.8-177.2 -99.5 120.0 38.1 60.4 73.4 74 74 A Y E -E 83 0A 63 9,-2.9 9,-2.5 -2,-0.6 2,-0.1 -0.827 25.2-120.0-118.6 156.5 36.0 63.5 72.7 75 75 A M E -E 82 0A 140 -2,-0.3 2,-0.3 7,-0.2 7,-0.2 -0.385 26.2-155.5 -80.7 165.7 32.4 64.5 73.3 76 76 A T - 0 0 10 5,-0.8 5,-0.2 2,-0.4 4,-0.1 -0.830 34.4-101.8-133.1 172.0 30.2 65.5 70.3 77 77 A Q S S+ 0 0 103 -27,-0.5 2,-0.4 -2,-0.3 5,-0.1 0.466 97.3 93.6 -76.3 1.4 27.2 67.8 70.3 78 78 A F S > S- 0 0 7 3,-0.3 3,-2.0 -28,-0.2 -2,-0.4 -0.800 87.6-103.4-102.9 136.7 25.1 64.6 70.1 79 79 A D T 3 S- 0 0 112 -2,-0.4 -48,-0.2 1,-0.3 3,-0.1 -0.311 101.3 -3.7 -56.7 126.6 23.6 62.8 73.1 80 80 A N T 3 S+ 0 0 66 1,-0.2 -46,-3.4 -4,-0.1 2,-0.5 0.589 103.8 122.5 66.7 14.5 25.5 59.7 74.1 81 81 A V E < +c 34 0A 2 -3,-2.0 -5,-0.8 -48,-0.2 2,-0.3 -0.927 33.1 173.1-114.6 123.4 27.9 60.0 71.1 82 82 A Y E -cE 35 75A 79 -48,-2.9 -46,-2.9 -2,-0.5 2,-0.4 -0.821 16.1-143.9-120.5 161.5 31.6 60.2 71.6 83 83 A V E -cE 36 74A 0 -9,-2.5 -9,-2.9 -2,-0.3 -46,-0.2 -0.976 16.8-158.8-134.5 144.7 34.4 60.2 69.0 84 84 A L E -c 37 0A 0 -48,-2.5 -46,-2.3 -2,-0.4 -11,-0.2 -0.910 39.4-155.8-115.2 90.6 37.9 58.9 68.7 85 85 A P - 0 0 0 0, 0.0 -26,-3.2 0, 0.0 -25,-0.3 -0.226 8.4-133.3 -72.1 158.2 39.2 61.2 65.9 86 86 A G - 0 0 10 -28,-0.2 2,-0.2 -27,-0.2 -39,-0.1 -0.818 21.4-116.9-110.4 151.9 41.9 60.8 63.3 87 87 A A - 0 0 10 -2,-0.3 -43,-0.4 1,-0.1 -31,-0.0 -0.511 13.6-153.9 -82.6 156.7 44.6 63.3 62.5 88 88 A V + 0 0 117 -2,-0.2 -1,-0.1 -45,-0.1 -44,-0.1 0.713 61.1 99.4-102.5 -26.1 44.7 64.7 58.9 89 89 A D S > S- 0 0 72 1,-0.1 4,-1.8 4,-0.0 3,-0.4 -0.331 74.7-126.9 -67.8 143.1 48.3 65.7 58.6 90 90 A W H > S+ 0 0 167 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.814 105.8 60.2 -57.9 -37.5 50.7 63.3 56.8 91 91 A E H > S+ 0 0 102 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.925 107.8 46.6 -59.0 -43.2 53.3 63.1 59.6 92 92 A H H > S+ 0 0 49 -3,-0.4 4,-1.2 1,-0.2 -1,-0.2 0.903 109.9 53.8 -64.3 -41.2 50.6 61.7 61.9 93 93 A V H < S+ 0 0 16 -4,-1.8 3,-0.5 1,-0.2 -2,-0.2 0.934 109.8 48.9 -58.6 -45.1 49.5 59.3 59.1 94 94 A L H < S+ 0 0 102 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.925 112.0 45.3 -61.3 -48.6 53.1 58.1 58.9 95 95 A K H < S+ 0 0 139 -4,-2.2 2,-0.7 -5,-0.2 -1,-0.2 0.586 86.1 102.5 -76.9 -9.6 53.8 57.5 62.6 96 96 A A < - 0 0 6 -4,-1.2 -32,-0.2 -3,-0.5 -35,-0.1 -0.653 66.3-145.4 -78.8 113.2 50.5 55.7 63.3 97 97 A D > - 0 0 29 -34,-1.7 3,-1.5 -2,-0.7 4,-0.1 -0.693 9.0-164.3 -79.1 107.8 51.1 52.0 63.6 98 98 A P G > S+ 0 0 14 0, 0.0 3,-1.9 0, 0.0 -1,-0.2 0.767 81.4 73.1 -64.3 -24.7 47.9 50.4 62.1 99 99 A R G 3 S+ 0 0 170 1,-0.3 4,-0.3 2,-0.1 -2,-0.1 0.682 91.3 58.2 -64.6 -16.6 48.8 47.1 63.6 100 100 A K G <> S+ 0 0 80 -3,-1.5 4,-2.2 1,-0.2 -1,-0.3 0.424 78.4 94.0 -93.6 1.4 48.0 48.4 67.0 101 101 A L H <> S+ 0 0 0 -3,-1.9 4,-3.0 1,-0.2 5,-0.3 0.944 81.3 52.2 -58.6 -51.6 44.4 49.3 66.1 102 102 A P H > S+ 0 0 30 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.916 113.3 42.8 -53.3 -48.0 42.8 46.0 67.3 103 103 A E H > S+ 0 0 129 -4,-0.3 4,-1.1 2,-0.2 -2,-0.2 0.899 116.2 48.9 -67.2 -39.1 44.4 46.2 70.8 104 104 A V H < S+ 0 0 16 -4,-2.2 3,-0.3 2,-0.2 4,-0.2 0.956 115.8 41.0 -65.1 -51.6 43.6 49.9 71.2 105 105 A I H >< S+ 0 0 0 -4,-3.0 3,-2.4 1,-0.2 4,-0.3 0.953 112.3 53.3 -63.2 -50.9 40.0 49.7 70.1 106 106 A K H >< S+ 0 0 102 -4,-2.2 3,-1.3 -5,-0.3 4,-0.2 0.752 96.6 68.4 -58.7 -24.0 39.2 46.5 72.0 107 107 A S T 3< S+ 0 0 61 -4,-1.1 -1,-0.3 -3,-0.3 3,-0.2 0.615 98.1 53.3 -70.9 -10.3 40.5 48.0 75.2 108 108 A L T X S+ 0 0 0 -3,-2.4 3,-2.2 -4,-0.2 4,-0.4 0.435 76.3 105.5-101.3 -2.8 37.5 50.4 75.1 109 109 A K G X S+ 0 0 88 -3,-1.3 3,-0.8 -4,-0.3 -1,-0.1 0.796 75.8 53.8 -46.5 -40.7 34.9 47.6 74.8 110 110 A D G 3 S+ 0 0 130 -4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.523 102.4 58.0 -77.8 -6.3 33.8 48.0 78.4 111 111 A K G < S+ 0 0 88 -3,-2.2 2,-0.3 -110,-0.0 -1,-0.2 0.462 104.4 46.3-103.4 -1.6 33.0 51.7 78.2 112 112 A F < - 0 0 11 -3,-0.8 -110,-1.3 -4,-0.4 -78,-0.2 -0.965 59.9-143.5-140.9 156.3 30.5 51.8 75.4 113 113 A D S S+ 0 0 42 -80,-2.2 -110,-2.4 1,-0.3 2,-0.4 0.820 97.8 18.6 -82.3 -35.4 27.4 50.0 74.2 114 114 A F E -ad 3 34A 0 -81,-1.9 -79,-2.4 -112,-0.2 2,-0.5 -1.000 58.8-170.7-139.4 135.4 28.5 50.4 70.6 115 115 A I E -ad 4 35A 0 -112,-2.6 -110,-2.6 -2,-0.4 2,-0.6 -0.972 15.6-165.0-124.4 110.1 31.9 51.1 69.1 116 116 A L E -ad 5 36A 0 -81,-2.3 -79,-3.2 -2,-0.5 2,-0.7 -0.885 5.0-154.2-103.0 118.5 31.5 51.8 65.4 117 117 A I E -ad 6 37A 0 -112,-2.6 -110,-2.9 -2,-0.6 2,-0.8 -0.819 5.7-149.2 -98.4 114.4 34.7 51.7 63.4 118 118 A D E -ad 7 38A 0 -81,-3.3 -79,-1.6 -2,-0.7 -78,-0.2 -0.705 28.7-164.4 -78.2 111.7 34.8 53.8 60.2 119 119 A C - 0 0 0 -112,-1.7 -79,-0.2 -2,-0.8 