==== 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 17-FEB-98 1A5M . COMPND 2 MOLECULE: UREASE (GAMMA SUBUNIT); . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA AEROGENES; . AUTHOR M.A.PEARSON,R.A.SCHALLER,L.O.MICHEL,P.A.KARPLUS,R.P.HAUSINGE . 767 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29090.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 526 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 8.3 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 . 54 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 98 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 164 21.4 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 1 3 1 2 4 1 1 0 2 1 1 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 4 3 4 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 . 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 . 5 3 1 1 1 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 0 180 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -34.2 100.2 78.4 92.9 2 2 A E - 0 0 175 1,-0.2 2,-0.3 2,-0.0 0, 0.0 0.937 360.0-159.9 55.2 53.0 97.4 76.0 91.7 3 3 A L - 0 0 60 4,-0.1 -1,-0.2 1,-0.1 0, 0.0 -0.467 2.5-146.8 -70.9 125.8 94.7 78.4 92.9 4 4 A T >> - 0 0 38 -2,-0.3 4,-1.9 1,-0.1 3,-0.6 -0.374 32.5 -97.7 -81.9 167.2 91.3 76.8 93.4 5 5 A P H 3> S+ 0 0 105 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.887 123.4 54.6 -57.0 -38.5 88.1 78.7 92.8 6 6 A R H 3> S+ 0 0 120 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.834 107.2 49.4 -65.6 -32.5 87.7 79.4 96.5 7 7 A E H <> S+ 0 0 88 -3,-0.6 4,-1.0 2,-0.2 -1,-0.2 0.883 112.0 48.1 -72.4 -40.8 91.2 81.0 96.8 8 8 A K H X S+ 0 0 121 -4,-1.9 4,-0.6 2,-0.2 -2,-0.2 0.831 109.6 53.7 -67.7 -32.4 90.5 83.2 93.7 9 9 A D H >X S+ 0 0 19 -4,-1.9 3,-1.3 -5,-0.2 4,-1.2 0.912 105.1 53.5 -68.3 -42.3 87.1 84.2 95.2 10 10 A K H 3X S+ 0 0 39 -4,-1.7 4,-2.4 1,-0.3 -1,-0.2 0.785 98.1 65.0 -63.7 -26.4 88.8 85.3 98.4 11 11 A L H 3X S+ 0 0 93 -4,-1.0 4,-1.9 1,-0.2 -1,-0.3 0.783 98.3 55.5 -66.0 -25.8 91.1 87.5 96.3 12 12 A L H S+ 0 0 47 -4,-1.8 5,-2.1 2,-0.2 4,-0.7 0.895 108.8 51.4 -67.8 -39.4 88.8 105.4 102.1 24 24 A L H ><5S+ 0 0 48 -4,-2.8 3,-1.1 1,-0.2 -1,-0.2 0.906 106.7 56.6 -63.0 -38.6 88.8 105.0 105.9 25 25 A A H 3<5S+ 0 0 88 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.816 102.2 54.2 -61.6 -35.4 92.4 106.4 105.8 26 26 A R H 3<5S- 0 0 168 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.636 