==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (UREA AMIDO) 20-JUN-95 1KRC . COMPND 2 MOLECULE: UREASE; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA AEROGENES; . AUTHOR E.JABRI,P.A.KARPLUS . 767 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29098.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 518 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 88 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 7 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 53 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 96 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 159 20.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.8 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 2 2 2 4 1 0 1 1 1 1 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 5 3 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 4 6 3 1 0 1 2 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 . 6 2 1 2 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 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 0 181 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -36.0 100.3 78.4 92.8 2 2 A E - 0 0 174 1,-0.2 2,-0.3 2,-0.0 0, 0.0 0.916 360.0-162.1 56.0 51.1 97.5 76.1 91.7 3 3 A L - 0 0 59 4,-0.1 -1,-0.2 1,-0.1 0, 0.0 -0.458 4.2-145.1 -70.1 125.3 94.8 78.4 92.9 4 4 A T > - 0 0 38 -2,-0.3 4,-1.9 1,-0.1 3,-0.4 -0.291 31.9 -98.3 -79.2 169.5 91.4 76.8 93.4 5 5 A P H > S+ 0 0 103 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.914 123.5 54.4 -59.2 -37.5 88.2 78.7 92.8 6 6 A R H > S+ 0 0 122 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.823 106.9 49.7 -65.4 -32.6 87.8 79.5 96.5 7 7 A E H > S+ 0 0 85 -3,-0.4 4,-1.0 2,-0.2 -1,-0.2 0.898 112.0 48.4 -71.9 -40.1 91.2 81.0 96.8 8 8 A K H X S+ 0 0 119 -4,-1.9 4,-0.6 1,-0.2 -2,-0.2 0.804 108.3 55.1 -67.5 -31.9 90.5 83.2 93.7 9 9 A D H >X S+ 0 0 18 -4,-1.9 4,-1.1 1,-0.2 3,-1.0 0.899 104.5 53.0 -69.0 -39.9 87.2 84.2 95.2 10 10 A K H 3X S+ 0 0 37 -4,-1.6 4,-2.7 1,-0.3 -1,-0.2 0.772 98.1 65.4 -66.3 -26.5 88.9 85.4 98.4 11 11 A L H 3X S+ 0 0 93 -4,-1.0 4,-1.9 1,-0.2 -1,-0.3 0.799 99.0 54.0 -64.0 -29.5 91.2 87.6 96.3 12 12 A L H S+ 0 0 48 -4,-1.6 5,-2.3 2,-0.2 4,-0.4 0.882 109.2 50.5 -67.5 -36.0 88.8 105.5 102.2 24 24 A L H ><5S+ 0 0 47 -4,-2.6 3,-1.1 1,-0.2 -1,-0.2 0.874 106.8 55.9 -66.6 -37.6 88.9 105.0 106.0 25 25 A A H 3<5S+ 0 0 85 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.817 103.2 54.4 -62.9 -33.4 92.4 106.4 105.9 26 26 A R T 3<5S- 0 0 169 -4,-1.3 -1,-0.3 -3,-0.1 -2,-0.2 0.587 123.1-111.2 -73.4 -15.5 91.1 109.5 104.1 27 27 A G T < 5 + 0 0 63 -3,-1.1 -3,-0.2 -4,-0.4 2,-0.2 0.715 65.8 149.7 91.8 22.4 88.7 109.8 107.0 28 28 A L < - 0 0 80 -5,-2.3 2,-0.6 1,-0.1 -1,-0.3 -0.520 54.1-110.9 -86.0 155.0 85.5 109.0 105.1 29 29 A K - 0 0 119 -2,-0.2 40,-0.3 40,-0.1 39,-0.1 -0.791 41.6-123.0 -85.7 120.6 82.5 107.3 106.8 30 30 A L B -a 