==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 01-SEP-06 2J4K . COMPND 2 MOLECULE: URIDYLATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR K.S.JENSEN,E.JOHANSSON,K.F.JENSEN . 1282 14 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 49270.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 971 75.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 184 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 2.7 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 . 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 . 2 0.2 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 . 97 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 157 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 448 34.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 32 2.5 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 1 6 0 7 7 1 6 2 5 2 0 0 2 0 0 0 1 5 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 0 12 0 6 12 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 2 6 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 . 2 2 0 0 0 6 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 1 A M 0 0 159 0, 0.0 35,-3.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -75.6 18.8 20.3 -15.5 2 2 A N E +a 36 0A 34 129,-0.3 131,-0.7 33,-0.2 132,-0.6 -0.712 360.0 177.8 -97.6 139.5 21.3 18.5 -13.2 3 3 A I E -ab 37 134A 30 33,-2.6 35,-2.5 -2,-0.4 2,-0.4 -0.994 16.4-151.4-137.9 138.9 24.7 19.7 -12.0 4 4 A I E -ab 38 135A 0 130,-1.8 132,-2.7 -2,-0.4 2,-0.5 -0.913 10.6-161.4-109.2 136.9 27.4 18.3 -9.7 5 5 A L E -ab 39 136A 10 33,-2.8 35,-2.4 -2,-0.4 2,-0.6 -0.978 1.1-161.3-121.0 121.0 29.7 20.7 -7.8 6 6 A K E -ab 40 137A 12 130,-3.4 132,-3.3 -2,-0.5 2,-0.6 -0.909 6.9-158.1-105.0 120.6 32.9 19.4 -6.4 7 7 A I E -ab 41 138A 11 33,-2.9 35,-2.0 -2,-0.6 132,-0.1 -0.881 19.7-122.5-103.3 118.0 34.5 21.6 -3.6 8 8 A S > - 0 0 16 130,-2.4 3,-0.9 -2,-0.6 4,-0.4 -0.135 18.0-123.3 -52.4 149.9 38.2 21.2 -3.0 9 9 A G G > S+ 0 0 8 1,-0.2 3,-1.5 2,-0.2 36,-0.3 0.794 109.3 69.3 -67.4 -27.3 39.1 20.2 0.5 10 10 A K G > S+ 0 0 78 1,-0.3 3,-2.7 2,-0.2 4,-0.3 0.820 83.1 72.1 -60.6 -29.6 41.3 23.3 0.8 11 11 A F G X S+ 0 0 19 -3,-0.9 3,-0.7 1,-0.3 -1,-0.3 0.853 98.6 48.8 -52.6 -34.9 38.0 25.4 0.8 12 12 A F G < S+ 0 0 0 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.258 97.9 69.2 -90.6 10.4 37.6 24.0 4.3 13 13 A D G < S+ 0 0 43 -3,-2.7 -1,-0.2 3,-0.1 -2,-0.2 0.359 79.7 102.5-106.3 1.8 41.1 25.0 5.4 14 14 A E S < S- 0 0 85 -3,-0.7 3,-0.1 -4,-0.3 -3,-0.0 -0.180 90.9 -99.6 -77.6 174.5 40.4 28.7 5.2 15 15 A D S S- 0 0 151 1,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.787 103.0 -1.8 -66.1 -28.9 39.8 31.0 8.2 16 16 A N - 0 0 61 -5,-0.1 -2,-0.2 248,-0.0 3,-0.1 -0.942 56.2-135.7-152.6 171.1 36.0 30.8 7.6 17 17 A V > + 0 0 2 246,-0.4 3,-2.6 -2,-0.3 4,-0.3 -0.177 51.6 138.3-125.3 37.2 33.6 29.3 5.1 18 18 A D T >> + 0 0 58 1,-0.3 3,-3.3 2,-0.2 4,-0.7 0.819 61.3 73.7 -52.1 -35.5 31.4 32.4 4.7 19 19 A N H 3> S+ 0 0 83 1,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.609 80.4 73.5 -58.6 -8.2 31.2 31.6 1.0 20 20 A L H <> S+ 0 0 2 -3,-2.6 4,-1.7 2,-0.2 -1,-0.3 0.770 90.2 59.3 -73.2 -23.7 28.8 28.8 2.0 21 21 A I H <> S+ 0 0 94 -3,-3.3 4,-0.9 -4,-0.3 -2,-0.2 0.912 110.9 38.4 -69.2 -42.1 26.3 31.6 2.7 22 22 A V H >X S+ 0 0 44 -4,-0.7 4,-2.8 2,-0.2 3,-0.5 0.896 109.1 62.4 -74.3 -39.9 26.5 32.8 -1.0 23 23 A L H 3X S+ 0 0 18 -4,-2.4 4,-2.2 1,-0.3 -2,-0.2 0.888 101.5 53.5 -50.6 -41.8 26.7 29.2 -2.2 24 24 A R H 3X S+ 0 0 94 -4,-1.7 4,-2.0 1,-0.2 -1,-0.3 0.880 109.5 48.1 -60.4 -39.3 23.3 28.7 -0.7 25 25 A Q H <>S+ 0 0 31 -4,-2.9 5,-2.0 1,-0.2 3,-1.7 0.926 111.9 52.3 -59.8 -44.6 20.1 27.8 -9.9 31 31 A A H ><5S+ 0 0 51 -4,-3.0 3,-2.3 1,-0.3 4,-0.2 0.952 105.4 54.1 -55.1 -51.2 17.1 25.9 -8.6 32 32 A D T 3<5S+ 0 0 137 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.544 105.9 56.1 -61.9 -6.5 14.9 28.7 -9.6 33 33 A N T < 5S- 0 0 83 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.090 129.1 -93.1-112.3 20.7 16.4 28.3 -13.1 34 34 A G T < 5S+ 0 0 41 -3,-2.3 2,-0.4 1,-0.3 -3,-0.2 0.766 83.9 133.6 76.6 25.1 15.5 24.6 -13.5 35 35 A F < - 0 0 76 -5,-2.0 2,-0.4 -4,-0.2 -1,-0.3 -0.923 40.9-158.2-114.2 135.1 18.8 23.3 -12.1 36 36 A R E -a 2 0A 64 -35,-3.2 -33,-2.6 -2,-0.4 2,-0.4 -0.868 16.9-152.0-104.4 140.8 19.2 20.6 -9.6 37 37 A V E -a 3 0A 8 -2,-0.4 71,-0.8 -35,-0.2 2,-0.4 -0.947 15.6-173.2-124.0 139.3 22.5 20.5 -7.7 38 38 A G E -ac 4 108A 0 -35,-2.5 -33,-2.8 -2,-0.4 2,-0.4 -0.942 16.5-152.1-120.4 144.4 24.5 17.8 -6.1 39 39 A I E -ac 5 109A 1 69,-3.4 71,-2.2 -2,-0.4 2,-0.4 -0.955 12.5-171.7-126.0 143.2 27.6 18.5 -4.0 40 40 A V E -ac 6 110A 0 -35,-2.4 -33,-2.9 -2,-0.4 2,-0.3 -0.998 13.2-156.6-129.3 128.5 30.8 16.6 -3.2 41 41 A T E -a 7 0A 0 69,-2.4 -33,-0.2 -2,-0.4 35,-0.1 -0.849 8.0-136.3-110.2 145.0 33.3 17.8 -0.6 42 42 A G - 0 0 2 -35,-2.0 33,-0.2 -2,-0.3 34,-0.1 -0.223 20.3-116.0 -86.3-179.7 37.1 16.9 -0.4 43 43 A G >> + 0 0 14 1,-0.1 4,-1.3 32,-0.1 3,-0.6 0.791 44.0 177.4 -91.1 -32.3 39.0 16.1 2.8 44 44 A G H >> - 0 0 10 1,-0.2 4,-2.0 2,-0.2 3,-0.6 -0.039 59.3 -28.0 62.4-162.8 41.5 18.9 3.0 45 45 A S H 3> S+ 0 0 43 -36,-0.3 4,-2.7 1,-0.3 -1,-0.2 0.751 134.4 62.8 -59.9 -28.1 44.1 19.4 5.8 46 46 A T H <> S+ 0 0 10 -3,-0.6 4,-2.1 2,-0.2 -1,-0.3 0.933 106.5 44.7 -63.5 -43.7 41.9 17.6 8.2 47 47 A A H <>S+ 0 0 0 -4,-2.9 5,-2.2 1,-0.2 3,-0.7 0.887 111.5 54.2 -62.9 -41.1 47.5 7.2 11.6 55 55 A R H ><5S+ 0 0 131 -4,-3.1 3,-1.7 1,-0.2 -1,-0.2 0.882 101.5 59.3 -62.1 -38.4 50.3 6.4 9.2 56 56 A E H 3<5S+ 0 0 107 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.782 105.8 48.4 -62.8 -27.5 52.8 7.1 11.9 57 57 A I T <<5S- 0 0 11 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.266 125.3 -99.5 -96.9 12.0 51.4 4.4 14.1 58 58 A G T < 5 + 0 0 62 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.524 60.4 166.3 88.5 5.5 51.3 1.8 11.4 59 59 A I < - 0 0 14 -5,-2.2 -1,-0.2 -6,-0.1 233,-0.1 -0.265 40.4-107.8 -55.6 138.7 47.7 2.0 10.3 60 60 A G > - 0 0 35 231,-0.2 4,-2.1 1,-0.1 3,-0.4 -0.256 23.7-106.7 -70.6 158.5 47.2 0.2 6.9 61 61 A E H > S+ 0 0 61 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.820 115.7 54.8 -51.9 -43.5 46.5 2.0 3.6 62 62 A A H > S+ 0 0 2 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.932 112.8 43.6 -60.1 -44.7 42.8 1.0 3.4 63 63 A Y H > S+ 0 0 11 -3,-0.4 4,-1.7 2,-0.2 -2,-0.2 0.826 107.7 58.3 -69.4 -34.2 42.1 2.5 6.8 64 64 A L H X S+ 0 0 3 -4,-2.1 4,-1.5 1,-0.2 3,-0.2 0.926 108.2 48.0 -61.5 -41.4 44.2 5.6 6.0 65 65 A D H X S+ 0 0 39 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.868 107.2 56.5 -65.0 -36.0 41.9 6.2 3.0 66 66 A L H X S+ 0 0 4 -4,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.822 104.8 51.2 -65.3 -31.9 38.9 5.6 5.3 67 67 A L H X S+ 0 0 0 -4,-1.7 4,-1.7 -3,-0.2 -1,-0.2 0.839 108.6 51.5 -74.3 -31.4 40.1 8.4 7.6 68 68 A G H X S+ 0 0 15 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.889 110.6 50.6 -69.5 -36.5 40.4 10.7 4.6 69 69 A I H X S+ 0 0 14 -4,-2.0 4,-2.0 2,-0.2 43,-0.6 0.919 108.3 48.8 -67.5 -47.5 36.8 9.7 3.7 70 70 A W H X S+ 0 0 13 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.869 110.0 54.2 -62.8 -31.5 35.4 10.5 7.2 71 71 A A H X S+ 0 0 0 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.940 107.7 49.4 -65.9 -42.9 37.2 13.8 7.0 72 72 A S H X S+ 0 0 1 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.850 109.1 53.8 -64.3 -32.2 35.5 14.6 3.7 