124.6-105.2 -72.6 -18.1 91.2 109.6 104.1 27 27 A G T <<5 + 0 0 63 -3,-1.1 -3,-0.2 -4,-0.7 2,-0.2 0.690 67.9 151.0 100.8 22.3 88.6 110.0 106.9 28 28 A L < - 0 0 78 -5,-2.1 2,-0.7 1,-0.0 -1,-0.2 -0.523 52.2-115.7 -86.7 153.7 85.5 108.9 105.1 29 29 A K - 0 0 124 -2,-0.2 40,-0.3 40,-0.1 39,-0.1 -0.820 42.1-124.2 -86.7 115.6 82.5 107.3 106.8 30 30 A L B -a 69 0A 0 38,-2.3 40,-2.8 -2,-0.7 43,-0.1 -0.266 19.6-140.3 -64.8 149.3 82.4 103.8 105.2 31 31 A N > - 0 0 8 38,-0.2 4,-2.4 736,-0.1 5,-0.2 -0.288 37.7 -78.4 -95.2-171.8 79.2 102.5 103.5 32 32 A Y H > S+ 0 0 58 733,-1.8 4,-2.1 1,-0.2 5,-0.2 0.946 126.0 39.1 -57.9 -60.8 77.7 99.0 103.6 33 33 A P H > S+ 0 0 20 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.886 116.1 53.4 -61.6 -34.3 80.0 97.1 101.1 34 34 A E H > S+ 0 0 13 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.933 109.5 48.1 -64.5 -45.0 83.1 98.9 102.4 35 35 A S H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 5,-0.3 0.916 112.2 47.7 -62.0 -46.3 82.4 98.0 106.0 36 36 A V H X S+ 0 0 9 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.916 113.9 47.9 -62.1 -43.6 81.7 94.3 105.3 37 37 A A H X S+ 0 0 5 -4,-2.1 4,-2.3 -5,-0.2 -20,-0.2 0.905 111.2 50.5 -64.9 -42.0 84.8 94.0 103.2 38 38 A L H X S+ 0 0 20 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.909 115.2 40.6 -64.0 -46.5 87.0 95.7 105.8 39 39 A I H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.898 114.4 53.4 -70.4 -40.6 85.9 93.5 108.7 40 40 A S H X S+ 0 0 0 -4,-2.3 4,-1.8 -5,-0.3 -2,-0.2 0.922 108.6 48.7 -59.6 -47.0 85.9 90.3 106.7 41 41 A A H X S+ 0 0 14 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.881 107.2 57.5 -61.0 -38.9 89.5 90.8 105.5 42 42 A F H X S+ 0 0 72 -4,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.919 106.6 47.8 -57.0 -47.9 90.6 91.5 109.1 43 43 A I H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.888 107.7 55.7 -63.0 -39.9 89.3 88.1 110.2 44 44 A M H X S+ 0 0 20 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.875 109.4 46.0 -61.7 -39.0 91.0 86.3 107.3 45 45 A E H X S+ 0 0 96 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.815 107.4 59.3 -72.6 -30.2 94.4 87.8 108.4 46 46 A G H X>S+ 0 0 4 -4,-1.7 5,-2.1 1,-0.2 4,-0.9 0.951 106.9 46.3 -61.4 -47.4 93.6 86.8 111.9 47 47 A A H ><5S+ 0 0 1 -4,-2.3 3,-0.6 1,-0.2 -1,-0.2 0.871 108.9 54.9 -62.1 -40.1 93.3 83.2 110.9 48 48 A R H 3<5S+ 0 0 189 