2,-0.1 -0.705 21.7-117.4-105.0 152.1 37.2 51.7 58.0 120 120 A P - 0 0 11 0, 0.0 -111,-0.3 0, 0.0 11,-0.1 -0.490 46.2-103.6 -76.0 159.6 39.1 52.5 54.9 121 121 A A S S+ 0 0 30 -113,-0.1 3,-0.3 -2,-0.1 -111,-0.2 -0.335 74.4 34.3 -81.7 166.2 38.0 50.3 52.0 122 122 A G S S- 0 0 21 -113,-1.6 -113,-0.2 1,-0.2 -111,-0.1 -0.438 87.1 -78.3 97.3-166.7 39.9 47.3 50.6 123 123 A L S S+ 0 0 77 -2,-0.1 -1,-0.2 -113,-0.1 -2,-0.0 0.199 80.4 116.3-127.2 12.6 42.1 44.6 51.9 124 124 A Q S > S- 0 0 159 -3,-0.3 4,-2.9 4,-0.1 5,-0.3 -0.154 83.5 -81.3 -75.6 179.1 45.5 46.4 52.3 125 125 A L H > S+ 0 0 98 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.895 126.8 43.7 -48.6 -59.1 47.2 46.8 55.7 126 126 A D H > S+ 0 0 44 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.924 116.7 48.8 -56.0 -45.8 45.3 49.9 57.0 127 127 A A H > S+ 0 0 3 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.932 114.3 44.5 -60.2 -48.7 42.0 48.5 55.9 128 128 A M H X S+ 0 0 40 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.903 110.9 53.8 -63.9 -42.9 42.6 45.0 57.4 129 129 A S H < S+ 0 0 11 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.875 114.3 42.1 -59.8 -39.1 44.0 46.5 60.7 130 130 A A H >< S+ 0 0 0 -4,-1.9 3,-2.0 -5,-0.2 4,-0.3 0.965 115.9 46.1 -73.3 -54.4 40.8 48.6 61.1 131 131 A M H >< S+ 0 0 0 -4,-2.7 3,-1.7 1,-0.3 -2,-0.2 0.889 109.5 55.7 -56.2 -42.2 38.3 46.0 60.1 132 132 A L T 3< S+ 0 0 60 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.453 91.4 74.2 -72.6 0.5 39.9 43.3 62.3 133 133 A S T < S+ 0 0 0 -3,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.583 90.3 75.2 -85.9 -11.9 39.6 45.6 65.3 134 134 A G < - 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0 0 106 -2,-0.6 4,-3.0 1,-0.1 3,-0.2 -0.852 66.8-139.2-100.3 131.3 26.9 48.4 41.4 145 145 A I H > S+ 0 0 93 -2,-0.5 4,-3.2 1,-0.2 5,-0.3 0.897 105.8 50.5 -53.5 -43.7 27.6 44.7 40.7 146 146 A S H > S+ 0 0 46 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.883 112.4 46.8 -62.9 -38.1 31.4 45.4 40.9 147 147 A C H > S+ 0 0 0 -3,-0.2 4,-2.4 2,-0.2 -137,-0.3 0.890 113.6 49.5 -70.7 -38.1 30.9 47.1 44.2 148 148 A L H X S+ 0 0 0 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.961 113.7 43.8 -64.5 -52.2 28.6 44.3 45.5 149 149 A T H X S+ 0 0 48 -4,-3.2 4,-2.1 2,-0.2 -2,-0.2 0.886 114.9 49.8 -61.9 -40.1 31.0 41.5 44.5 150 150 A D H X S+ 0 0 57 -4,-2.1 4,-1.6 -5,-0.3 -1,-0.2 0.940 113.3 45.2 -64.5 -46.4 34.0 43.4 45.9 151 151 A T H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.868 109.1 57.6 -64.7 -36.0 32.3 44.1 49.2 152 152 A M H X S+ 0 0 34 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.935 104.0 52.6 -58.6 -46.6 31.1 40.5 49.3 153 153 A K H X S+ 0 0 127 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.880 107.6 51.1 -57.2 -41.2 34.8 39.4 49.1 154 154 A V H X S+ 0 0 3 -4,-1.6 4,-2.9 1,-0.2 5,-0.2 0.929 108.9 51.8 -63.0 -44.0 35.6 41.6 52.1 155 155 A G H X S+ 0 0 6 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.900 108.4 50.6 -58.8 -42.3 32.7 40.0 54.0 156 156 A I H X S+ 0 0 69 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.922 111.1 49.0 -62.2 -43.8 34.0 36.6 53.2 157 157 A V H X S+ 0 0 51 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.949 114.0 44.8 -60.8 -50.2 37.5 37.5 54.4 158 158 A L H <>S+ 0 0 0 -4,-2.9 5,-2.2 1,-0.2 4,-0.5 0.873 110.6 55.4 -62.5 -37.6 36.2 39.0 57.7 159 159 A K H ><5S+ 0 0 150 -4,-2.7 3,-1.2 -5,-0.2 -1,-0.2 0.930 109.9 45.5 -60.8 -44.9 33.9 36.0 58.2 160 160 A K H 3<5S+ 0 0 174 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.794 106.0 61.5 -68.1 -28.3 36.9 33.7 57.9 161 161 A A T 3<5S- 0 0 57 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.573 126.9 -99.0 -74.7 -9.0 38.8 36.0 60.3 162 162 A G T < 5S+ 0 0 65 -3,-1.2 2,-0.2 -4,-0.5 -3,-0.2 0.369 76.3 138.1 109.5 -5.3 36.1 35.3 62.9 163 163 A L < - 0 0 13 -5,-2.2 2,-0.6 -8,-0.1 -1,-0.3 -0.510 55.3-121.4 -78.7 142.8 33.9 38.4 62.6 164 164 A A E -f 136 0A 56 -29,-2.7 -27,-2.3 -2,-0.2 2,-1.0 -0.717 23.9-140.7 -81.9 119.3 30.1 38.1 62.8 165 165 A I E -f 137 0A 37 -2,-0.6 -27,-0.1 -29,-0.2 3,-0.1 -0.739 16.5-172.0 -87.3 105.5 28.7 39.5 59.6 166 166 A L E - 0 0 19 -29,-1.7 2,-0.3 -2,-1.0 -1,-0.2 0.847 48.0 -99.7 -63.6 -37.3 25.5 41.4 60.5 167 167 A G E -f 138 0A 0 -30,-0.9 -28,-2.5 -3,-0.1 2,-0.3 -0.968 43.9 -68.2 146.2-158.2 24.5 42.0 56.9 168 168 A F E -fg 139 193A 0 24,-2.6 26,-2.6 -2,-0.3 27,-1.0 -0.907 20.9-137.1-135.5 162.0 24.8 44.8 54.5 169 169 A V E -fg 140 195A 0 -30,-2.8 -28,-2.1 -2,-0.3 2,-1.1 -0.964 14.5-146.1-116.0 129.1 23.5 48.3 53.7 170 170 A L E -fg 141 196A 0 25,-2.6 27,-2.2 -2,-0.5 3,-0.4 -0.813 31.1-171.6 -96.4 97.0 22.5 49.2 50.1 171 171 A N E + g 0 197A 8 -30,-2.7 28,-0.1 -2,-1.1 -156,-0.0 -0.538 