69 0A 0 38,-2.3 40,-3.0 -2,-0.6 43,-0.1 -0.315 20.7-143.3 -67.8 147.2 82.4 103.8 105.3 31 31 A N > - 0 0 7 38,-0.2 4,-1.8 736,-0.1 5,-0.2 -0.173 38.2 -76.6 -93.6-166.4 79.2 102.5 103.6 32 32 A Y H > S+ 0 0 58 733,-2.3 4,-2.1 2,-0.2 5,-0.3 0.985 125.1 37.9 -62.4 -64.4 77.7 99.0 103.6 33 33 A P H > S+ 0 0 22 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.902 115.8 54.4 -58.8 -36.2 80.0 97.0 101.2 34 34 A E H > S+ 0 0 13 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.905 109.7 48.0 -62.5 -41.4 83.1 98.8 102.4 35 35 A S H X S+ 0 0 0 -4,-1.8 4,-2.3 -3,-0.3 5,-0.3 0.939 111.2 47.5 -65.4 -49.5 82.4 97.9 106.0 36 36 A V H X S+ 0 0 9 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.913 114.9 48.0 -59.0 -41.4 81.6 94.2 105.4 37 37 A A H X S+ 0 0 7 -4,-2.2 4,-2.3 -5,-0.3 -20,-0.2 0.909 111.5 49.0 -66.8 -42.7 84.8 93.9 103.3 38 38 A L H X S+ 0 0 22 -4,-2.2 4,-1.6 -5,-0.2 -2,-0.2 0.945 115.1 42.4 -63.7 -51.5 87.1 95.6 105.8 39 39 A I H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.882 114.2 53.3 -63.6 -38.3 85.9 93.6 108.8 40 40 A S H X S+ 0 0 0 -4,-2.1 4,-1.8 -5,-0.3 -2,-0.2 0.900 107.4 49.2 -63.5 -45.4 86.0 90.4 106.8 41 41 A A H X S+ 0 0 12 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.849 106.2 58.5 -63.5 -35.0 89.6 90.9 105.6 42 42 A F H X S+ 0 0 74 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.948 106.5 47.9 -58.8 -47.3 90.7 91.5 109.2 43 43 A I H X S+ 0 0 1 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.880 107.5 55.0 -63.0 -39.0 89.3 88.1 110.2 44 44 A M H X S+ 0 0 20 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.895 109.8 46.3 -62.5 -39.8 91.1 86.4 107.3 45 45 A E H X S+ 0 0 94 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.802 108.0 59.3 -71.9 -27.6 94.4 87.8 108.4 46 46 A G H X>S+ 0 0 3 -4,-1.6 5,-2.2 -5,-0.2 4,-0.7 0.950 107.1 44.5 -64.3 -48.4 93.6 86.8 111.9 47 47 A A H ><5S+ 0 0 1 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.891 108.6 57.7 -62.2 -41.1 93.3 83.2 110.9 48 48 A R H 3<5S+ 0 0 185 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.874 105.9 50.7 -57.2 -37.0 96.5 83.4 108.8 49 49 A D H 3<5S- 0 0 114 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.645 121.8-110.3 -73.8 -18.5 98.3 84.5 112.0 50 50 A G T <<5 + 0 0 36 -3,-1.0 -3,-0.2 -4,-0.7 2,-0.1 0.704 60.2 157.9 96.6 20.0 96.8 81.5 113.9 51 51 A K < - 0 0 68 -5,-2.2 -1,-0.3 -6,-0.1 2,-0.0 -0.509 44.6-106.8 -74.5 151.0 94.4 83.3 116.2 52 52 A S > - 0 0 59 -2,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.307 20.3-113.6 -75.7 161.9 91.6 81.1 117.4 53 53 A V H > S+ 0 0 35 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.938 118.1 54.5 -60.3 -43.5 88.0 81.3 116.3 54 54 A A H > S+ 0 0 73 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.877 107.7 49.4 -58.2 -42.1 87.0 82.5 119.8 55 55 A S H >> S+ 0 0 46 1,-0.2 4,-2.9 2,-0.2 3,-0.8 0.921 111.9 47.2 -63.6 -47.0 89.5 85.3 119.7 56 56 A L H 3X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.879 101.9 63.6 -65.0 -36.8 88.4 86.6 116.3 57 57 A M H 3< S+ 0 0 77 -4,-2.4 39,-0.3 1,-0.2 -1,-0.2 0.778 115.3 34.6 -57.4 -27.2 84.7 86.4 117.2 58 58 A E H X< S+ 0 0 99 -3,-0.8 3,-1.8 -4,-0.7 -2,-0.2 0.877 116.1 50.3 -93.1 -50.4 85.6 89.1 119.8 59 59 A E H >< S+ 0 0 72 -4,-2.9 3,-1.8 1,-0.3 -2,-0.2 0.802 100.1 68.1 -60.4 -29.3 88.3 91.1 118.0 60 60 A G G >< S+ 0 0 0 -4,-2.7 3,-0.6 1,-0.3 -1,-0.3 0.636 90.2 62.7 -66.4 -15.0 86.0 91.4 115.0 61 61 A R G < S+ 0 0 66 -3,-1.8 -1,-0.3 1,-0.2 39,-0.3 0.405 100.0 55.4 -89.2 2.2 83.6 93.7 116.9 62 62 A H G < S+ 0 0 121 -3,-1.8 -1,-0.2 -4,-0.1 -2,-0.1 0.048 78.2 90.9-123.2 27.5 86.3 96.3 117.4 63 63 A V S < S+ 0 0 37 -3,-0.6 2,-0.3 1,-0.3 -2,-0.1 0.899 98.3 12.3 -87.1 -46.7 87.3 97.0 113.8 64 64 A L S S- 0 0 2 34,-0.3 36,-0.5 -4,-0.3 -1,-0.3 -0.971 70.7-149.9-131.6 145.7 84.9 99.9 113.1 65 65 A T > - 0 0 49 -2,-0.3 3,-1.8 35,-0.2 4,-0.3 -0.638 35.8 -98.9-108.5 172.1 82.7 101.9 115.4 66 66 A R G > S+ 0 0 116 1,-0.3 3,-0.8 -2,-0.2 7,-0.1 0.778 121.5 57.7 -61.2 -28.0 79.4 103.5 114.8 67 67 A E G 3 S+ 0 0 145 1,-0.2 -1,-0.3 4,-0.0 4,-0.1 0.489 101.0 57.5 -84.0 -2.2 81.1 106.9 114.3 68 68 A Q G < S+ 0 0 63 -3,-1.8 -38,-2.3 -39,-0.1 2,-0.3 0.380 101.2 62.4-106.1 1.2 83.2 105.6 111.4 69 69 A V B < S-a 30 0A 3 -3,-0.8 -38,-0.2 -40,-0.3 3,-0.1 -0.858 88.9 -91.6-126.1 162.2 80.4 104.4 109.2 70 70 A M > - 0 0 46 -40,-3.0 3,-1.8 -2,-0.3 -2,-0.1 -0.221 59.4 -74.5 -65.6 159.7 77.4 106.0 107.4 71 71 A E T 3 S+ 0 0 123 1,-0.2 -1,-0.2 2,-0.1 32,-0.0 -0.233 117.7 12.6 -57.6 135.4 74.0 106.4 109.0 72 72 A G T 3> S+ 0 0 5 -3,-0.1 4,-0.8 31,-0.1 3,-0.3 0.251 93.9 111.2 82.7 -11.8 72.0 103.2 109.1 73 73 A V T X4 + 0 0 0 -3,-1.8 3,-0.7 1,-0.2 4,-0.5 0.878 69.4 56.8 -64.9 -40.0 75.0 101.0 108.3 74 74 A P G >4 S+ 0 0 12 0, 0.0 3,-0.7 0, 0.0 25,-0.3 0.857 108.5 48.6 -61.3 -32.1 75.4 99.2 111.7 75 75 A E G 34 S+ 0 0 78 -3,-0.3 -2,-0.2 1,-0.2 28,-0.1 0.695 102.8 61.5 -78.7 -21.9 71.8 98.0 111.5 76 76 A M G << S+ 0 0 16 -4,-0.8 -1,-0.2 -3,-0.7 3,-0.1 0.542 104.2 55.2 -79.7 -7.2 72.3 96.7 107.9 77 77 A I < + 0 0 3 -3,-0.7 22,-0.4 -4,-0.5 -1,-0.2 -0.711 54.8 162.8-127.9 79.5 75.0 94.4 109.4 78 78 A P S S- 0 0 74 0, 0.0 19,-3.5 0, 0.0 2,-0.3 0.767 77.6 -11.5 -68.0 -23.0 73.5 92.2 112.2 79 79 A D E -B 96 0B 51 17,-0.3 2,-0.4 18,-0.2 17,-0.2 -0.972 60.4-139.4-164.9 167.5 76.5 89.9 111.7 80 80 A I E -B 95 0B 4 15,-1.9 15,-2.5 -2,-0.3 2,-0.4 -0.997 17.0-168.1-139.1 137.4 79.5 89.1 109.5 81 81 A Q E +B 94 0B 29 -2,-0.4 590,-2.6 588,-0.3 2,-0.3 -0.986 13.8 156.3-131.2 140.6 80.7 85.7 108.5 82 82 A V E -B 93 0B 0 11,-1.6 11,-2.6 -2,-0.4 2,-0.3 -0.982 24.1-144.3-157.7 152.3 83.9 84.5 106.8 83 83 A E E +B 92 0B 11 588,-0.5 2,-0.3 -2,-0.3 9,-0.2 -0.907 22.3 164.2-120.2 152.5 86.0 81.4 106.6 84 84 A A E -B 91 0B 14 7,-1.2 