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.861 106.6 52.1 -62.5 -34.1 96.5 83.4 108.9 49 49 A D H 3<5S- 0 0 116 -4,-1.9 -1,-0.3 -3,-0.2 -2,-0.2 0.699 122.2-110.6 -73.4 -21.5 98.2 84.7 112.1 50 50 A G T <<5 + 0 0 38 -4,-0.9 -3,-0.2 -3,-0.6 -2,-0.1 0.635 60.8 156.5 101.0 16.0 96.8 81.6 113.9 51 51 A K < - 0 0 71 -5,-2.1 -1,-0.2 -6,-0.1 2,-0.1 -0.401 45.0-105.3 -71.3 154.2 94.3 83.3 116.2 52 52 A S > - 0 0 61 1,-0.1 4,-2.0 -2,-0.1 5,-0.2 -0.338 20.8-115.2 -77.9 160.8 91.5 81.1 117.5 53 53 A V H > S+ 0 0 37 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.943 117.3 53.4 -58.9 -45.1 87.9 81.3 116.2 54 54 A A H > S+ 0 0 71 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.874 107.0 50.4 -58.0 -43.7 86.8 82.5 119.7 55 55 A S H >> S+ 0 0 49 1,-0.2 4,-2.9 2,-0.2 3,-0.9 0.942 112.4 46.7 -61.4 -47.7 89.3 85.4 119.7 56 56 A L H 3X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.3 -2,-0.2 0.863 101.3 63.7 -64.9 -36.6 88.2 86.6 116.3 57 57 A M H 3< S+ 0 0 73 -4,-2.4 39,-0.3 -5,-0.2 -1,-0.3 0.783 115.8 35.0 -57.5 -25.9 84.5 86.4 117.1 58 58 A E H X< S+ 0 0 102 -3,-0.9 3,-2.2 -4,-0.8 -2,-0.2 0.904 116.1 49.8 -90.9 -58.2 85.4 89.1 119.7 59 59 A E H >< S+ 0 0 71 -4,-2.9 3,-1.9 1,-0.3 -3,-0.2 0.791 99.6 69.5 -53.8 -30.8 88.1 91.1 118.0 60 60 A G G >< S+ 0 0 0 -4,-2.8 3,-0.7 1,-0.3 4,-0.3 0.703 90.2 61.4 -63.3 -20.1 85.9 91.5 114.9 61 61 A R G < S+ 0 0 75 -3,-2.2 39,-0.3 1,-0.2 -1,-0.3 0.365 100.1 55.9 -87.3 3.4 83.5 93.7 116.8 62 62 A H G < S+ 0 0 117 -3,-1.9 -1,-0.2 -4,-0.1 -2,-0.1 0.024 79.9 88.2-124.4 27.7 86.3 96.3 117.4 63 63 A V S < S+ 0 0 37 -3,-0.7 2,-0.3 1,-0.3 -2,-0.1 0.894 98.8 15.4 -88.7 -48.9 87.4 97.0 113.9 64 64 A L S S- 0 0 2 34,-0.3 36,-0.5 -4,-0.3 -1,-0.3 -0.968 71.5-150.1-128.7 143.2 84.9 99.8 113.0 65 65 A T > - 0 0 43 -2,-0.3 3,-1.8 34,-0.2 4,-0.4 -0.634 34.9 -99.3-107.8 170.1 82.7 101.9 115.3 66 66 A R G > S+ 0 0 113 1,-0.3 3,-0.7 -2,-0.2 7,-0.1 0.794 121.5 55.2 -57.9 -30.1 79.3 103.6 114.8 67 67 A E G 3 S+ 0 0 135 1,-0.2 -1,-0.3 4,-0.0 4,-0.1 0.527 100.4 59.6 -83.8 -5.2 81.0 106.9 114.1 68 68 A Q G < S+ 0 0 66 -3,-1.8 -38,-2.3 -39,-0.1 2,-0.3 0.443 102.5 59.9 -99.5 -1.8 83.2 105.6 111.3 69 69 A V B < S-a 30 0A 3 -3,-0.7 -38,-0.2 -4,-0.4 3,-0.1 -0.852 90.4 -92.0-125.7 162.0 80.3 104.4 109.1 70 70 A M > - 0 0 42 -40,-2.8 3,-1.4 -2,-0.3 -1,-0.1 -0.210 57.4 -80.3 -65.7 160.4 77.4 106.0 107.4 71 71 A E T 3 S+ 0 0 120 1,-0.2 -1,-0.1 2,-0.1 32,-0.1 -0.331 