==== 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 16-FEB-95 2KAU . COMPND 2 MOLECULE: UREASE (GAMMA CHAIN); . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA AEROGENES; . AUTHOR E.JABRI,M.B.CARR,R.P.HAUSINGER,P.A.KARPLUS . 767 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29126.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 517 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 7.8 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 . 98 12.8 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 . 15 2.0 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 3 3 1 2 3 1 1 1 1 1 1 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 5 2 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 0 179 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -37.0 100.3 78.4 92.8 2 2 A E - 0 0 175 1,-0.2 2,-0.3 2,-0.0 0, 0.0 0.911 360.0-161.7 52.3 53.1 97.4 76.0 91.6 3 3 A L - 0 0 59 4,-0.1 -1,-0.2 2,-0.1 0, 0.0 -0.480 3.8-145.7 -70.0 126.4 94.7 78.4 92.9 4 4 A T > - 0 0 40 -2,-0.3 4,-1.9 1,-0.1 3,-0.3 -0.346 32.4 -97.9 -80.1 168.6 91.4 76.7 93.4 5 5 A P H > S+ 0 0 103 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.899 123.8 54.8 -59.2 -39.1 88.1 78.7 92.7 6 6 A R H > S+ 0 0 118 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.869 106.8 49.8 -62.2 -35.5 87.7 79.4 96.5 7 7 A E H > S+ 0 0 87 -3,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.898 112.3 47.6 -69.4 -41.4 91.2 81.0 96.7 8 8 A K H X S+ 0 0 123 -4,-1.9 4,-0.9 1,-0.2 3,-0.4 0.878 108.2 55.5 -66.1 -38.9 90.5 83.2 93.7 9 9 A D H >X S+ 0 0 22 -4,-2.3 4,-1.1 1,-0.2 3,-0.9 0.901 104.7 53.2 -60.7 -41.7 87.1 84.2 95.1 10 10 A K H 3X S+ 0 0 36 -4,-1.7 4,-2.6 1,-0.3 -1,-0.2 0.777 97.0 66.0 -66.2 -24.7 88.9 85.4 98.3 11 11 A L H 3X S+ 0 0 93 -4,-1.0 4,-2.3 -3,-0.4 -1,-0.3 0.840 99.4 53.4 -64.2 -31.4 91.2 87.5 96.2 12 12 A L H S+ 0 0 49 -4,-1.7 5,-2.1 2,-0.2 4,-0.5 0.912 108.4 50.2 -68.1 -40.7 88.8 105.4 102.1 24 24 A L H ><5S+ 0 0 45 -4,-2.8 3,-1.3 1,-0.2 -1,-0.2 0.904 108.7 54.7 -63.1 -38.4 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 0.837 101.4 56.5 -62.9 -37.7 92.4 106.4 105.8 26 26 A R T 3<5S- 0 0 167 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.597 124.6-107.8 -67.7 -15.6 91.1 109.5 104.0 27 27 A G T < 5 + 0 0 63 -3,-1.3 -3,-0.2 -4,-0.5 -2,-0.2 0.671 67.8 149.4 96.0 20.5 88.8 109.9 106.9 28 28 A L < - 0 0 82 -5,-2.1 2,-0.6 1,-0.1 -1,-0.2 -0.481 53.4-113.4 -85.9 156.5 85.5 108.9 105.2 29 29 A K - 0 0 122 -2,-0.1 40,-0.3 40,-0.1 39,-0.1 -0.808 42.3-123.5 -86.6 121.2 82.5 107.3 106.8 