73 73 A R H X S+ 0 0 2 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.836 102.4 56.0 -71.2 -32.6 32.2 13.6 5.3 74 74 A L H X S+ 0 0 4 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.942 109.6 46.8 -64.4 -42.4 32.7 16.0 8.1 75 75 A N H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.859 110.3 54.9 -64.7 -33.1 33.1 18.8 5.5 76 76 A A H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.889 106.7 49.2 -68.0 -39.0 30.0 17.3 3.8 77 77 A Y H X S+ 0 0 23 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.905 109.2 53.3 -66.7 -37.7 28.0 17.7 7.0 78 78 A L H X S+ 0 0 0 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.951 113.4 42.2 -61.3 -49.4 29.1 21.3 7.4 79 79 A V H X S+ 0 0 0 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.921 114.8 50.9 -63.9 -43.3 28.0 22.2 3.9 80 80 A M H >< S+ 0 0 4 -4,-2.6 3,-0.6 1,-0.2 4,-0.3 0.911 108.8 51.5 -61.1 -43.9 24.7 20.2 4.3 81 81 A F H >< S+ 0 0 4 -4,-2.8 3,-0.8 1,-0.2 -1,-0.2 0.823 107.0 53.7 -64.9 -29.4 23.9 21.9 7.5 82 82 A S H 3< S+ 0 0 17 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.763 108.3 51.4 -76.3 -21.0 24.4 25.3 5.9 83 83 A L T XX S+ 0 0 0 -4,-1.1 3,-2.7 -3,-0.6 4,-0.7 0.336 78.3 163.0 -96.8 5.7 22.0 24.4 3.2 84 84 A Q T <4 + 0 0 32 -3,-0.8 2,-0.1 -4,-0.3 4,-0.1 0.188 68.1 19.2 -27.7 138.4 19.1 23.3 5.4 85 85 A D T 34 S+ 0 0 114 2,-0.5 -1,-0.3 1,-0.1 -2,-0.1 -0.080 120.9 64.3 83.2 -32.5 15.7 23.1 3.6 86 86 A L T <4 S+ 0 0 39 -3,-2.7 21,-2.5 -6,-0.2 2,-0.3 0.687 100.2 60.7 -90.4 -19.9 17.5 23.0 0.3 87 87 A A B < S-g 107 0B 1 -4,-0.7 2,-0.6 19,-0.2 -2,-0.5 -0.788 84.3-116.0-114.7 152.5 19.1 19.7 1.0 88 88 A Y - 0 0 4 19,-2.8 2,-2.5 -2,-0.3 21,-0.4 -0.737 41.9-124.8 -77.6 121.7 18.0 16.2 1.8 89 89 A M S S+ 0 0 15 -2,-0.6 2,-0.3 436,-0.3 440,-0.1 -0.314 77.6 87.9 -73.4 63.2 19.4 15.8 5.3 90 90 A H - 0 0 40 -2,-2.5 19,-0.4 19,-0.1 -2,-0.1 -0.938 64.3-142.7-158.6 133.3 21.5 12.7 4.8 91 91 A V - 0 0 1 -2,-0.3 19,-0.2 17,-0.1 7,-0.1 -0.871 26.1-139.5-101.4 105.8 25.1 12.1 3.7 92 92 A P - 0 0 0 0, 0.0 19,-0.6 0, 0.0 3,-0.1 -0.293 9.1-159.2 -63.1 145.1 25.3 9.0 1.5 93 93 A Q S S+ 0 0 54 17,-0.1 2,-0.3 1,-0.1 3,-0.1 0.388 72.1 28.0-108.3 2.1 28.3 6.7 1.9 94 94 A S S > S- 0 0 20 1,-0.1 4,-1.9 858,-0.1 5,-0.1 -0.966 85.3-104.1-153.4 164.6 28.2 4.9 -1.4 95 95 A L H > S+ 0 0 3 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.906 121.1 56.0 -60.3 -37.8 27.0 5.6 -4.9 96 96 A E H > S+ 0 0 33 875,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.894 