7,-1.7 -2,-0.3 2,-0.7 -0.950 46.1 -86.0-158.2 162.7 89.8 81.1 106.3 85 85 A T E -B 90 0B 102 -2,-0.3 5,-0.2 5,-0.2 -35,-0.1 -0.740 45.1-172.2 -82.7 111.8 92.4 78.4 106.7 86 86 A F E > -B 89 0B 8 3,-2.2 3,-1.8 -2,-0.7 -38,-0.1 -0.385 46.5 -92.3 -90.4 173.5 93.5 78.3 110.4 87 87 A P T 3 S+ 0 0 110 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.858 132.5 48.0 -56.6 -31.7 96.4 76.1 111.5 88 88 A D T 3 S- 0 0 108 1,-0.3 2,-0.0 -38,-0.0 -3,-0.0 -0.127 125.6 -93.2-100.4 37.3 93.8 73.4 112.1 89 89 A G E < S-B 86 0B 30 -3,-1.8 -3,-2.2 2,-0.0 -1,-0.3 -0.220 73.5 -14.4 84.6-178.2 92.0 73.8 108.7 90 90 A S E +B 85 0B 62 -5,-0.2 2,-0.3 -3,-0.1 -5,-0.2 -0.402 64.5 172.5 -62.2 130.9 89.0 75.9 107.5 91 91 A K E -B 84 0B 80 -7,-1.7 -7,-1.2 -2,-0.2 2,-0.4 -0.929 28.6-122.2-136.7 159.9 86.8 77.3 110.2 92 92 A L E -B 83 0B 42 -2,-0.3 2,-0.5 -9,-0.2 -9,-0.2 -0.882 18.2-160.6-107.8 130.5 83.9 79.8 110.2 93 93 A V E -B 82 0B 0 -11,-2.6 -11,-1.6 -2,-0.4 2,-0.5 -0.948 5.3-169.8-113.0 122.8 84.0 83.0 112.2 94 94 A T E -B 81 0B 27 -2,-0.5 2,-0.5 -13,-0.2 -13,-0.2 -0.964 2.0-167.2-111.8 127.9 80.7 84.7 113.0 95 95 A V E -B 80 0B 0 -15,-2.5 -15,-1.9 -2,-0.5 2,-0.4 -0.982 13.0-149.1-115.8 114.2 80.9 88.2 114.4 96 96 A H E S-B 79 0B 118 -2,-0.5 -17,-0.3 -39,-0.3 -2,-0.0 -0.725 74.2 -8.3 -88.0 139.5 77.5 89.3 115.9 97 97 A N S S- 0 0 97 -19,-3.5 -1,-0.3 -2,-0.4 -18,-0.2 0.936 76.8-178.4 39.8 64.3 76.6 93.0 115.8 98 98 A P + 0 0 0 0, 0.0 2,-0.5 0, 0.0 -34,-0.3 0.803 60.7 60.4 -61.2 -32.8 80.2 93.9 114.6 99 99 A I 0 0 6 -22,-0.4 -34,-0.2 -25,-0.3 -22,-0.1 -0.893 360.0 360.0-107.4 122.9 79.5 97.7 114.6 100 100 A I 0 0 104 -2,-0.5 -35,-0.2 -36,-0.5 -1,-0.2 0.441 360.0 360.0-140.1 360.0 78.5 99.5 117.7 101 !* 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 0.0 102 1 B M 0 0 62 0, 0.0 125,-0.1 0, 0.0 127,-0.0 0.000 360.0 360.0 360.0 116.2 66.8 106.7 109.6 103 2 B I > - 0 0 62 123,-0.1 3,-1.7 -28,-0.1 121,-0.2 -0.993 360.0-112.3-129.6 117.5 67.3 103.0 109.4 104 3 B P T 3 S+ 0 0 8 0, 0.0 536,-0.3 0, 0.0 123,-0.3 -0.267 95.9 1.6 -52.0 132.1 67.0 101.4 105.9 105 4 B G T 3 S+ 0 0 10 121,-2.5 535,-0.3 534,-0.4 122,-0.1 0.646 90.5 168.4 64.4 20.1 63.9 99.2 105.6 106 5 B E < - 0 0 57 -3,-1.7 118,-2.8 120,-0.3 2,-0.2 -0.276 28.0-130.6 -68.8 149.4 62.7 99.8 109.1 107 6 B Y E -C 223 0C 62 116,-0.2 2,-0.3 2,-0.0 116,-0.3 -0.616 8.3-158.0 -92.7 159.8 59.3 98.7 110.3 108 7 B H E -C 222 0C 113 114,-2.7 114,-2.1 -2,-0.2 2,-0.4 -0.777 22.3-171.1-139.2 77.5 56.8 100.8 112.1 109 8 B V - 0 0 22 -2,-0.3 112,-0.1 112,-0.2 100,-0.1 -0.651 23.0-124.5 -75.6 127.0 54.7 98.1 113.8 110 9 B K - 0 0 102 -2,-0.4 98,-0.1 1,-0.1 111,-0.1 -0.535 34.6-108.1 -73.4 137.8 51.6 99.4 115.4 111 10 B P S S+ 0 0 124 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.256 72.5 70.4 -64.7 157.5 51.4 98.4 119.1 112 11 B G S S- 0 0 44 2,-0.0 96,-2.2 0, 0.0 97,-0.3 -0.920 71.3 -77.5 136.5-158.8 49.0 95.7 120.4 113 12 B Q E -E 207 0D 124 -2,-0.3 2,-0.4 94,-0.3 94,-0.2 -0.950 20.5-131.3-143.7 161.0 48.5 92.0 120.1 114 13 B I E -E 206 0D 8 92,-3.2 92,-1.9 -2,-0.3 2,-0.5 -0.939 19.9-139.3-114.8 132.3 47.3 89.3 117.8 115 14 B A E -E 205 0D 46 -2,-0.4 3,-0.3 90,-0.2 2,-0.3 -0.815 24.3-144.7 -92.0 128.2 44.8 86.6 119.1 116 15 B L - 0 0 8 88,-2.5 126,-0.2 -2,-0.5 125,-0.1 -0.751 64.3 -1.5-102.1 146.1 45.7 83.2 117.6 117 16 B N S > S- 0 0 8 124,-2.3 3,-0.8 -2,-0.3 -1,-0.2 0.868 82.3-168.1 48.1 50.4 43.4 80.3 116.6 118 17 B T T 3 + 0 0 106 -3,-0.3 -1,-0.1 123,-0.3 3,-0.1 -0.327 59.3 20.8 -71.1 144.3 40.2 82.1 117.6 119 18 B G T 3 S+ 0 0 90 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.737 95.2 120.8 73.0 26.7 36.9 80.4 117.8 120 19 B R < - 0 0 50 -3,-0.8 -1,-0.2 66,-0.0 2,-0.1 -0.930 68.9 -99.7-127.1 146.6 38.3 76.9 118.1 121 20 B A + 0 0 58 -2,-0.4 63,-2.6 64,-0.1 2,-0.3 -0.339 44.1 178.4 -61.5 136.5 38.0 74.2 120.8 122 21 B T E -F 183 0E 63 61,-0.2 2,-0.3 38,-0.1 61,-0.2 -0.914 8.9-175.3-136.5 160.1 41.0 74.0 123.2 123 22 B C E -F 182 0E 16 59,-1.4 59,-3.4 -2,-0.3 2,-0.4 -0.971 21.2-125.2-152.3 159.2 41.8 71.9 126.3 124 23 B R E -F 181 0E 136 -2,-0.3 2,-0.4 57,-0.2 57,-0.2 -0.911 24.3-174.6-112.7 141.3 44.5 71.7 128.9 125 24 B V E -F 180 0E 10 55,-2.5 55,-2.6 -2,-0.4 2,-0.6 -0.999 24.5-131.8-137.9 133.5 46.5 68.6 129.6 126 25 B V E -F 179 0E 76 -2,-0.4 2,-0.4 53,-0.2 27,-0.3 -0.808 33.8-169.8 -83.5 121.0 49.1 67.9 132.2 127 26 B V E -F 178 0E 0 51,-3.2 51,-2.9 -2,-0.6 2,-0.4 -0.916 9.9-170.4-118.1 143.1 52.1 66.2 130.5 128 27 B E E -FG 177 151E 50 23,-1.7 23,-3.1 -2,-0.4 2,-0.7 -0.981 20.0-136.2-137.5 129.0 55.2 64.5 131.9 129 28 B N E + G 0 150E 0 47,-2.9 46,-1.7 -2,-0.4 21,-0.2 -0.681 24.0 172.0 -83.7 110.4 58.4 63.3 130.3 130 29 B H + 0 0 106 19,-3.1 -1,-0.2 -2,-0.7 20,-0.1 0.425 51.2 97.5 -94.1 -5.4 59.2 59.9 131.7 131 30 B G S S- 0 0 19 18,-0.3 44,-0.5 2,-0.2 4,-0.1 -0.307 77.6-128.2 -78.1 172.2 62.1 59.4 129.2 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284 C I G >< S+ 0 0 8 -4,-1.7 3,-1.9 1,-0.3 4,-0.2 0.821 70.8 73.9 -61.8 -23.1 58.9 116.8 71.9 487 285 C I G > S+ 0 0 0 -11,-0.4 3,-1.7 -3,-0.4 -1,-0.3 0.787 76.5 75.5 -61.0 -25.7 57.6 116.6 75.5 488 286 C T G X S+ 0 0 23 -3,-1.7 3,-1.6 1,-0.3 -1,-0.3 0.661 73.2 84.7 -62.3 -13.3 54.2 117.9 74.4 489 287 C A G X S+ 0 0 2 -3,-1.9 3,-2.1 1,-0.3 -1,-0.3 0.835 70.6 76.0 -60.0 -28.2 53.5 114.4 73.0 490 288 C C G < S+ 0 0 0 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.1 0.528 81.6 70.7 -63.0 -5.3 52.3 113.2 76.4 491 289 C A G < S+ 0 0 27 -3,-1.6 -1,-0.3 242,-0.2 -2,-0.1 0.600 80.4 92.2 -86.7 -12.7 49.0 115.1 75.9 492 290 C H S X S- 0 0 67 -3,-2.1 3,-1.3 -4,-0.2 232,-0.1 -0.653 71.1-138.5 -93.1 140.1 47.7 112.7 73.2 493 291 C P T 3 S+ 0 0 56 0, 0.0 231,-3.1 0, 0.0 232,-0.3 0.721 103.3 50.8 -64.0 -23.6 45.5 109.7 73.8 