30 30 A L B -a 69 0A 0 38,-2.5 40,-2.9 -2,-0.6 43,-0.1 -0.325 19.7-142.4 -68.9 149.2 82.3 103.8 105.3 31 31 A N > - 0 0 8 38,-0.2 4,-1.8 736,-0.1 5,-0.2 -0.178 38.7 -76.7 -94.5-166.0 79.2 102.5 103.5 32 32 A Y H > S+ 0 0 58 733,-2.2 4,-2.2 2,-0.2 5,-0.2 0.976 125.0 39.0 -63.1 -62.8 77.7 99.0 103.5 33 33 A P H > S+ 0 0 20 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.897 115.9 53.2 -57.8 -38.1 80.0 97.0 101.1 34 34 A E H > S+ 0 0 11 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.900 109.3 48.8 -62.8 -43.0 83.1 98.8 102.4 35 35 A S H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 5,-0.3 0.939 112.0 47.6 -63.0 -47.0 82.3 97.9 106.0 36 36 A V H X S+ 0 0 9 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.930 114.5 47.0 -60.8 -45.7 81.6 94.2 105.3 37 37 A A H X S+ 0 0 5 -4,-2.4 4,-2.5 -5,-0.2 -20,-0.2 0.925 111.3 50.9 -62.8 -46.0 84.8 93.9 103.2 38 38 A L H X S+ 0 0 20 -4,-2.5 4,-1.5 -5,-0.2 -2,-0.2 0.929 115.1 40.6 -59.1 -50.6 87.1 95.7 105.8 39 39 A I H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.919 114.7 52.9 -65.9 -42.6 86.0 93.5 108.8 40 40 A S H X S+ 0 0 0 -4,-2.3 4,-1.9 -5,-0.3 -2,-0.2 0.920 108.6 49.1 -58.9 -46.5 85.9 90.3 106.7 41 41 A A H X S+ 0 0 13 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.863 106.6 57.5 -62.4 -36.4 89.5 90.8 105.5 42 42 A F H X S+ 0 0 76 -4,-1.5 4,-1.9 -5,-0.2 -1,-0.2 0.915 106.5 49.1 -60.2 -43.6 90.6 91.5 109.1 43 43 A I H X S+ 0 0 2 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.904 107.2 54.5 -64.6 -40.8 89.3 88.1 110.2 44 44 A M H X S+ 0 0 21 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.895 109.8 46.6 -61.6 -40.0 91.0 86.3 107.3 45 45 A E H X S+ 0 0 93 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.866 107.7 58.9 -70.4 -32.7 94.4 87.8 108.3 46 46 A G H X>S+ 0 0 3 -4,-1.9 5,-2.3 1,-0.2 4,-0.7 0.927 107.0 45.8 -60.4 -45.2 93.6 86.8 111.9 47 47 A A H ><5S+ 0 0 1 -4,-2.2 3,-1.1 1,-0.2 -1,-0.2 0.907 108.7 55.5 -64.9 -41.8 93.3 83.2 110.9 48 48 A R H 3<5S+ 0 0 192 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.893 106.9 52.1 -58.0 -36.7 96.5 83.4 108.8 49 49 A D H 3<5S- 0 0 116 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.663 122.2-110.4 -71.9 -20.3 98.2 84.6 112.0 50 50 A G T <<5 + 0 0 39 -3,-1.1 -3,-0.2 -4,-0.7 -2,-0.1 0.689 60.1 157.8 98.3 19.0 96.8 81.6 113.9 51 51 A K < - 0 0 70 -5,-2.3 -1,-0.2 1,-0.1 2,-0.1 -0.457 44.0-106.5 -73.7 153.5 94.3 83.3 116.2 52 52 A S > - 0 0 59 -2,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.353 19.7-116.4 -78.7 159.6 91.5 81.1 117.5 53 53 A