==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 14-JUL-08 3DSQ . COMPND 2 MOLECULE: PYRROLYSYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFITOBACTERIUM HAFNIENSE; . AUTHOR M.M.LEE,M.K.CHAN . 560 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26772.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 391 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 102 18.2 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 . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.1 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 0.2 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 . 39 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 166 29.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 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 2 2 0 0 0 4 0 2 0 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 2 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 0 0 PARALLEL BRIDGES PER LADDER . 3 3 2 1 2 3 2 0 0 2 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 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 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 8 A P > 0 0 139 0, 0.0 3,-1.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 -62.6 32.1 2.5 23.5 2 9 A P T 3 - 0 0 105 0, 0.0 28,-0.1 0, 0.0 26,-0.0 -0.312 360.0 -0.3 -55.5 119.8 32.1 3.8 19.9 3 10 A L T 3 S+ 0 0 104 -2,-0.1 27,-0.3 1,-0.1 28,-0.0 0.936 87.4 146.7 65.1 49.0 28.9 5.9 19.6 4 11 A S < + 0 0 69 -3,-1.2 2,-0.6 25,-0.5 26,-0.2 0.093 36.9 97.6-102.9 20.6 27.8 5.2 23.2 5 12 A S B -A 29 0A 22 24,-1.7 24,-1.6 26,-0.1 2,-0.2 -0.953 55.1-179.5-110.8 116.3 26.2 8.5 23.8 6 13 A F - 0 0 114 -2,-0.6 22,-0.1 22,-0.2 20,-0.1 -0.647 35.7 -66.5-113.8 171.3 22.4 8.3 23.4 7 14 A W - 0 0 22 20,-0.5 -1,-0.2 18,-0.2 2,-0.1 -0.144 50.4-121.6 -52.8 144.2 19.4 10.7 23.6 8 15 A T > - 0 0 60 1,-0.1 4,-2.5 -3,-0.1 5,-0.2 -0.386 34.5 -98.2 -80.0 168.6 18.6 12.0 27.0 9 16 A K H > S+ 0 0 156 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.942 126.7 46.4 -52.3 -50.3 15.1 11.3 28.3 10 17 A V H > S+ 0 0 103 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.900 112.6 48.0 -59.7 -46.1 14.0 14.8 27.2 11 18 A Q H > S+ 0 0 21 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.842 111.6 52.1 -65.7 -33.2 15.5 14.5 23.8 12 19 A Y H X S+ 0 0 83 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.915 111.2 44.7 -69.7 -45.1 14.0 11.1 23.3 13 20 A Q H X S+ 0 0 108 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.903 112.9 51.6 -66.4 -42.6 10.5 12.1 24.1 14 21 A R H X S+ 0 0 28 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.928 111.6 46.1 -60.3 -46.9 10.7 15.3 22.0 15 22 A L H <>S+ 0 0 0 -4,-2.0 5,-2.2 1,-0.2 -1,-0.2 0.841 110.0 56.3 -64.7 -32.7 11.9 13.3 19.0 16 23 A K H ><5S+ 0 0 55 -4,-1.7 3,-1.4 1,-0.2 245,-0.3 0.895 105.9 49.1 -66.2 -40.9 9.1 10.8 19.7 17 24 A E H 3<5S+ 0 0 47 -4,-2.2 259,-0.4 1,-0.3 -1,-0.2 0.829 108.3 54.5 -65.6 -34.0 6.5 13.6 19.5 18 25 A L T 3<5S- 0 0 19 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.389 