54.9 21.7 -93.8 157.2 23.5 52.9 50.1 172 172 A R E > S+ 0 0 65 25,-0.7 3,-1.2 26,-0.3 2,-0.4 0.826 77.3 172.6 60.9 36.3 22.9 55.6 47.4 173 173 A Y E 3 + g 0 198A 79 24,-1.9 26,-2.5 -3,-0.4 -1,-0.2 -0.604 61.2 31.2 -78.7 131.1 20.0 53.7 45.9 174 174 A G T 3 S+ 0 0 56 -2,-0.4 -1,-0.2 2,-0.3 3,-0.1 0.406 80.3 116.7 103.4 0.3 18.1 55.6 43.3 175 175 A R S < S+ 0 0 150 -3,-1.2 2,-0.3 1,-0.2 -2,-0.1 0.785 84.3 16.6 -69.6 -28.4 21.2 57.5 42.1 176 176 A S > - 0 0 56 -4,-0.2 3,-2.0 1,-0.0 -2,-0.3 -0.997 69.5-125.3-147.3 148.5 20.9 55.9 38.7 177 177 A D T 3 S+ 0 0 171 -2,-0.3 -2,-0.0 1,-0.3 -1,-0.0 0.500 111.9 64.2 -69.0 -1.5 18.3 54.0 36.7 178 178 A R T 3 S+ 0 0 204 2,-0.1 -1,-0.3 3,-0.0 -3,-0.0 0.445 74.3 126.5-100.1 -3.2 20.9 51.3 36.4 179 179 A D < - 0 0 27 -3,-2.0 -35,-0.1 1,-0.1 -6,-0.0 -0.264 67.3-115.6 -59.3 138.9 21.0 50.6 40.1 180 180 A I - 0 0 34 -37,-1.6 -1,-0.1 1,-0.1 5,-0.1 -0.637 36.9-115.8 -76.1 123.0 20.5 46.9 41.1 181 181 A P > - 0 0 63 0, 0.0 4,-2.6 0, 0.0 3,-0.5 -0.232 24.3-109.8 -59.7 150.5 17.2 46.7 43.1 182 182 A P H > S+ 0 0 36 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.856 115.7 53.5 -47.6 -49.2 17.5 45.6 46.8 183 183 A E H > S+ 0 0 166 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.912 115.6 41.4 -57.2 -42.2 15.9 42.2 46.4 184 184 A A H > S+ 0 0 38 -3,-0.5 4,-1.5 2,-0.2 -1,-0.2 0.851 112.2 54.9 -73.0 -36.1 18.5 41.4 43.6 185 185 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.904 108.9 47.9 -64.1 -41.3 21.3 43.0 45.6 186 186 A E H X S+ 0 0 81 -4,-2.9 4,-2.1 1,-0.2 5,-0.4 0.901 107.1 56.4 -65.7 -40.2 20.6 40.8 48.6 187 187 A D H < S+ 0 0 134 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.839 113.8 42.0 -59.4 -32.5 20.5 37.8 46.3 188 188 A V H < S+ 0 0 38 -4,-1.5 -2,-0.2 1,-0.1 -1,-0.2 0.929 111.1 52.4 -79.8 -49.8 24.0 38.8 45.2 189 189 A M H < S- 0 0 3 -4,-2.9 -2,-0.2 2,-0.1 -3,-0.2 0.805 88.3-146.6 -57.4 -35.5 25.5 39.7 48.6 190 190 A E < + 0 0 154 -4,-2.1 -3,-0.1 1,-0.3 -1,-0.1 0.576 68.6 91.9 75.3 9.1 24.5 36.4 50.2 191 191 A V S S- 0 0 30 -5,-0.4 -1,-0.3 1,-0.0 -2,-0.1 -0.943 90.7 -77.6-131.6 154.3 24.0 38.3 53.5 192 192 A P - 0 0 70 0, 0.0 -24,-2.6 0, 0.0 2,-0.9 -0.205 38.5-127.1 -54.0 132.4 20.9 39.9 55.0 193 193 A L E +g 168 0A 41 -26,-0.2 -24,-0.2 1,-0.2 3,-0.1 -0.745 30.5 179.1 -81.8 109.2 19.9 43.3 53.6 194 194 A L E - 0 0 19 -26,-2.6 2,-0.3 -2,-0.9 -25,-0.2 0.742 59.5 -10.2 -86.1 -24.8 19.6 45.4 56.8 195 195 A A E -g 169 0A 12 -27,-1.0 -25,-2.6 37,-0.1 2,-0.6 -0.932 48.5-138.0-173.6 147.9 18.7 48.7 55.2 196 196 A V E -g 170 0A 48 -2,-0.3 -25,-0.2 -27,-0.2 33,-0.1 -0.965 20.4-164.2-112.0 116.2 18.4 50.6 51.9 197 197 A I E -g 171 0A 0 -27,-2.2 -24,-1.9 -2,-0.6 -25,-0.7 -0.911 19.1-138.0-102.3 114.0 19.7 54.2 52.2 198 198 A P E -g 173 0A 30 0, 0.0 2,-0.4 0, 0.0 -26,-0.3 -0.270 25.9 -95.9 -70.8 157.4 18.4 56.2 49.3 199 199 A E + 0 0 67 -26,-2.5 3,-0.1 -27,-0.1 22,-0.1 -0.627 60.5 171.3 -68.0 123.8 20.5 58.7 47.3 200 200 A D >> - 0 0 29 -2,-0.4 3,-2.0 1,-0.1 4,-1.1 -0.915 42.5-147.9-148.2 117.5 19.4 61.8 49.2 201 201 A P H 3> S+ 0 0 106 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.802 100.0 68.6 -50.6 -29.6 20.8 65.4 48.9 202 202 A A H 3> S+ 0 0 3 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.843 96.1 52.6 -59.8 -34.6 19.9 65.8 52.6 203 203 A I H <> S+ 0 0 17 -3,-2.0 4,-2.2 2,-0.2 10,-0.3 0.929 110.1 46.6 -67.5 -45.1 22.6 63.3 53.5 204 204 A R H X S+ 0 0 155 -4,-1.1 4,-2.2 1,-0.2 5,-0.2 0.893 110.4 54.6 -63.2 -39.3 25.2 65.2 51.5 205 205 A E H X S+ 0 0 79 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.919 107.6 49.2 -61.4 -42.8 24.0 68.4 53.2 206 206 A G H X>S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 5,-1.8 0.919 107.6 55.3 -61.9 -43.3 24.5 66.9 56.6 207 207 A T H <5S+ 0 0 38 -4,-2.2 3,-0.4 1,-0.2 -2,-0.2 0.938 112.4 41.5 -53.7 -50.9 28.0 65.8 55.6 208 208 A L H <5S+ 0 0 119 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.808 113.5 54.5 -68.7 -30.5 29.0 69.4 54.7 209 209 A E H <5S- 0 0 97 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.737 106.2-124.0 -76.0 -24.2 27.1 70.8 57.7 210 210 A G T <5S+ 0 0 6 -4,-1.8 -3,-0.2 -3,-0.4 -4,-0.1 0.718 84.4 100.8 84.0 19.5 29.0 68.6 60.2 211 211 A I S > - 0 0 2 0, 0.0 4,-2.6 0, 0.0 3,-2.3 -0.180 22.7-121.6 -50.6 135.8 24.5 63.9 60.3 213 213 A A H 3> S+ 0 0 0 -10,-0.3 4,-1.8 1,-0.3 7,-0.3 0.787 106.9 74.3 -49.4 -33.5 21.2 64.1 58.3 214 214 A V H 34 S+ 0 0 14 1,-0.2 -1,-0.3 2,-0.2 -192,-0.0 0.843 117.6 18.0 -53.3 -31.8 19.5 61.7 60.7 215 215 A K H <4 S+ 0 0 103 -3,-2.3 -2,-0.2 2,-0.1 -1,-0.2 0.798 124.2 55.3-106.0 -41.5 19.4 64.7 63.1 216 216 A Y H < S+ 0 0 85 -4,-2.6 -3,-0.2 1,-0.3 -2,-0.2 0.920 128.2 16.8 -59.8 -47.8 20.0 67.8 60.9 217 217 A K S >< S+ 0 0 