V H > S+ 0 0 39 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.945 117.0 54.5 -59.8 -43.7 87.9 81.3 116.3 54 54 A A H > S+ 0 0 73 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.905 108.4 47.6 -56.5 -47.7 86.8 82.4 119.8 55 55 A S H >> S+ 0 0 52 1,-0.2 4,-2.8 2,-0.2 3,-0.7 0.910 112.1 48.8 -61.2 -46.0 89.3 85.3 119.8 56 56 A L H 3X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.881 101.2 62.3 -64.7 -38.0 88.3 86.5 116.3 57 57 A M H 3< S+ 0 0 76 -4,-2.4 39,-0.3 1,-0.2 -1,-0.2 0.788 115.3 36.6 -57.2 -27.0 84.6 86.4 117.1 58 58 A E H X< S+ 0 0 97 -4,-0.8 3,-2.1 -3,-0.7 -2,-0.2 0.914 115.6 49.0 -88.4 -57.8 85.4 89.1 119.7 59 59 A E H >< S+ 0 0 72 -4,-2.8 3,-2.0 1,-0.3 -2,-0.2 0.811 100.1 68.8 -54.3 -32.6 88.1 91.1 118.0 60 60 A G G >< S+ 0 0 0 -4,-2.8 3,-0.8 1,-0.3 4,-0.3 0.731 90.2 62.9 -61.4 -21.0 86.0 91.4 114.9 61 61 A R G < S+ 0 0 74 -3,-2.1 39,-0.3 1,-0.2 -1,-0.3 0.400 99.4 55.2 -85.0 2.4 83.6 93.7 116.9 62 62 A H G < S+ 0 0 117 -3,-2.0 -1,-0.2 -4,-0.1 -2,-0.1 0.050 79.4 89.4-123.2 25.6 86.2 96.3 117.4 63 63 A V S < S+ 0 0 35 -3,-0.8 2,-0.4 1,-0.3 -2,-0.1 0.893 98.0 15.2 -87.0 -46.7 87.3 97.0 113.9 64 64 A L S S- 0 0 1 34,-0.3 36,-0.6 -4,-0.3 -1,-0.3 -0.971 70.1-152.3-130.3 144.2 84.8 99.8 113.0 65 65 A T > - 0 0 52 -2,-0.4 3,-2.0 34,-0.2 4,-0.4 -0.685 36.4 -98.8-110.7 168.8 82.7 101.9 115.3 66 66 A R G > S+ 0 0 114 1,-0.3 3,-0.7 -2,-0.2 7,-0.1 0.778 121.6 57.3 -56.8 -28.1 79.3 103.6 114.7 67 67 A E G 3 S+ 0 0 137 1,-0.2 -1,-0.3 -38,-0.0 4,-0.1 0.553 100.5 57.5 -83.3 -5.0 81.1 106.9 114.2 68 68 A Q G < S+ 0 0 67 -3,-2.0 -38,-2.5 -39,-0.1 2,-0.3 0.467 103.4 59.3-101.0 -2.9 83.3 105.5 111.3 69 69 A V B < S-a 30 0A 3 -3,-0.7 -38,-0.2 -4,-0.4 3,-0.1 -0.857 89.1 -91.7-126.1 162.3 80.4 104.4 109.1 70 70 A M > - 0 0 43 -40,-2.9 3,-1.6 -2,-0.3 -1,-0.1 -0.188 57.4 -77.8 -66.4 158.3 77.4 106.0 107.4 71 71 A E T 3 S+ 0 0 119 1,-0.2 -1,-0.1 2,-0.1 32,-0.0 -0.295 116.9 16.3 -58.1 136.0 73.9 106.2 109.1 72 72 A G T 3> S+ 0 0 3 -3,-0.1 4,-1.0 31,-0.1 -1,-0.2 0.163 94.3 107.8 87.0 -17.6 72.0 103.0 109.0 73 73 A V H X> S+ 0 0 0 -3,-1.6 3,-0.8 1,-0.2 4,-0.5 0.903 73.6 53.1 -61.4 -45.2 75.0 100.9 108.2 74 74 A P H >4 S+ 0 0 10 0, 0.0 3,-0.8 0, 0.0 25,-0.2 0.874 110.4 50.0 -58.7 -34.8 75.3 99.2 111.6 75 75 A E H 34 S+ 0 0 74 1,-0.2 -2,-0.2 -3,-0.2 28,-0.1 0.706 104.3 58.1 -74.8 -21.8 71.7 98.2 111.3 76 76 A M H << S+ 0 0 16 -4,-1.0 -1,-0.2 -3,-0.8 -3,-0.1 0.505 104.3 57.0 -84.5 -6.5 72.3 96.7 107.9 77 77 A I << + 0 0 4 -3,-0.8 22,-0.5 -4,-0.5 -1,-0.2 -0.659 53.0 161.4-127.5 76.2 75.0 94.4 