494 292 C N T 3 S+ 0 0 17 229,-0.2 -24,-2.0 230,-0.1 2,-0.5 0.455 91.4 93.0 -94.2 -2.9 47.4 107.5 71.2 495 293 C I E < -d 470 0L 0 -3,-1.3 -24,-0.2 -6,-0.2 -26,-0.1 -0.824 55.7-163.4 -97.4 126.8 50.9 108.2 72.7 496 294 C L E -d 471 0L 0 -26,-2.5 -24,-1.3 -2,-0.5 2,-0.3 -0.917 24.5-158.1-108.3 97.9 52.4 105.9 75.2 497 295 C P E +d 472 0L 0 0, 0.0 60,-1.5 0, 0.0 61,-1.3 -0.650 15.7 176.0 -85.8 138.3 55.2 108.1 76.7 498 296 C S E -e 558 0M 0 -26,-1.8 -23,-2.6 -2,-0.3 2,-0.3 -0.915 20.2-136.9-136.1 159.6 58.3 106.9 78.5 499 297 C S E -e 559 0M 0 59,-1.9 61,-1.3 -2,-0.3 2,-0.3 -0.786 15.2-134.4-110.4 155.9 61.5 108.3 80.0 500 298 C T E > -e 560 0M 5 -2,-0.3 3,-0.6 59,-0.2 61,-0.2 -0.782 31.4-114.5-102.1 158.2 65.0 107.0 79.7 501 299 C N G > S+ 0 0 1 59,-0.9 3,-1.9 60,-0.7 66,-0.1 0.669 93.3 77.4 -79.9 -17.7 66.9 106.9 83.0 502 300 C P G 3 S+ 0 0 4 0, 0.0 -1,-0.2 0, 0.0 65,-0.1 0.811 99.3 49.7 -65.0 -19.1 69.9 109.2 83.0 503 301 C T G < S+ 0 0 2 -3,-0.6 -2,-0.1 3,-0.1 45,-0.1 0.460 86.7 127.2 -92.3 -0.5 67.6 112.3 83.5 504 302 C L S < S+ 0 0 1 -3,-1.9 74,-0.1 1,-0.1 2,-0.1 -0.902 73.3 11.3-108.5 116.0 65.8 110.6 86.4 505 303 C P S S- 0 0 1 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.765 90.6-114.2 -97.4 179.4 65.7 112.3 88.8 506 304 C Y + 0 0 9 38,-0.2 251,-2.1 39,-0.1 2,-0.2 -0.520 50.0 164.2 -71.1 120.0 66.9 115.9 88.3 507 305 C T B > -f 757 0N 30 -2,-0.4 3,-0.6 249,-0.3 4,-0.4 -0.750 50.5 -94.6-130.3 179.7 70.1 116.4 90.3 508 306 C L T 3 S+ 0 0 101 249,-2.6 4,-0.3 -2,-0.2 3,-0.2 0.765 120.6 43.2 -67.7 -32.5 73.0 118.8 90.5 509 307 C N T 3> S+ 0 0 123 248,-0.3 4,-2.1 1,-0.1 5,-0.2 0.466 87.9 97.0 -95.1 0.6 75.4 116.9 88.2 510 308 C T H <> S+ 0 0 2 -3,-0.6 4,-1.7 1,-0.2 -1,-0.1 0.896 85.3 40.1 -54.8 -54.6 72.8 116.1 85.6 511 309 C I H > S+ 0 0 25 -4,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.911 114.2 52.6 -66.6 -43.0 73.4 118.9 83.1 512 310 C D H > S+ 0 0 111 -4,-0.3 4,-0.7 1,-0.2 -1,-0.2 0.914 112.4 44.6 -59.1 -48.4 77.2 118.8 83.3 513 311 C E H X S+ 0 0 65 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.850 110.1 58.5 -64.4 -37.4 77.4 115.1 82.6 514 312 C H H X S+ 0 0 0 -4,-1.7 4,-2.4 -5,-0.2 -2,-0.2 0.850 92.2 61.2 -65.7 -41.5 74.9 115.4 79.8 515 313 C L H < S+ 0 0 72 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.1 0.903 113.7 39.2 -53.6 -42.2 76.5 117.9 77.4 516 314 C D H X S+ 0 0 125 -4,-0.7 4,-0.8 -3,-0.2 -1,-0.2 0.746 111.1 55.6 -80.2 -29.2 79.4 115.4 77.0 517 315 C M H X S+ 0 0 43 -4,-1.2 2,-1.8 1,-0.2 4,-1.4 0.883 95.4 71.0 -69.7 -41.3 77.5 112.2 77.0 518 316 C L H < S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 20,-0.1 -0.629 97.2 49.0 -78.6 84.8 75.4 113.5 74.0 519 317 C M H >>S+ 0 0 19 -2,-1.8 5,-2.2 5,-0.0 4,-1.0 -0.307 102.9 51.6-177.1 -70.2 78.3 113.3 71.6 520 318 C V H <5S+ 0 0 123 -4,-0.8 3,-0.3 3,-0.2 -2,-0.2 0.844 112.1 51.7 -54.0 -38.2 79.8 109.8 