==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 04-JAN-07 2OFW . COMPND 2 MOLECULE: APS KINASE DOMAIN OF THE PAPS SYNTHETASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N SEKULIC,A LAVIE . 1602 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 64879.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1124 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 196 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 130 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 139 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 552 34.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 53 3.3 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 9 2 7 8 5 0 0 0 4 8 11 1 0 0 0 0 5 3 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 0 4 4 24 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 . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 8 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 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 27 A N 0 0 107 0, 0.0 2,-0.5 0, 0.0 340,-0.1 0.000 360.0 360.0 360.0 53.3 -25.1 37.1 74.1 2 28 A V - 0 0 37 258,-0.1 2,-0.4 255,-0.1 724,-0.0 -0.947 360.0-172.6-114.5 124.6 -22.4 34.4 74.8 3 29 A T - 0 0 30 -2,-0.5 255,-0.1 723,-0.1 254,-0.1 -0.982 28.3-103.4-129.1 129.6 -19.7 33.7 72.1 4 30 A Y - 0 0 112 -2,-0.4 2,-0.5 253,-0.2 254,-0.0 -0.045 24.6-150.0 -53.5 137.8 -17.1 30.9 72.1 5 31 A Q - 0 0 20 250,-0.1 2,-0.2 723,-0.0 250,-0.1 -0.957 15.4-136.9-110.5 120.1 -13.4 31.6 72.9 6 32 A A - 0 0 52 -2,-0.5 232,-0.1 1,-0.1 2,-0.0 -0.486 16.0-123.8 -76.7 144.0 -10.8 29.4 71.2 7 33 A H - 0 0 49 -2,-0.2 -1,-0.1 2,-0.1 231,-0.1 -0.249 6.4-137.9 -70.2 170.1 -7.8 28.1 73.1 8 34 A H S S+ 0 0 46 230,-0.2 2,-0.5 606,-0.1 606,-0.1 0.565 81.5 78.9-100.7 -15.5 -4.2 28.7 71.9 9 35 A V - 0 0 11 604,-0.1 -2,-0.1 3,-0.0 604,-0.1 -0.863 69.0-145.4-109.3 121.9 -3.1 25.1 72.7 10 36 A S > - 0 0 11 -2,-0.5 4,-1.7 602,-0.4 3,-0.2 -0.269 27.4-110.8 -75.2 160.9 -3.8 22.1 70.4 11 37 A R H > S+ 0 0 66 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.859 115.9 59.3 -58.6 -38.8 -4.4 18.5 71.6 12 38 A N H > S+ 0 0 91 1,-0.2 4,-0.9 2,-0.2 11,-0.3 0.899 106.8 45.1 -61.8 -44.6 -1.1 17.4 70.2 13 39 A K H > S+ 0 0 60 2,-0.2 4,-1.7 -3,-0.2 -1,-0.2 0.827 110.7 55.8 -62.8 -37.4 0.8 19.8 72.4 14 40 A R H X S+ 0 0 9 -4,-1.7 4,-3.1 1,-0.2 5,-0.3 0.909 106.8 49.2 -62.4 -43.7 -1.3 18.8 75.4 15 41 A G H X S+ 0 0 1 -4,-2.4 4,-0.5 1,-0.2 -1,-0.2 0.703 109.9 52.3 -68.7 -23.9 -0.4 15.1 74.9 16 42 A Q H < S+ 0 0 101 -4,-0.9 6,-0.2 6,-0.2 -1,-0.2 0.833 116.7 39.5 -72.5 -36.7 3.2 16.1 74.7 17 43 A V H < S+ 0 0 6 -4,-1.7 -2,-0.2 -5,-0.1 -3,-0.2 0.850 121.8 37.2 -87.0 -39.4 2.9 18.0 78.0 18 44 