109.3 78 78 A P S S- 0 0 75 0, 0.0 19,-3.2 0, 0.0 2,-0.3 0.754 77.5 -10.8 -65.5 -22.9 73.5 92.2 112.1 79 79 A D E -B 96 0B 56 17,-0.3 2,-0.4 18,-0.2 17,-0.2 -0.979 59.6-138.9-166.6 165.8 76.5 89.9 111.7 80 80 A I E -B 95 0B 4 15,-2.0 15,-3.0 -2,-0.3 2,-0.4 -0.996 17.6-169.7-136.3 136.4 79.5 89.1 109.4 81 81 A Q E +B 94 0B 28 -2,-0.4 590,-2.7 588,-0.3 2,-0.3 -0.987 13.2 156.6-130.4 140.6 80.7 85.7 108.5 82 82 A V E -B 93 0B 1 11,-1.8 11,-2.2 -2,-0.4 2,-0.3 -0.973 23.7-145.7-160.4 145.6 83.8 84.5 106.7 83 83 A E E +B 92 0B 12 588,-0.5 2,-0.3 -2,-0.3 9,-0.2 -0.864 23.2 162.1-113.9 154.0 85.9 81.3 106.5 84 84 A A E -B 91 0B 14 7,-1.2 7,-1.6 -2,-0.3 2,-0.8 -0.955 47.0 -82.8-160.3 167.4 89.7 81.0 106.2 85 85 A T E -B 90 0B 103 -2,-0.3 5,-0.2 5,-0.2 -2,-0.0 -0.738 44.9-174.3 -87.4 106.8 92.4 78.4 106.7 86 86 A F E > -B 89 0B 7 3,-2.4 3,-2.0 -2,-0.8 -38,-0.1 -0.432 48.0 -92.8 -85.6 173.0 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 0.829 131.9 49.1 -59.5 -26.8 96.3 76.1 111.4 88 88 A D T 3 S- 0 0 111 1,-0.4 2,-0.1 0, 0.0 -3,-0.0 -0.086 125.7 -91.9-101.7 33.0 93.6 73.4 112.0 89 89 A G E < S-B 86 0B 30 -3,-2.0 -3,-2.4 2,-0.0 -1,-0.4 -0.285 72.8 -17.2 91.2-175.6 91.9 73.8 108.7 90 90 A S E +B 85 0B 60 -5,-0.2 2,-0.3 -3,-0.1 -5,-0.2 -0.402 64.3 173.8 -67.4 136.3 89.0 75.9 107.4 91 91 A K E -B 84 0B 85 -7,-1.6 -7,-1.2 -2,-0.1 2,-0.4 -0.972 28.8-121.5-142.4 154.3 86.7 77.3 110.1 92 92 A L E -B 83 0B 45 -2,-0.3 2,-0.5 -9,-0.2 -9,-0.2 -0.832 19.9-162.8-101.2 131.1 83.8 79.7 110.1 93 93 A V E -B 82 0B 1 -11,-2.2 -11,-1.8 -2,-0.4 2,-0.5 -0.970 3.8-169.4-115.4 124.7 83.9 82.9 112.1 94 94 A T E -B 81 0B 21 -2,-0.5 2,-0.6 -13,-0.2 -13,-0.2 -0.980 2.7-165.4-115.3 122.5 80.6 84.6 112.9 95 95 A V E -B 80 0B 0 -15,-3.0 -15,-2.0 -2,-0.5 2,-0.3 -0.956 13.1-149.1-109.7 112.7 80.9 88.1 114.3 96 96 A H E S-B 79 0B 116 -2,-0.6 -17,-0.3 -39,-0.3 -2,-0.0 -0.661 73.4 -7.7 -85.0 142.3 77.5 89.3 115.8 97 97 A N S S- 0 0 103 -19,-3.2 -1,-0.3 -2,-0.3 -18,-0.2 0.910 76.5-178.4 37.4 61.5 76.6 93.0 115.8 98 98 A P + 0 0 0 0, 0.0 2,-0.6 0, 0.0 -34,-0.3 0.794 61.6 60.7 -58.5 -31.8 80.2 93.9 114.6 99 99 A I 0 0 7 -22,-0.5 -34,-0.2 -25,-0.2 -22,-0.1 -0.888 360.0 360.0-108.7 114.1 79.5 97.6 114.6 100 100 A I 0 0 101 -2,-0.6 -35,-0.2 -36,-0.6 -1,-0.2 0.763 360.0 360.0-111.8 360.0 78.6 99.3 117.8 101 !