71.9 521 319 C C T <5S+ 0 0 22 -4,-1.4 -1,-0.2 1,-0.2 -3,-0.1 0.989 112.5 38.1 -65.0 -66.3 76.3 108.3 71.5 522 320 C A T 45S- 0 0 17 1,-0.1 -1,-0.2 -153,-0.1 -2,-0.2 0.450 112.3-112.4 -68.1 0.3 75.0 110.0 68.3 523 321 C H T <5 + 0 0 94 -4,-1.0 -3,-0.2 -3,-0.3 2,-0.1 0.897 62.8 163.2 67.3 45.3 78.5 109.8 66.7 524 322 C L < - 0 0 38 -5,-2.2 -1,-0.1 7,-0.1 8,-0.1 -0.382 36.4-129.6 -93.0 172.8 78.8 113.6 66.8 525 323 C D - 0 0 59 3,-0.2 3,-0.4 -2,-0.1 6,-0.3 -0.948 2.6-157.8-131.4 114.8 81.8 116.0 66.4 526 324 C P S S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.611 95.9 56.4 -60.3 -19.8 82.5 118.9 68.9 527 325 C D S S+ 0 0 145 4,-0.1 2,-0.6 1,-0.0 5,-0.1 0.896 89.4 78.9 -80.6 -43.8 84.5 120.7 66.3 528 326 C I S >> S- 0 0 76 -3,-0.4 3,-1.2 1,-0.2 4,-0.7 -0.540 75.7-148.5 -70.3 113.7 81.7 120.8 63.7 529 327 C A H >> S+ 0 0 55 -2,-0.6 4,-3.0 1,-0.3 3,-1.7 0.890 96.5 52.9 -48.5 -50.0 79.5 123.7 64.9 530 328 C E H 3> S+ 0 0 147 1,-0.3 4,-0.5 2,-0.2 -1,-0.3 0.740 105.2 57.2 -61.6 -23.4 76.3 122.1 63.5 531 329 C D H <4 S+ 0 0 44 -3,-1.2 -1,-0.3 -6,-0.3 -2,-0.2 0.624 119.5 29.3 -82.3 -12.9 77.2 119.0 65.5 532 330 C V H XX S+ 0 0 48 -3,-1.7 4,-0.9 -4,-0.7 3,-0.9 0.623 100.8 77.3-118.5 -21.4 77.3 120.9 68.7 533 331 C A H 3< S+ 0 0 72 -4,-3.0 4,-0.4 1,-0.3 3,-0.2 0.842 99.3 46.5 -60.5 -35.9 74.8 123.8 68.3 534 332 C F T 3X S+ 0 0 30 -4,-0.5 4,-1.9 -5,-0.2 -1,-0.3 0.615 92.2 80.1 -84.2 -9.1 71.9 121.5 68.9 535 333 C A H <> S+ 0 0 10 -3,-0.9 4,-2.1 1,-0.3 3,-0.4 0.954 98.7 43.2 -59.7 -46.7 73.5 119.9 71.9 536 334 C E H < S+ 0 0 151 -4,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.727 113.3 52.2 -69.3 -24.9 72.4 123.0 73.9 537 335 C S H 4 S+ 0 0 25 -4,-0.4 -1,-0.2 1,-0.1 -2,-0.2 0.713 113.2 45.2 -82.1 -21.9 69.0 122.8 72.2 538 336 C R H < S+ 0 0 9 -4,-1.9 2,-0.8 -3,-0.4 -2,-0.2 0.754 106.1 60.7 -91.1 -30.9 68.7 119.1 73.2 539 337 C I < + 0 0 12 -4,-2.1 2,-0.5 -5,-0.2 -1,-0.2 -0.877 68.5 168.5-104.4 105.9 69.8 119.4 76.8 540 338 C R > - 0 0 3 -2,-0.8 4,-2.1 1,-0.1 3,-0.5 -0.968 34.1-155.6-126.7 121.1 67.4 121.7 78.6 541 339 C R H > S+ 0 0 131 -2,-0.5 4,-2.2 1,-0.2 5,-0.2 0.888 95.9 62.3 -54.6 -41.1 67.2 122.2 82.4 542 340 C E H > S+ 0 0 74 1,-0.2 4,-1.2 2,-0.2 203,-0.3 0.868 109.9 34.9 -54.6 -48.8 63.6 123.3 81.9 543 341 C T H > S+ 0 0 0 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.798 112.9 60.9 -79.6 -28.1 62.3 120.1 80.5 544 342 C I H X S+ 0 0 0 -4,-2.1 4,-0.7 1,-0.2 -2,-0.2 0.875 108.9 43.3 -65.6 -36.3 64.6 118.0 82.6 545 343 C A H X S+ 0 0 2 -4,-2.2 4,-1.0 -5,-0.2 3,-0.2 0.830 111.6 53.2 -78.1 -34.1 62.9 119.4 85.8 546 344 C A H X S+ 0 0 0 -4,-1.2 4,-2.7 -5,-0.2 5,-0.2 0.856 97.3 67.8 -69.1 -34.5 59.4 119.1 84.4 547 345 C E H X S+ 0 0 1 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.868 96.8 51.7 -52.2 -45.7 59.8 115.4 83.6 548 346 C D H X S+ 0 0 1 -4,-0.7 4,-2.0 -3,-0.2 3,-0.3 0.943 112.4 