A V H < S+ 0 0 8 -4,-3.1 2,-0.4 -5,-0.1 -3,-0.2 0.967 111.8 53.6 -79.7 -56.7 0.7 15.7 80.1 19 45 A G S < S- 0 0 5 -4,-0.5 3,-0.3 -5,-0.3 2,-0.3 -0.671 78.7-131.5 -88.9 132.1 1.8 12.2 79.1 20 46 A T S S+ 0 0 74 34,-0.6 -3,-0.1 -2,-0.4 -4,-0.0 -0.670 102.3 23.6 -81.4 139.5 5.5 11.2 79.3 21 47 A R S S- 0 0 237 -2,-0.3 -1,-0.3 -5,-0.2 -5,-0.1 0.988 116.4-140.2 54.5 66.9 6.6 9.5 76.0 22 48 A G + 0 0 26 -3,-0.3 -6,-0.2 -6,-0.2 -2,-0.1 0.834 52.0 142.5 -43.9-132.2 3.7 11.6 74.8 23 49 A G - 0 0 43 -11,-0.3 2,-0.5 -4,-0.1 -4,-0.1 0.465 61.6 -94.8 84.7 123.7 0.9 11.0 72.2 24 50 A F + 0 0 54 1,-0.1 -12,-0.1 -6,-0.0 75,-0.1 -0.603 49.2 164.6 -71.5 116.9 -2.5 12.4 73.0 25 51 A R + 0 0 45 -2,-0.5 2,-0.1 73,-0.5 -1,-0.1 -0.037 13.7 153.9-126.4 31.6 -4.6 9.7 74.6 26 52 A G + 0 0 3 69,-0.2 2,-0.3 74,-0.1 74,-0.2 -0.393 20.7 132.7 -60.5 126.7 -7.5 11.7 76.0 27 53 A C E -a 100 0A 0 72,-1.6 74,-3.2 -2,-0.1 2,-0.4 -0.966 48.1-114.8-161.8 177.9 -10.7 9.6 76.4 28 54 A T E -ab 101 127A 0 98,-1.8 100,-3.0 -2,-0.3 2,-0.7 -0.998 10.3-159.2-129.6 133.2 -13.6 8.6 78.6 29 55 A I E -ab 102 128A 1 72,-3.1 74,-2.5 -2,-0.4 2,-0.9 -0.930 17.0-159.9-109.2 104.8 -14.3 5.2 80.1 30 56 A W E -ab 103 129A 0 98,-2.3 100,-2.8 -2,-0.7 2,-0.3 -0.764 4.0-165.2 -97.1 104.1 -18.0 5.1 81.0 31 57 A L E -ab 104 130A 2 72,-2.6 74,-1.3 -2,-0.9 2,-0.3 -0.635 11.7-179.9 -86.7 139.9 -19.0 2.5 83.5 32 58 A T E + b 0 131A 0 98,-1.9 100,-2.7 -2,-0.3 2,-0.2 -0.988 20.1 94.2-144.3 144.9 -22.7 1.7 83.8 33 59 A G - 0 0 0 73,-1.7 100,-0.1 -2,-0.3 3,-0.1 -0.833 63.5 -41.4 151.8 168.1 -24.7 -0.7 86.0 34 60 A L > - 0 0 18 98,-0.3 3,-1.6 -2,-0.2 5,-0.3 -0.114 68.8 -84.3 -59.2 153.4 -26.7 -1.4 89.1 35 61 A S T 3 S+ 0 0 30 1,-0.3 -1,-0.2 125,-0.2 108,-0.1 -0.428 117.8 17.5 -61.9 124.9 -25.8 -0.1 92.6 36 62 A G T 3 S+ 0 0 35 -2,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.621 89.5 118.6 84.8 17.0 -23.2 -2.5 94.2 37 63 A A S < S- 0 0 0 -3,-1.6 -2,-0.1 -4,-0.1 141,-0.1 0.765 89.9 -93.7 -84.5 -27.6 -22.3 -4.1 90.9 38 64 A G S > S+ 0 0 14 -4,-0.3 4,-2.8 -5,-0.1 5,-0.2 0.586 80.6 129.4 128.8 16.5 -18.6 -3.1 91.0 39 65 A K H > S+ 0 0 15 -5,-0.3 4,-3.1 2,-0.2 5,-0.2 0.929 80.9 41.4 -67.3 -51.3 -18.1 0.2 89.2 40 66 A T H > S+ 0 0 54 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.934 116.0 51.4 -65.0 -46.2 -16.2 2.1 91.9 41 67 A T H > S+ 0 0 83 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.961 115.3 42.0 -51.1 -55.7 -14.2 -0.9 92.7 42 68 A V H X S+ 0 0 3 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.894 114.5 50.5 -63.4 -42.8 -13.3 -1.4 89.0 43 69 A S H X S+ 0 0 0 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.849 108.7 50.6 -68.3 -34.2 -12.7 2.3 88.3 44 70 A M