* 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 57 0, 0.0 125,-0.1 0, 0.0 127,-0.0 0.000 360.0 360.0 360.0 124.5 66.8 106.8 109.6 103 2 B I > - 0 0 60 123,-0.1 3,-1.9 -28,-0.1 121,-0.1 -0.989 360.0-114.5-127.3 116.6 67.2 103.0 109.4 104 3 B P T 3 S- 0 0 8 0, 0.0 536,-0.3 0, 0.0 123,-0.3 -0.262 96.1 -0.1 -51.4 130.4 67.0 101.5 105.9 105 4 B G T 3 S+ 0 0 10 121,-2.5 535,-0.3 534,-0.4 122,-0.1 0.691 91.6 166.3 62.4 23.0 64.0 99.2 105.6 106 5 B E < - 0 0 57 -3,-1.9 118,-2.4 120,-0.3 2,-0.2 -0.329 29.7-128.5 -70.4 152.5 62.8 99.7 109.1 107 6 B Y E -C 223 0C 62 116,-0.2 2,-0.4 -2,-0.0 116,-0.2 -0.652 9.0-157.3 -97.4 157.1 59.3 98.7 110.3 108 7 B H E -C 222 0C 114 114,-2.7 114,-2.2 -2,-0.2 2,-0.3 -0.806 22.8-171.7-132.5 80.3 56.8 100.8 112.1 109 8 B V - 0 0 22 -2,-0.4 100,-0.1 112,-0.2 112,-0.1 -0.643 23.0-125.2 -76.3 129.5 54.8 98.1 113.8 110 9 B K - 0 0 101 -2,-0.3 111,-0.1 1,-0.1 98,-0.1 -0.612 35.4-106.5 -76.4 139.1 51.6 99.4 115.4 111 10 B P S S+ 0 0 121 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.208 72.4 67.8 -63.7 159.0 51.5 98.3 119.1 112 11 B G S S- 0 0 44 2,-0.0 96,-2.7 0, 0.0 97,-0.3 -0.890 71.2 -76.4 131.9-162.6 49.1 95.7 120.4 113 12 B Q E -E 207 0D 136 -2,-0.3 2,-0.4 94,-0.3 94,-0.3 -0.922 22.3-129.6-138.7 165.1 48.7 91.9 120.2 114 13 B I E -E 206 0D 8 92,-3.2 92,-2.0 -2,-0.3 2,-0.5 -0.949 19.0-138.1-118.6 130.4 47.3 89.3 117.8 115 14 B A E -E 205 0D 48 -2,-0.4 2,-0.4 90,-0.2 3,-0.3 -0.793 25.4-147.1 -88.2 126.6 44.8 86.6 119.0 116 15 B L - 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0 0 1 -4,-2.4 2,-1.6 -5,-0.2 -1,-0.2 -0.936 67.9-123.1-134.2 154.1 69.5 102.9 67.6 371 169 C T + 0 0 0 -2,-0.3 2,-0.4 -33,-0.1 -11,-0.2 -0.447 69.1 127.9 -88.5 62.4 67.5 100.0 69.0 372 170 C C - 0 0 1 -2,-1.6 25,-0.2 -13,-0.4 -2,-0.1 -0.977 48.2-163.6-128.9 131.3 67.3 98.2 65.6 373 171 C T - 0 0 0 23,-2.2 2,-0.5 -2,-0.4 25,-0.5 -0.924 36.1-137.4-106.6 98.3 68.1 94.7 64.5 374 172 C P > - 0 0 40 0, 0.0 4,-0.7 0, 0.0 5,-0.2 -0.507 47.6 -31.8 -66.8 112.7 68.3 95.3 60.7 375 173 C G H > S- 0 0 18 -2,-0.5 4,-2.8 3,-0.2 5,-0.2 0.332 82.4 -56.8 71.7 165.9 66.7 92.7 58.5 376 174 C P H > S+ 0 0 57 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.814 125.0 50.5 -46.9 -49.5 66.0 88.9 58.3 377 175 C W H > S+ 0 0 159 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.961 116.5 38.2 -63.6 -53.1 69.6 87.7 58.7 378 176 C Y H X S+ 0 0 106 -4,-0.7 4,-2.7 2,-0.2 5,-0.2 0.892 116.3 53.1 -66.9 -38.0 70.5 89.7 61.7 379 177 C I H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.962 110.9 47.9 -59.5 -47.2 67.0 89.2 63.2 380 178 C S H X S+ 0 0 23 -4,-2.8 4,-2.0 -5,-0.2 -2,-0.2 0.922 112.4 48.7 -58.4 -47.4 67.4 85.4 62.7 381 179 C R H X S+ 0 0 85 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.890 112.0 47.8 -62.7 -41.3 