79 -4,-1.8 3,-1.8 -5,-0.2 6,-0.4 -0.654 75.6 175.5-129.0 75.5 17.0 66.9 58.6 218 218 A P T 3 S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.564 75.3 52.3 -56.2 -18.0 15.0 64.4 60.6 219 219 A E T 3 S+ 0 0 141 4,-0.1 -5,-0.1 -4,-0.1 2,-0.0 0.416 83.4 110.6-102.7 0.8 12.1 64.1 58.1 220 220 A S S <> S- 0 0 20 -3,-1.8 4,-2.3 -7,-0.3 5,-0.2 -0.360 79.8-116.9 -71.6 156.5 14.3 63.4 55.0 221 221 A K H > S+ 0 0 162 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.883 116.5 52.8 -60.6 -38.8 14.1 59.9 53.5 222 222 A G H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.924 108.1 49.3 -63.0 -45.2 17.8 59.4 54.3 223 223 A A H > S+ 0 0 0 -6,-0.4 4,-1.8 1,-0.2 -2,-0.2 0.940 111.8 48.5 -59.8 -49.3 17.3 60.3 58.0 224 224 A K H X S+ 0 0 99 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.867 108.8 53.4 -61.2 -37.5 14.3 57.9 58.3 225 225 A A H X S+ 0 0 13 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.899 108.8 49.8 -65.4 -39.3 16.2 55.0 56.7 226 226 A F H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.847 106.7 54.6 -68.1 -33.3 19.1 55.5 59.1 227 227 A V H X S+ 0 0 66 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.920 110.2 47.2 -64.8 -41.7 16.7 55.4 62.1 228 228 A K H X S+ 0 0 144 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.886 109.3 53.8 -65.8 -39.1 15.3 52.1 60.8 229 229 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.924 106.8 51.6 -60.5 -44.4 18.9 50.8 60.4 230 230 A A H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.891 108.8 51.4 -59.0 -40.3 19.7 51.7 64.0 231 231 A E H X S+ 0 0 74 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.941 111.5 47.1 -61.9 -47.5 16.6 49.8 65.0 232 232 A E H X S+ 0 0 66 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.903 107.6 55.4 -61.0 -44.9 17.7 46.7 63.0 233 233 A I H < S+ 0 0 0 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.901 108.0 49.7 -56.0 -42.7 21.2 46.8 64.4 234 234 A E H >< S+ 0 0 26 -4,-1.8 3,-1.4 1,-0.2 -1,-0.2 0.882 107.0 55.2 -64.5 -38.8 19.9 46.7 67.9 235 235 A K H 3< S+ 0 0 128 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.826 99.4 60.6 -63.7 -33.8 17.6 43.7 67.1 236 236 A L T 3< 0 0 71 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.407 360.0 360.0 -76.2 3.8 20.6 41.7 65.8 237 237 A A < 0 0 106 -3,-1.4 -3,-0.0 -4,-0.1 0, 0.0 -0.158 360.0 360.0 -60.6 360.0 22.2 41.9 69.3