107.6 46.1 -61.2 -42.4 24.0 3.3 -4.2 97 97 A E H > S+ 0 0 65 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.814 109.2 57.4 -69.7 -29.1 22.9 5.4 -1.2 98 98 A F H X S+ 0 0 1 -4,-1.9 4,-3.4 2,-0.2 5,-0.2 0.904 103.6 52.1 -66.6 -40.0 23.4 8.5 -3.3 99 99 A I H X S+ 0 0 9 -4,-2.0 4,-0.6 1,-0.2 1075,-0.3 0.911 111.5 47.2 -60.8 -43.1 21.0 7.2 -5.9 100 100 A Q H < S+ 0 0 49 -4,-1.6 3,-0.5 2,-0.2 1074,-0.3 0.918 116.1 43.5 -65.2 -45.1 18.4 6.7 -3.2 101 101 A D H >< S+ 0 0 2 -4,-2.6 3,-2.3 1,-0.2 5,-0.4 0.919 107.5 57.8 -67.8 -42.9 19.0 10.2 -1.7 102 102 A W H >< S+ 0 0 23 -4,-3.4 3,-1.4 1,-0.3 -1,-0.2 0.715 92.2 77.0 -58.6 -18.6 19.1 11.9 -5.1 103 103 A S T 3< S+ 0 0 16 -4,-0.6 -1,-0.3 -3,-0.5 -2,-0.2 0.597 78.2 70.4 -68.9 -13.6 15.6 10.4 -5.4 104 104 A H T < S- 0 0 38 -3,-2.3 -1,-0.3 2,-0.1 -2,-0.1 0.435 102.9-123.3 -86.6 0.7 14.1 13.0 -3.1 105 105 A G S < S+ 0 0 48 -3,-1.4 2,-0.2 1,-0.2 -2,-0.1 0.628 75.6 108.1 70.0 12.7 14.5 15.9 -5.5 106 106 A K S S- 0 0 61 -5,-0.4 -1,-0.2 1,-0.1 -19,-0.2 -0.664 81.8 -75.9-114.8 172.7 16.6 18.0 -3.1 107 107 A V B -g 87 0B 11 -21,-2.5 -19,-2.8 -2,-0.2 2,-0.4 -0.383 46.2-153.8 -66.3 143.6 20.3 18.9 -3.1 108 108 A V E -c 38 0A 0 -71,-0.8 -69,-3.4 -21,-0.2 2,-0.4 -0.989 6.6-163.4-126.7 129.0 22.5 16.1 -1.9 109 109 A V E +c 39 0A 0 -2,-0.4 2,-0.3 -21,-0.4 -69,-0.2 -0.915 17.3 171.7-110.9 136.4 25.9 16.6 -0.3 110 110 A T E -c 40 0A 0 -71,-2.2 -69,-2.4 -2,-0.4 -17,-0.1 -0.959 22.6-158.3-144.3 160.2 28.4 13.7 -0.0 111 111 A G - 0 0 0 -19,-0.6 -41,-0.1 1,-0.4 -42,-0.1 -0.038 56.7 -37.7-109.1-143.0 32.0 12.9 0.9 112 112 A G - 0 0 4 -43,-0.6 -1,-0.4 -44,-0.1 7,-0.1 -0.265 41.0-167.9 -80.7 171.4 34.0 9.9 -0.2 113 113 A F + 0 0 9 1,-0.3 841,-0.3 -3,-0.1 840,-0.1 0.690 61.7 18.6-122.0 -51.0 32.8 6.3 -0.8 114 114 A Q S > S- 0 0 7 4,-0.1 3,-0.8 839,-0.1 -1,-0.3 -0.982 74.1-104.4-138.2 141.5 35.6 3.8 -1.3 115 115 A P T 3 S+ 0 0 1 0, 0.0 -53,-0.1 0, 0.0 3,-0.1 -0.153 97.7 45.6 -55.8 155.1 39.3 3.5 -0.6 116 116 A G T 3 S+ 0 0 4 1,-0.3 2,-0.3 -55,-0.2 932,-0.1 0.485 100.0 71.0 90.5 4.4 41.6 3.9 -3.5 117 117 A Q S < S- 0 0 30 -3,-0.8 -1,-0.3 58,-0.1 2,-0.2 -0.893 71.4-117.9-143.4 171.9 40.1 7.0 -5.2 118 118 A S >> - 0 0 45 -2,-0.3 4,-1.5 -3,-0.1 3,-0.8 -0.576 37.7-101.6-106.5 173.4 39.7 10.7 -4.7 119 119 A T H 3> S+ 0 0 23 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.618 120.4 70.1 -70.4 -8.7 36.6 12.8 -4.3 120 120 A A H 3> S+ 0 0 1 