70.9 85.5 64.3 382 180 C M H X S+ 0 0 36 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.858 107.5 55.5 -70.0 -35.4 69.8 87.5 67.3 383 181 C L H X S+ 0 0 0 -4,-2.3 4,-0.7 -5,-0.2 -2,-0.2 0.933 110.4 47.3 -63.0 -38.6 66.8 85.2 67.9 384 182 C Q H >< S+ 0 0 73 -4,-2.0 3,-1.1 1,-0.2 -2,-0.2 0.940 111.9 48.8 -66.4 -44.5 69.2 82.3 68.0 385 183 C A H >< S+ 0 0 50 -4,-2.3 3,-2.2 1,-0.3 -1,-0.2 0.822 97.8 71.7 -63.3 -33.6 71.6 84.1 70.4 386 184 C A H >< S+ 0 0 3 -4,-2.3 3,-2.0 1,-0.3 5,-0.3 0.789 82.6 69.6 -54.2 -32.0 68.6 85.0 72.6 387 185 C D T << S+ 0 0 10 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.672 94.0 59.1 -60.3 -21.5 68.3 81.4 73.8 388 186 C S T < S+ 0 0 77 -3,-2.2 -1,-0.3 -4,-0.2 -2,-0.2 0.445 90.8 86.1 -86.6 -3.9 71.6 81.9 75.7 389 187 C L S < S- 0 0 28 -3,-2.0 2,-0.5 -4,-0.2 4,-0.1 -0.864 73.0-136.3-107.7 137.4 70.3 84.7 77.8 390 188 C P S S+ 0 0 23 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 0.025 79.6 75.4 -76.4 28.8 68.5 84.4 81.2 391 189 C V S S- 0 0 0 -2,-0.5 2,-0.2 -5,-0.3 -36,-0.2 -0.916 89.7 -99.1-134.6 157.8 65.8 87.1 80.5 392 190 C N E -x 355 0K 0 -38,-2.9 -36,-2.9 -2,-0.3 2,-0.4 -0.622 48.8-159.7 -73.8 144.6 62.7 87.1 78.3 393 191 C I E +xy 356 692K 3 298,-2.1 300,-2.6 -2,-0.2 2,-0.3 -0.975 25.1 174.7-137.4 143.4 63.5 88.8 75.0 394 192 C G E -x 357 0K 0 -38,-1.4 -36,-1.8 -2,-0.4 2,-0.3 -0.991 23.9-139.6-140.3 138.5 61.7 90.6 72.1 395 193 C L E -x 358 0K 2 298,-0.4 21,-2.5 19,-0.4 22,-0.7 -0.712 1.9-145.7-106.5 155.0 63.4 92.3 69.2 396 194 C L E -a 417 0L 0 -38,-1.6 -23,-2.2 -2,-0.3 22,-0.3 -0.936 16.0-147.8-116.4 136.1 62.7 95.6 67.3 397 195 C G E -a 418 0L 0 20,-2.6 22,-2.8 -2,-0.4 2,-0.8 -0.389 33.9 -85.7 -94.7 175.5 63.5 95.9 63.6 398 196 C K E -a 419 0L 52 -25,-0.5 22,-0.2 20,-0.2 -23,-0.1 -0.759 42.2-177.8 -83.2 115.2 64.6 99.0 61.6 399 197 C G + 0 0 0 20,-2.4 2,-1.6 -2,-0.8 35,-0.2 0.434 46.0 110.6 -94.4 1.2 61.3 100.8 60.8 400 198 C N + 0 0 18 19,-0.4 2,-0.3 33,-0.1 31,-0.1 -0.574 50.0 102.3 -80.8 83.7 62.8 103.6 58.8 401 199 C V - 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0 0 0 -5,-1.6 -1,-0.3 279,-0.1 -19,-0.2 -0.383 38.5-154.4 -73.7 147.1 60.5 91.2 65.4 416 214 C I S S+ 0 0 0 -21,-2.5 28,-1.6 277,-0.1 2,-0.3 0.316 75.0 4.3 -99.8 6.6 57.7 92.3 67.7 417 215 C G E -ab 396 444L 0 -22,-0.7 -20,-2.6 26,-0.2 2,-0.4 -0.979 67.2-116.8-173.9 172.6 58.0 96.0 66.9 418 216 C L E -ab 397 445L 0 26,-2.1 28,-2.3 -2,-0.3 2,-0.5 -0.994 19.1-144.8-129.0 130.4 59.7 98.6 64.7 419 217 C X E -ab 398 446L 2 -22,-2.8 -20,-2.4 -2,-0.4 2,-0.7 -0.849 