H X S+ 0 0 63 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.866 112.7 46.3 -72.1 -34.0 -10.3 2.8 91.3 45 71 A A H X S+ 0 0 22 -4,-1.6 4,-2.6 -5,-0.3 -1,-0.2 0.749 112.8 50.8 -73.0 -27.2 -8.1 -0.2 90.3 46 72 A L H X S+ 0 0 2 -4,-1.5 4,-2.8 2,-0.2 -2,-0.2 0.917 110.3 48.4 -75.9 -43.9 -8.1 1.0 86.7 47 73 A E H X S+ 0 0 7 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.896 113.3 49.5 -57.7 -42.7 -7.0 4.4 87.8 48 74 A E H X S+ 0 0 96 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.953 111.4 47.3 -61.5 -53.1 -4.3 2.7 90.0 49 75 A Y H < S+ 0 0 59 -4,-2.6 4,-0.5 1,-0.2 -2,-0.2 0.933 114.2 48.8 -52.4 -48.2 -3.1 0.5 87.1 50 76 A L H ><>S+ 0 0 0 -4,-2.8 5,-2.7 1,-0.2 3,-1.1 0.896 111.3 46.3 -64.6 -47.3 -3.0 3.6 84.8 51 77 A V H ><5S+ 0 0 4 -4,-2.5 3,-1.5 1,-0.2 -1,-0.2 0.853 109.1 58.1 -61.0 -37.0 -1.1 5.9 87.2 52 78 A C T 3<5S+ 0 0 82 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.588 107.4 48.0 -70.7 -10.6 1.3 2.9 87.8 53 79 A H T < 5S- 0 0 115 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.075 123.5-102.1-117.4 23.8 2.0 2.8 84.1 54 80 A G T < 5S+ 0 0 25 -3,-1.5 -34,-0.6 1,-0.2 -3,-0.2 0.583 78.9 133.7 75.3 14.7 2.6 6.6 83.7 55 81 A I < - 0 0 13 -5,-2.7 -1,-0.2 -6,-0.2 -2,-0.2 -0.884 52.9-132.1-103.5 109.3 -0.8 7.4 82.2 56 82 A P + 0 0 6 0, 0.0 44,-1.9 0, 0.0 2,-0.3 -0.311 40.1 152.7 -57.3 134.5 -2.6 10.4 83.8 57 83 A C E -c 100 0A 3 42,-0.2 2,-0.3 234,-0.1 44,-0.2 -0.969 30.2-151.4-158.6 163.1 -6.2 9.9 84.7 58 84 A Y E -c 101 0A 15 42,-1.6 44,-2.5 -2,-0.3 2,-0.4 -0.986 14.0-140.2-144.2 145.6 -9.1 11.0 87.0 59 85 A T E -c 102 0A 11 -2,-0.3 2,-0.6 42,-0.2 44,-0.2 -0.915 7.2-163.2-109.7 132.5 -12.1 9.1 88.3 60 86 A L E -c 103 0A 2 42,-3.1 44,-2.1 -2,-0.4 2,-0.4 -0.957 13.1-169.4-113.7 110.6 -15.5 10.7 88.6 61 87 A D E > -c 104 0A 7 -2,-0.6 4,-2.6 42,-0.2 5,-0.3 -0.856 25.8-132.5-113.5 137.0 -17.7 8.7 90.8 62 88 A G H > S+ 0 0 6 42,-2.1 4,-3.2 -2,-0.4 5,-0.2 0.938 108.1 52.7 -54.4 -51.0 -21.4 9.4 91.1 63 89 A D H 4 S+ 0 0 114 41,-0.3 4,-0.3 2,-0.2 -1,-0.3 0.858 114.0 42.9 -50.6 -43.3 -21.3 9.3 94.8 64 90 A N H >> S+ 0 0 90 2,-0.2 3,-1.4 1,-0.2 4,-0.6 0.959 116.5 45.8 -70.9 -60.9 -18.4 11.8 95.0 65 91 A I H ><>S+ 0 0 6 -4,-2.6 5,-2.9 1,-0.2 3,-1.0 0.837 105.7 63.6 -33.7 -47.2 -19.8 14.2 92.3 66 92 A R T 3<5S+ 0 0 38 -4,-3.2 -1,-0.2 -5,-0.3 -2,-0.2 0.607 102.8 47.3 -73.3 -8.2 -23.2 13.9 94.0 67 93 A Q T <45S+ 0 0 148 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.524 129.3 19.2-102.1 -7.6 -21.8 15.6 97.1 68 94 A G T X<5S+ 0 0 10 -3,-1.0 3,-1.5 -4,-0.6 4,-0.2 0.485 133.5 17.2-116.9 -96.2 -20.1 18.4 95.1 69 95 A L T 3 5S+ 0 0 3 1,-0.3 3,-0.3 214,-0.2 -3,-0.2 0.858 138.9 31.3 -47.8 -43.0 -21.1 19.4 