116.5 18.3 -63.7 140.3 74.0 106.2 109.1 72 72 A G T 3> S+ 0 0 2 -3,-0.1 4,-0.9 31,-0.1 3,-0.3 0.111 95.5 105.2 86.3 -21.5 71.9 103.1 109.0 73 73 A V H X> S+ 0 0 0 -3,-1.4 3,-1.1 1,-0.2 4,-0.7 0.918 73.0 55.2 -59.2 -48.0 75.0 101.0 108.1 74 74 A P H >4 S+ 0 0 10 0, 0.0 3,-0.7 0, 0.0 25,-0.3 0.877 110.4 47.5 -54.3 -37.3 75.4 99.3 111.6 75 75 A E H 34 S+ 0 0 78 -3,-0.3 -2,-0.2 1,-0.2 28,-0.0 0.660 103.3 61.2 -77.5 -20.2 71.8 98.1 111.4 76 76 A M H << S+ 0 0 16 -3,-1.1 -1,-0.2 -4,-0.9 -3,-0.1 0.583 103.3 56.4 -80.1 -12.2 72.3 96.7 107.9 77 77 A I << + 0 0 5 -4,-0.7 22,-0.4 -3,-0.7 -1,-0.2 -0.691 55.2 162.5-122.1 78.4 74.9 94.4 109.3 78 78 A P S S- 0 0 73 0, 0.0 19,-2.9 0, 0.0 2,-0.3 0.732 76.6 -10.1 -67.9 -18.9 73.5 92.3 112.1 79 79 A D E -B 96 0B 55 17,-0.3 2,-0.4 18,-0.1 17,-0.2 -0.976 59.6-139.6-168.2 164.3 76.4 89.9 111.7 80 80 A I E -B 95 0B 4 15,-2.1 15,-3.0 -2,-0.3 2,-0.4 -0.997 17.1-172.6-137.7 130.8 79.4 89.1 109.5 81 81 A Q E +B 94 0B 30 -2,-0.4 590,-2.7 588,-0.3 2,-0.3 -0.977 12.5 156.3-126.3 140.6 80.6 85.6 108.6 82 82 A V E -Bc 93 671B 0 11,-1.6 11,-2.4 -2,-0.4 2,-0.3 -0.977 25.6-141.5-157.1 150.7 83.8 84.5 106.7 83 83 A E E +B 92 0B 11 588,-0.5 2,-0.3 -2,-0.3 9,-0.2 -0.892 22.8 168.1-117.9 150.0 85.9 81.4 106.6 84 84 A A E -B 91 0B 13 7,-1.3 7,-1.6 -2,-0.3 2,-0.9 -0.969 44.6 -88.1-152.8 164.0 89.6 81.1 106.4 85 85 A T E -B 90 0B 106 -2,-0.3 5,-0.2 5,-0.2 -2,-0.0 -0.694 45.8-173.6 -82.1 103.7 92.3 78.5 106.7 86 86 A F E > -B 89 0B 6 3,-2.3 3,-1.9 -2,-0.9 -38,-0.1 -0.404 46.8 -92.9 -85.2 171.0 93.3 78.3 110.4 87 87 A P T 3 S+ 0 0 109 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.804 131.3 48.1 -57.4 -25.4 96.2 76.2 111.5 88 88 A D T 3 S- 0 0 108 1,-0.4 2,-0.1 0, 0.0 -3,-0.0 -0.118 126.2 -88.7-106.3 35.4 93.7 73.4 112.0 89 89 A G E < S-B 86 0B 32 -3,-1.9 -3,-2.3 2,-0.0 -1,-0.4 -0.282 74.2 -19.1 90.5-178.1 91.8 73.8 108.7 90 90 A S E +B 85 0B 58 -5,-0.2 2,-0.3 -3,-0.1 -5,-0.2 -0.439 64.0 175.5 -67.0 135.4 88.9 75.9 107.5 91 91 A K E -B 84 0B 82 -7,-1.6 -7,-1.3 -2,-0.1 2,-0.4 -0.969 27.9-120.2-141.0 152.2 86.7 77.3 110.2 92 92 A L E -B 83 0B 43 -2,-0.3 2,-0.5 -9,-0.2 -9,-0.2 -0.807 19.7-160.7 -98.5 130.7 83.7 79.7 110.2 93 93 A V E -B 82 0B 0 -11,-2.4 -11,-1.6 -2,-0.4 2,-0.5 -0.954 5.6-171.4-113.5 121.4 83.9 83.0 112.1 94 94 A T E -B 81 0B 22 -2,-0.5 2,-0.6 -13,-0.2 -13,-0.2 -0.965 1.9-169.3-115.0 116.6 80.6 84.7 112.9 95 95 A V E -B 80 0B 