6.6-158.7 -96.5 124.9 61.9 101.4 65.9 420 218 C I E + b 0 447L 0 26,-2.9 28,-2.0 -2,-0.5 2,-0.4 -0.925 21.4 178.3-100.6 117.7 61.7 104.7 64.0 421 219 C H E > - b 0 448L 0 -2,-0.7 3,-1.8 26,-0.2 4,-0.4 -0.979 36.0-135.8-126.1 138.4 64.9 106.6 64.7 422 220 C E G > S+ 0 0 29 26,-0.7 3,-0.9 -2,-0.4 4,-0.2 0.787 102.5 67.6 -59.0 -31.3 66.1 110.0 63.3 423 221 C D G 3 S+ 0 0 69 1,-0.3 -1,-0.3 2,-0.2 -53,-0.1 0.736 109.1 38.2 -61.6 -22.8 69.6 108.6 62.6 424 222 C W G < S- 0 0 99 -3,-1.8 -1,-0.3 -58,-0.0 -2,-0.2 0.401 139.6 -80.2-103.8 -3.0 68.0 106.5 59.9 425 223 C G < - 0 0 26 -3,-0.9 2,-1.8 -4,-0.4 -3,-0.2 0.808 36.6-153.9 102.4 86.2 65.6 109.3 58.9 426 224 C A + 0 0 4 -4,-0.2 24,-0.4 -6,-0.1 29,-0.2 -0.452 40.8 156.8 -87.2 67.2 62.5 109.9 61.1 427 225 C T > - 0 0 46 -2,-1.8 4,-2.9 22,-0.1 5,-0.2 -0.469 58.4-110.0 -92.4 160.1 60.5 111.5 58.2 428 226 C P H > S+ 0 0 46 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.870 120.7 51.4 -55.7 -37.4 56.7 111.8 57.8 429 227 C A H > S+ 0 0 54 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.960 111.9 44.4 -65.4 -49.1 56.9 109.2 54.9 430 228 C A H > S+ 0 0 4 1,-0.2 4,-2.5 2,-0.2 -29,-0.3 0.905 114.4 50.5 -61.4 -43.2 58.9 106.7 57.0 431 229 C I H X S+ 0 0 1 -4,-2.9 4,-2.3 2,-0.2 5,-0.2 0.927 110.6 47.8 -61.5 -48.7 56.6 107.2 60.0 432 230 C D H X S+ 0 0 76 -4,-2.3 4,-2.4 -5,-0.2 5,-0.2 0.948 112.1 50.9 -59.3 -46.3 53.4 106.7 58.0 433 231 C C H X S+ 0 0 11 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.939 110.5 47.9 -57.7 -50.4 54.9 103.5 56.4 434 232 C A H X S+ 0 0 0 -4,-2.5 4,-2.4 -35,-0.2 -1,-0.2 0.909 112.8 48.4 -58.3 -44.9 55.9 102.0 59.7 435 233 C L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.861 107.2 55.3 -66.1 -36.3 52.5 102.6 61.3 436 234 C T H X S+ 0 0 52 -4,-2.4 4,-1.1 -5,-0.2 -1,-0.2 0.931 112.3 43.3 -62.2 -43.8 50.6 101.2 58.3 437 235 C V H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 3,-0.4 0.898 111.5 54.4 -68.2 -40.1 52.5 98.0 58.7 438 236 C A H X>S+ 0 0 0 -4,-2.4 4,-1.3 1,-0.2 5,-1.2 0.885 105.3 54.8 -59.3 -40.8 52.1 98.0 62.5 439 237 C D H <5S+ 0 0 76 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.786 113.9 39.6 -65.9 -29.9 48.4 98.3 62.1 440 238 C E H <5S+ 0 0 110 -4,-1.1 -2,-0.2 -3,-0.4 -1,-0.2 0.800 121.3 40.4 -92.1 -25.5 48.1 95.2 59.9 441 239 C M H <5S- 0 0 35 -4,-2.3 255,-0.4 -5,-0.1 256,-0.3 0.450 101.5-123.5-102.6 1.1 50.6 93.0 61.7 442 240 C D T <5 + 0 0 37 -4,-1.3 2,-0.3 1,-0.2 254,-0.2 0.949 64.2 131.4 56.8 55.3 49.7 93.9 65.3 443 241 C I < - 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