91.5 70 96 A N T > S- 0 0 43 1,-0.1 4,-2.1 4,-0.0 3,-0.3 -0.379 78.5-104.0 -63.5 156.5 -36.2 11.6 89.6 77 103 A P H > S+ 0 0 61 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.872 124.1 50.9 -49.3 -39.6 -35.8 10.7 85.9 78 104 A E H > S+ 0 0 128 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.860 108.8 49.4 -72.5 -34.1 -35.2 14.3 85.2 79 105 A D H > S+ 0 0 52 -3,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.848 110.8 50.0 -73.8 -30.6 -32.5 14.7 87.8 80 106 A R H X S+ 0 0 14 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.891 108.2 53.7 -74.6 -37.8 -30.7 11.6 86.6 81 107 A E H X S+ 0 0 94 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.935 115.2 40.2 -52.6 -48.5 -30.8 13.0 83.1 82 108 A E H X S+ 0 0 29 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.865 112.3 56.0 -75.1 -35.3 -29.2 16.2 84.4 83 109 A N H X S+ 0 0 10 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.972 114.7 39.3 -53.9 -58.8 -26.8 14.3 86.7 84 110 A V H X S+ 0 0 5 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.856 113.3 56.4 -59.4 -39.9 -25.5 12.3 83.7 85 111 A R H X S+ 0 0 24 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.941 108.6 45.8 -64.0 -49.2 -25.6 15.4 81.3 86 112 A R H X S+ 0 0 8 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.913 113.3 48.3 -59.9 -45.9 -23.3 17.5 83.5 87 113 A I H X S+ 0 0 0 -4,-1.8 4,-3.0 -5,-0.2 -1,-0.2 0.827 107.9 55.5 -70.5 -29.1 -20.8 14.7 84.2 88 114 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.925 109.9 47.1 -61.7 -46.9 -20.7 14.0 80.4 89 115 A E H X S+ 0 0 31 -4,-2.3 4,-1.0 2,-0.2 -2,-0.2 0.884 113.7 47.7 -60.0 -39.0 -19.8 17.6 79.9 90 116 A V H >X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 3,-1.0 0.972 110.4 50.8 -68.0 -51.4 -17.2 17.4 82.7 91 117 A A H 3X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.3 5,-0.2 0.814 104.6 59.1 -51.5 -38.9 -15.6 14.2 81.3 92 118 A K H 3X S+ 0 0 65 -4,-1.9 4,-1.3 2,-0.2 -1,-0.3 0.830 104.6 50.1 -60.7 -36.3 -15.3 15.8 77.9 93 119 A L H S+ 0 0 0 -4,-1.6 5,-2.0 2,-0.2 4,-0.8 0.912 112.9 45.4 -59.8 -47.9 -10.9 15.9 81.0 95 121 A A H <5S+ 0 0 0 -4,-2.6 3,-0.3 1,-0.2 -1,-0.2 0.822 113.2 51.3 -65.3 -28.2 -10.5 13.9 77.8 96 122 A D H <5S+ 0 0 24 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.818 104.9 57.1 -77.4 -26.5 -9.9 17.2 76.0 97 123 A A H <5S- 0 0 1 -4,-1.6 -1,-0.2 2,-0.1 -2,-0.2 0.682 126.0 -99.4 -74.7 -20.8 -7.2 18.1 78.6 98 124 A G T <5S+ 0 0 4 -4,-0.8 -73,-0.5 1,-0.4 2,-0.2 0.344 81.9 122.1 116.6 -0.9 -5.3 14.9 77.8 99 125 A L < - 0 0 0 -5,-2.0 -72,-1.6 -73,-0.1 2,-0.8 -0.575 67.2-118.4 -94.5 152.0 -6.4 12.6 80.6 100 126 A V E -ac 27 57A 0 -44,-1.9 -42,-1.6 -74,-0.2 2,-0.5 -0.836 37.8-154.8 -81.2 