46.2 -59.1 -46.4 60.0 114.4 87.3 549 347 C V H X S+ 0 0 7 -4,-1.0 4,-1.9 1,-0.2 -2,-0.2 0.911 108.4 56.4 -63.5 -41.9 56.8 116.2 88.0 550 348 C L H X>S+ 0 0 0 -4,-2.7 5,-2.6 1,-0.2 6,-1.3 0.804 106.8 49.8 -61.6 -31.8 55.1 114.7 85.0 551 349 C H H ><5S+ 0 0 2 -4,-1.6 3,-1.2 -3,-0.3 -1,-0.2 0.948 108.0 52.7 -71.0 -45.5 55.9 111.2 86.3 552 350 C D H 3<5S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.823 111.6 47.5 -58.4 -33.2 54.5 112.1 89.7 553 351 C L H 3<5S- 0 0 49 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.623 115.8-113.3 -83.7 -14.1 51.3 113.3 88.0 554 352 C G T <<5S+ 0 0 0 -3,-1.2 178,-1.3 -4,-0.7 -3,-0.2 0.637 84.2 119.9 90.0 14.3 50.9 110.2 85.7 555 353 C A S - 0 0 4 -226,-1.5 3,-2.1 5,-0.2 -225,-0.2 0.813 39.8-130.4 87.8 52.1 68.3 103.3 76.8 563 361 C S T 3 - 0 0 0 -227,-1.0 5,-0.2 1,-0.3 -225,-0.2 -0.064 69.0 -18.3 -45.4 117.4 71.2 100.9 77.6 564 362 C Q T 3 S+ 0 0 105 3,-1.8 -1,-0.3 1,-0.1 4,-0.1 0.604 122.9 84.0 58.2 20.6 74.7 102.2 76.7 565 363 C A S < S- 0 0 3 -3,-2.1 -2,-0.1 2,-0.2 -1,-0.1 -0.397 128.6 -41.7-145.8 55.9 73.2 104.9 74.5 566 364 C M S S+ 0 0 9 1,-0.3 2,-0.3 -65,-0.0 -3,-0.1 0.870 122.6 82.1 81.8 48.1 72.4 107.5 77.1 567 365 C G S S- 0 0 12 -66,-0.1 -3,-1.8 -65,-0.1 2,-0.7 -0.941 72.7-121.5-172.4 154.1 71.1 105.2 79.7 568 366 C R > - 0 0 77 -7,-0.3 3,-2.3 -2,-0.3 -5,-0.1 -0.880 15.0-157.4-111.8 105.1 72.1 102.8 82.5 569 367 C V T 3 S+ 0 0 16 -2,-0.7 3,-0.4 1,-0.3 -1,-0.1 0.723 91.8 45.7 -50.5 -29.4 70.9 99.3 82.1 570 368 C G T 3 S+ 0 0 22 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.354 104.0 64.3-101.0 10.6 71.0 98.4 85.7 571 369 C E <> + 0 0 56 -3,-2.3 4,-2.0 1,-0.1 5,-0.2 0.127 61.9 103.7-121.6 25.6 69.4 101.5 87.1 572 370 C V H > S+ 0 0 2 -3,-0.4 4,-1.2 2,-0.2 -1,-0.1 0.927 92.5 35.3 -71.4 -44.2 65.8 101.5 85.8 573 371 C I H > S+ 0 0 3 2,-0.2 4,-2.0 1,-0.1 3,-0.3 0.965 117.5 53.7 -72.0 -51.2 64.2 100.4 89.1 574 372 C L H > S+ 0 0 13 -4,-0.3 4,-1.6 1,-0.2 -2,-0.2 0.895 111.6 43.6 -49.2 -54.0 66.6 102.3 91.2 575 373 C R H X S+ 0 0 37 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.794 106.5 60.6 -68.2 -30.4 66.0 105.7 89.4 576 374 C T H X S+ 0 0 2 -4,-1.2 4,-1.8 -3,-0.3 -1,-0.2 0.945 110.1 42.5 -62.7 -43.6 62.2 105.2 89.3 577 375 C W H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.818 108.4 58.4 -72.4 -30.6 62.2 105.1 93.1 578 376 C Q H X S+ 0 0 7 -4,-1.6 4,-2.4 -5,-0.2 -1,-0.2 0.899 107.0 48.9 -64.3 -38.2 64.6 107.9 93.5 579 377 C V H X S+ 0 0 2 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.909 110.7 50.9 -64.8 -43.3 62.2 110.1 91.5 580 378 C A H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.935 111.0 48.1 -59.4 -47.1 59.3 109.0 93.8 581 379 C H H X S+ 0 0 23 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.940 113.3 47.6 -57.6 -50.4 61.4 109.9 96.9 582 380 C R H X S+ 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