0 -15,-3.0 -15,-2.1 -2,-0.5 2,-0.3 -0.937 13.4-149.7-106.3 114.5 80.8 88.2 114.4 96 96 A H E S-B 79 0B 118 -2,-0.6 -17,-0.3 -39,-0.3 -2,-0.0 -0.706 74.4 -7.7 -87.4 137.8 77.4 89.4 115.8 97 97 A N S S- 0 0 94 -19,-2.9 -1,-0.3 -2,-0.3 -18,-0.1 0.921 75.8-178.7 41.8 61.9 76.6 93.1 115.7 98 98 A P + 0 0 0 0, 0.0 2,-0.6 0, 0.0 -34,-0.3 0.792 62.7 60.0 -59.0 -33.4 80.2 94.0 114.5 99 99 A I 0 0 6 -22,-0.4 -34,-0.2 -25,-0.3 -22,-0.1 -0.899 360.0 360.0-106.5 120.3 79.6 97.7 114.5 100 100 A I 0 0 101 -2,-0.6 -35,-0.2 -36,-0.5 -1,-0.2 0.563 360.0 360.0-130.3 360.0 78.6 99.4 117.7 101 !* 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 58 0, 0.0 125,-0.1 0, 0.0 -30,-0.0 0.000 360.0 360.0 360.0 126.6 66.8 106.8 109.6 103 2 B I > - 0 0 58 123,-0.1 3,-1.9 -32,-0.1 121,-0.1 -0.984 360.0-113.7-132.6 117.5 67.2 103.1 109.3 104 3 B P T 3 S+ 0 0 8 0, 0.0 536,-0.3 0, 0.0 123,-0.3 -0.242 96.6 0.5 -51.3 132.8 67.0 101.5 105.8 105 4 B G T 3 S+ 0 0 9 121,-2.6 535,-0.3 534,-0.5 122,-0.1 0.669 91.7 168.1 61.1 21.2 64.0 99.2 105.5 106 5 B E < - 0 0 57 -3,-1.9 118,-2.8 120,-0.3 2,-0.2 -0.314 28.0-130.1 -68.8 149.8 62.8 99.9 109.1 107 6 B Y E -D 223 0C 65 116,-0.2 2,-0.3 2,-0.0 116,-0.2 -0.590 9.1-157.6 -94.8 159.2 59.4 98.7 110.2 108 7 B H E -D 222 0C 109 114,-2.6 114,-2.1 -2,-0.2 2,-0.4 -0.786 21.8-171.5-135.7 78.9 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 -0.655 22.5-126.4 -76.0 127.1 54.8 98.1 113.7 110 9 B K - 0 0 104 -2,-0.4 111,-0.1 1,-0.1 98,-0.1 -0.577 34.3-104.2 -75.6 139.9 51.7 99.5 115.4 111 10 B P S S+ 0 0 121 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.252 72.7 73.0 -62.9 152.3 51.4 98.4 119.1 112 11 B G - 0 0 43 2,-0.0 96,-2.3 0, 0.0 97,-0.3 -0.927 69.5 -80.5 141.5-164.6 49.1 95.7 120.2 113 12 B Q E -F 207 0D 135 -2,-0.3 2,-0.4 94,-0.3 94,-0.3 -0.945 22.9-131.7-138.7 159.4 48.6 91.9 120.2 114 13 B I E -F 206 0D 8 92,-3.4 92,-1.8 -2,-0.3 2,-0.6 -0.925 17.8-139.5-113.5 133.0 47.4 89.3 117.8 115 14 B A E -F 205 0D 47 -2,-0.4 3,-0.4 90,-0.2 2,-0.3 -0.854 24.9-148.0 -93.8 122.1 44.9 86.7 119.0 116 15 B L + 0 0 9 88,-2.4 126,-0.2 -2,-0.6 125,-0.1 -0.668 64.2 1.0 -95.7 149.9 45.8 83.3 117.6 117 16 B N S > S- 0 0 8 124,-2.4 3,-0.7 -2,-0.3 -1,-0.2 0.868 83.0-171.2 44.8 51.8 43.6 80.4 116.6 118 17 B T T 3 + 0 0 105 -3,-0.4 -1,-0.1 123,-0.3 3,-0.1 -0.381 58.3 23.7 -74.8 147.0 40.4 82.2 117.5 119 18 B G T 3 S+ 0 0 90 1,-0.2 2,-0.3 -2,-0.1 -1,-0.2 0.732 