111.5 -8.1 9.2 80.6 101 127 A C E -ac 28 58A 0 -74,-3.2 -72,-3.1 -2,-0.8 2,-0.5 -0.842 8.0-163.4 -95.2 130.8 -11.4 10.1 82.4 102 128 A I E -ac 29 59A 0 -44,-2.5 -42,-3.1 -2,-0.5 2,-0.4 -0.969 5.0-169.1-115.5 119.4 -13.1 7.2 84.2 103 129 A T E -ac 30 60A 0 -74,-2.5 -72,-2.6 -2,-0.5 2,-0.3 -0.882 10.2-173.4-108.9 143.1 -16.8 7.6 85.2 104 130 A S E +ac 31 61A 1 -44,-2.1 -42,-2.1 -2,-0.4 2,-0.4 -0.776 29.6 138.2-137.2 86.8 -18.7 5.3 87.5 105 131 A F - 0 0 3 -74,-1.3 -72,-0.3 -2,-0.3 -2,-0.1 -0.971 60.5-122.3-127.2 141.4 -22.4 6.3 87.6 106 132 A I - 0 0 38 -2,-0.4 -73,-1.7 -74,-0.2 -1,-0.1 0.941 40.5-178.8 -45.1 -50.8 -25.4 4.0 87.6 107 133 A S - 0 0 5 -75,-0.2 6,-0.1 1,-0.1 -2,-0.1 0.937 0.9-178.5 42.1 70.0 -26.5 5.9 84.5 108 134 A P + 0 0 6 0, 0.0 59,-2.5 0, 0.0 2,-0.6 0.413 51.3 80.5 -81.9 -4.5 -29.8 3.8 84.0 109 135 A Y > - 0 0 49 1,-0.1 4,-1.8 57,-0.1 3,-0.4 -0.931 61.5-155.8-113.1 119.2 -31.1 5.4 80.8 110 136 A T H > S+ 0 0 23 -2,-0.6 4,-2.4 1,-0.2 5,-0.2 0.855 94.4 58.4 -52.7 -44.8 -29.8 4.4 77.4 111 137 A Q H > S+ 0 0 120 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.867 108.5 46.7 -55.3 -39.7 -30.8 7.8 75.8 112 138 A D H > S+ 0 0 16 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.866 110.7 50.3 -75.6 -38.4 -28.7 9.7 78.4 113 139 A R H X S+ 0 0 0 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.854 111.3 50.3 -65.2 -36.9 -25.6 7.3 77.9 114 140 A N H X S+ 0 0 65 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.795 108.8 51.4 -68.0 -33.9 -25.9 7.8 74.1 115 141 A N H X S+ 0 0 70 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.926 108.0 52.2 -67.1 -44.5 -26.0 11.6 74.6 116 142 A A H X S+ 0 0 0 -4,-2.0 4,-1.1 1,-0.2 -2,-0.2 0.898 110.2 49.2 -57.1 -42.6 -22.9 11.4 76.7 117 143 A R H X S+ 0 0 35 -4,-1.7 4,-3.7 1,-0.2 -1,-0.2 0.867 109.1 51.5 -63.2 -39.6 -21.2 9.5 73.9 118 144 A Q H X S+ 0 0 96 -4,-1.6 4,-2.0 1,-0.2 5,-0.2 0.777 102.5 59.5 -72.4 -31.5 -22.3 12.0 71.3 119 145 A I H X S+ 0 0 26 -4,-2.0 4,-0.8 2,-0.2 -1,-0.2 0.868 116.4 35.0 -60.6 -38.6 -20.8 14.8 73.3 120 146 A H H <>S+ 0 0 0 -4,-1.1 5,-2.6 -5,-0.2 -2,-0.2 0.934 118.2 47.9 -80.5 -53.2 -17.5 13.0 73.0 121 147 A E H ><5S+ 0 0 25 -4,-3.7 3,-1.5 1,-0.2 -3,-0.2 0.873 108.6 56.8 -63.4 -35.0 -17.7 11.6 69.5 122 148 A G H 3<5S+ 0 0 20 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.938 109.7 45.1 -54.0 -48.8 -18.9 15.0 68.2 123 149 A A T 3<5S- 0 0 20 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.309 123.5-110.0 -80.6 9.3 -15.7 16.5 69.6 124 150 A S T < 5S+ 0 0 30 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.858 72.3 140.5 62.8 39.2 -13.7 13.5 68.1 125 151 A L < - 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