52,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.897 99.4 46.2 -71.5 -40.3 37.1 13.7 -8.0 121 121 A A H <> S+ 0 0 0 -3,-0.8 4,-3.2 2,-0.2 5,-0.2 0.932 112.4 51.9 -65.1 -44.5 36.2 10.1 -8.9 122 122 A V H X S+ 0 0 1 -4,-1.5 4,-2.9 1,-0.2 5,-0.3 0.957 107.2 51.0 -56.0 -52.8 33.2 10.4 -6.5 123 123 A A H X S+ 0 0 0 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.841 113.4 47.1 -56.2 -33.5 32.0 13.6 -8.1 124 124 A A H X S+ 0 0 0 -4,-1.6 4,-2.7 2,-0.2 5,-0.2 0.951 110.2 50.2 -72.7 -49.8 32.2 11.8 -11.5 125 125 A L H X S+ 0 0 0 -4,-3.2 4,-2.4 1,-0.2 -2,-0.2 0.917 114.6 46.8 -52.4 -45.3 30.4 8.6 -10.3 126 126 A V H X S+ 0 0 0 -4,-2.9 4,-1.5 -5,-0.2 -1,-0.2 0.798 109.0 52.5 -69.3 -32.3 27.7 10.9 -8.9 127 127 A A H <>S+ 0 0 0 -4,-1.4 5,-2.6 -5,-0.3 4,-0.2 0.913 111.7 48.0 -70.8 -39.4 27.4 13.0 -12.0 128 128 A E H ><5S+ 0 0 17 -4,-2.7 3,-1.4 1,-0.2 -2,-0.2 0.956 112.8 47.2 -62.9 -49.4 26.9 9.9 -14.1 129 129 A A H 3<5S+ 0 0 3 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.751 113.7 48.4 -65.0 -26.7 24.3 8.4 -11.8 130 130 A S T 3<5S- 0 0 3 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.307 110.9-117.7 -96.8 8.2 22.4 11.8 -11.6 131 131 A S T < 5 + 0 0 79 -3,-1.4 2,-0.4 -4,-0.2 -129,-0.3 0.795 57.6 161.9 60.8 28.8 22.4 12.2 -15.4 132 132 A S < - 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0 0 11 14,-0.5 14,-3.8 -2,-0.3 2,-0.3 -0.865 50.1-169.8-101.9 129.1 41.0 16.7 40.7 355 145 B Y B -P 367 0F 53 -2,-0.5 12,-0.2 12,-0.2 3,-0.1 -0.853 32.5-121.6-115.5 151.4 42.3 19.7 42.6 356 146 B E S S+ 0 0 104 10,-0.8 2,-0.3 -2,-0.3 -1,-0.1 0.923 101.5 11.6 -56.6 -44.5 40.4 22.0 44.9 357 147 B K S S- 0 0 82 9,-0.1 -1,-0.1 5,-0.1 4,-0.0 -0.935 105.0 -78.9-131.7 153.6 41.4 25.0 42.7 358 148 B D >> - 0 0 76 -2,-0.3 4,-2.4 1,-0.2 3,-1.6 -0.329 35.9-146.4 -54.3 121.6 43.0 25.0 39.2 359 149 B P T 34 S+ 0 0 59 0, 0.0 -1,-0.2 0, 0.0 6,-0.1 0.612 94.1 69.5 -66.8 -11.6 46.7 24.3 39.8 360 150 B R T 34 S+ 0 0 207 1,-0.1 3,-0.1 3,-0.1 -2,-0.1 0.358 115.5 21.1 -88.8 6.4 47.5 26.6 36.9 361 151 B I T <4 S+ 0 0 125 -3,-1.6 2,-0.4 1,-0.3 -1,-0.1 0.503 118.2 60.6-136.4 -39.4 46.4 29.7 38.8 362 152 B Y < - 0 0 129 -4,-2.4 3,-0.4 1,-0.0 -1,-0.3 -0.809 65.7-147.8-105.2 138.4 46.6 28.8 42.5 363 153 B A S S+ 0 0 75 -2,-0.4 3,-0.1 1,-0.2 -3,-0.1 -0.364 78.6 33.7 -91.2 174.6 49.6 27.7 44.4 364 154 B D S S+ 0 0 153 1,-0.2 2,-0.5 -2,-0.1 -1,-0.2 0.782 83.0 142.6 49.2 31.9 49.7 25.2 47.3 365 155 B V - 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