95.2 120.5 74.2 24.9 37.0 80.4 117.6 120 19 B R < - 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c 0 417L 0 -38,-1.6 -23,-1.9 -2,-0.2 -36,-0.2 -0.955 15.0-149.9-118.8 137.0 62.7 95.5 67.3 397 195 C G E -bc 373 418L 0 20,-2.4 22,-2.6 -2,-0.4 2,-0.9 -0.429 35.0 -81.7 -99.0 177.8 63.6 96.0 63.7 398 196 C K E - c 0 419L 52 -25,-0.5 22,-0.2 20,-0.2 -23,-0.1 -0.719 43.2-178.5 -81.6 108.9 64.6 99.0 61.7 399 197 C G + 0 0 0 20,-2.0 2,-1.6 -2,-0.9 35,-0.3 0.404 46.2 110.7 -90.1 4.6 61.4 100.8 60.9 400 198 C N + 0 0 19 19,-0.4 2,-0.3 33,-0.1 -1,-0.1 -0.582 50.6 102.4 -83.3 81.9 62.9 103.7 58.9 401 199 C V - 0 0 45 -2,-1.6 33,-0.2 29,-0.3 32,-0.1 -0.979 59.6-146.7-156.6 152.8 61.7 102.9 55.4 402 200 C S S S+ 0 0 78 -2,-0.3 -2,-0.1 31,-0.1 28,-0.0 0.141 82.5 82.3-108.5 16.5 59.1 104.2 52.9 403 201 C Q >> - 0 0 98 1,-0.1 3,-1.0 27,-0.0 4,-0.6 -0.971 68.4-153.8-122.8 110.8 58.5 100.8 51.3 404 202 C P H >> S+ 0 0 36 0, 0.0 4,-2.6 0, 0.0 3,-1.5 0.843 89.2 62.2 -51.4 -47.1 56.1 98.6 53.3 405 203 C D H 3> S+ 0 0 93 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.824 96.4 59.0 -53.9 -34.1 57.5 95.2 52.1 406 204 C A H <> S+ 0 0 30 -3,-1.0 4,-0.6 1,-0.2 -1,-0.3 0.784 112.5 41.4 -66.0 -26.9 60.9 96.0 53.6 407 205 C L H S+ 0 0 13 -4,-0.6 5,-1.6 -3,-0.3 4,-1.0 0.905 111.5 47.6 -63.2 -45.1 61.3 92.0 59.2 411 209 C V H ><5S+ 0 0 0 -4,-2.1 3,-0.9 1,-0.2 287,-0.5 0.927 112.5 50.2 -63.1 -41.6 58.1 91.4 61.1 412 210 C A H 3<5S+ 0 0 27 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.762 105.4 58.7 -66.9 -25.3 57.7 88.0 59.3 413 211 C A H 3<5S- 0 0 14 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.709 131.6 -82.9 -76.5 -23.9 61.3 87.3 60.3 414 212 C G T <<5S+ 0 0 0 -4,-1.0 -19,-0.3 -3,-0.9 -3,-0.2 0.355 77.5 136.9 143.3 -12.8 60.5 87.6 64.0 415 213 C V < - 0 0 0 -5,-1.6 -1,-0.3 1,-0.1 -19,-0.2 -0.285 38.3-154.6 -67.5 149.1 60.5 91.2 65.3 416 214 C I S S+ 0 0 0 -21,-3.0 28,-1.6 1,-0.1 2,-0.3 0.325 75.1 4.9-102.7 4.5 57.7 92.3 67.7 417 215 C G E -cd 396 444L 0 -22,-0.7 -20,-2.4 26,-0.2 2,-0.4 -0.982 66.6-116.7-171.7 173.1 58.0 95.9 66.8 418 216 C L E -cd 397 445L 0 26,-2.4 28,-2.2 -2,-0.3 2,-0.5 -0.992 22.1-152.0-129.3 122.2 59.7 98.5 64.6 419 217 C A E -cd 398 446L 0 -22,-2.6 -20,-2.0 -2,-0.4 2,-0.6 -0.853 5.0-158.8 -98.0 125.2 61.8 101.2 66.1 420 218 C I E + d 0 447L 1 26,-3.2 28,-1.9 -2,-0.5 2,-0.4 -0.913 15.9 178.3-103.1 121.4 62.1 104.5 64.3 421 219 C H > - 0 0 2 -2,-0.6 3,-1.6 26,-0.2 4,-0.2 -0.966 36.7-128.8-125.0 143.0 65.2 106.6 65.1 422 220 C E G > S+ 0 0 23 26,-0.5 3,-1.3 -2,-0.4 4,-0.3 0.747 104.1 71.6 -59.5 -24.4 66.3 109.9 63.7 423 221 C D G 3 S+ 0 0 62 1,-0.3 -1,-0.3 2,-0.2 -53,-0.1 0.816 106.5 37.8 -62.0 -29.6 69.7 108.5 63.0 424 222 C W G < S- 0 0 97 -3,-1.6 -1,-0.3 -58,-0.0 -2,-0.2 0.289 138.0 -82.6-100.9 5.3 68.1 106.5 60.1 425 223 C G < - 0 0 27 -3,-1.3 2,-1.4 -4,-0.2 -3,-0.2 0.823 34.3-150.4 92.5 93.0 65.8 109.4 59.3 426 224 C A + 0 0 4 -4,-0.3 24,-0.4 -6,-0.1 29,-0.2 -0.548 39.7 160.0 -92.3 68.8 62.6 109.9 61.2 427 225 C T > - 0 0 49 -2,-1.4 4,-2.9 1,-0.1 5,-0.2 -0.530 54.6-111.9 -89.7 156.8 60.6 111.5 58.3 428 226 C P H > S+ 0 0 43 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.884 119.2 51.8 -53.8 -41.2 56.8 111.7 58.0 429 227 C A H > S+ 0 0 54 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.927 111.2 45.9 -62.6 -46.1 56.9 109.3 55.1 430 228 C A H > S+ 0 0 3 2,-0.2 4,-2.6 1,-0.2 -29,-0.3 0.941 114.2 49.0 -62.1 -47.9 58.9 106.7 57.1 431 229 C I H X S+ 0 0 2 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.928 112.0 47.6 -58.2 -48.7 56.7 107.1 60.2 432 230 C D H X S+ 0 0 72 -4,-2.8 4,-1.8 -5,-0.2 -1,-0.2 0.917 111.8 51.6 -60.3 -42.8 53.5 106.7 58.2 433 231 C C H X S+ 0 0 9 -4,-2.4 4,-1.9 1,-0.2 3,-0.3 0.955 110.7 46.4 -59.5 -52.0 54.9 103.7 56.4 434 232 C A H X S+ 0 0 0 -4,-2.6 4,-2.3 -35,-0.3 -1,-0.2 0.874 111.7 51.5 -59.2 -41.0 55.9 101.9 59.7 435 233 C L H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.836 106.2 54.9 -68.1 -31.7 52.5 102.7 61.3 436 234 C T H X S+ 0 0 54 -4,-1.8 4,-1.1 -3,-0.3 -1,-0.2 0.933 112.0 42.8 -66.3 -44.5 50.6 101.2 58.3 437 235 C V H X S+ 0 0 0 -4,-1.9 4,-1.6 2,-0.2 3,-0.3 0.883 112.5 53.8 -68.5 -39.1 52.5 97.9 58.6 438 236 C A H X>S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 5,-1.0 0.926 105.2 54.9 -60.6 -44.2 52.1 98.0 62.4 439 237 C D H <5S+ 0 0 79 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.790 113.9 40.7 -60.4 -30.3 48.3 98.4 62.0 440 238 C E H <5S+ 0 0 107 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.659 121.2 39.4 -95.2 -15.1 48.1 95.3 59.8 441 239 C M H <5S- 0 0 36 -4,-1.6 255,-0.4 -3,-0.4 256,-0.3 0.418 100.2-122.9-113.8 1.6 50.5 93.0 61.7 442 240 C D T <5 + 0 0 36 -4,-1.5 2,-0.3 1,-0.2 277,-0.2 0.923 65.5 130.8 56.3 52.2 49.7 93.9 65.3 443 241 C I < - 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