119.4-115.7 -80.4 4.3 8.1 14.7 16.3 19 26 A N T < 5 - 0 0 40 -3,-1.4 -3,-0.2 -5,-0.1 -2,-0.1 0.949 40.8-165.2 59.3 53.2 7.6 11.2 15.0 20 27 A A < - 0 0 2 -5,-2.2 -1,-0.1 1,-0.1 23,-0.0 -0.369 31.3-106.0 -66.0 151.2 11.3 10.4 14.6 21 28 A S - 0 0 56 1,-0.2 -1,-0.1 -2,-0.0 2,-0.1 0.605 36.8-123.2 -55.7 -20.2 12.0 7.3 12.6 22 29 A G S > S+ 0 0 17 1,-0.1 4,-0.8 5,-0.0 -1,-0.2 -0.221 110.7 69.2 100.1 -45.7 13.0 5.1 15.4 23 30 A E H >> S+ 0 0 142 2,-0.2 3,-1.7 1,-0.2 4,-0.6 0.962 101.7 47.4 -65.2 -49.2 16.3 4.5 13.8 24 31 A Q H >4 S+ 0 0 31 1,-0.3 3,-0.6 2,-0.2 -1,-0.2 0.812 106.7 59.3 -57.4 -32.1 16.9 8.1 14.7 25 32 A L H 34 S+ 0 0 6 1,-0.2 -1,-0.3 -10,-0.1 -18,-0.2 0.685 108.7 42.6 -72.8 -18.6 15.7 7.2 18.1 26 33 A E H << S+ 0 0 135 -3,-1.7 -1,-0.2 -4,-0.8 -2,-0.2 0.371 83.8 131.6-108.1 2.6 18.4 4.6 18.6 27 34 A M << - 0 0 79 -3,-0.6 -20,-0.5 -4,-0.6 2,-0.3 -0.216 41.1-155.2 -57.6 143.5 21.2 6.7 17.2 28 35 A G - 0 0 15 -22,-0.1 2,-0.3 -24,-0.0 -22,-0.2 -0.798 5.4-155.2-118.6 163.1 24.4 6.8 19.3 29 36 A F B -A 5 0A 34 -24,-1.6 -24,-1.7 -2,-0.3 -25,-0.5 -0.864 29.7-115.0-136.3 169.8 27.2 9.4 19.4 30 37 A S S S- 0 0 96 -2,-0.3 2,-0.3 -27,-0.3 -26,-0.1 0.697 92.8 -13.6 -77.2 -20.3 30.9 9.8 20.3 31 38 A D S > S- 0 0 61 -26,-0.2 4,-1.3 1,-0.1 -1,-0.1 -0.983 72.5 -87.9-168.9 175.8 30.1 12.1 23.2 32 39 A A H > S+ 0 0 47 -2,-0.3 4,-1.7 1,-0.2 5,-0.1 0.796 120.3 47.3 -65.9 -34.2 27.6 14.4 25.1 33 40 A L H > S+ 0 0 136 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.894 110.8 50.0 -76.8 -41.0 28.3 17.5 23.1 34 41 A S H > S+ 0 0 45 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.803 110.8 53.8 -65.9 -28.7 28.2 15.8 19.6 35 42 A R H X S+ 0 0 45 -4,-1.3 4,-3.1 2,-0.2 3,-0.3 0.968 106.5 47.4 -69.8 -56.0 24.8 14.4 20.7 36 43 A D H X S+ 0 0 45 -4,-1.7 4,-2.3 1,-0.3 -2,-0.2 0.867 112.2 51.5 -54.3 -39.3 23.1 17.6 21.7 37 44 A R H X S+ 0 0 184 -4,-1.8 4,-1.5 1,-0.2 -1,-0.3 0.871 110.8 48.5 -67.3 -34.7 24.3 19.1 18.4 38 45 A A H X S+ 0 0 14 -4,-1.3 4,-2.9 -3,-0.3 5,-0.3 0.905 107.9 56.0 -70.3 -40.5 22.8 16.2 16.6 39 46 A F H X S+ 0 0 27 -4,-3.1 4,-3.1 1,-0.2 5,-0.2 0.972 106.9 48.0 -52.3 -61.3 19.6 16.6 18.6 40 47 A Q H X S+ 0 0 129 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.839 113.8 48.0 -49.4 -40.8 19.2 20.2 17.5 41 48 A G H X S+ 0 0 40 -4,-1.5 4,-1.4 2,-0.2 -1,-0.2 0.936 114.3 44.5 -68.7 -46.3 19.8 19.2 13.9 42 49 A I H X S+ 0 0 19 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.862 113.0 51.8 -67.1 -36.8 17.4 16.3 13.9 43 50 A E H X S+ 0 0 41 -4,-3.1 4,-2.9 -5,-0.3 5,-0.2 0.967 108.7 48.0 -64.8 -53.7 14.7 18.2 15.7 44 51 A H H X S+ 0 0 137 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.826 111.2 54.3 -56.7 -31.4 14.7 21.2 13.3 45 52 A Q H X S+ 0 0 106 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.913 110.8 43.7 -68.1 -45.4 14.6 18.7 10.5 46 53 A L H X S+ 0 0 4 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.859 113.0 52.9 -69.1 -34.0 11.5 17.0 11.9 47 54 A M H X S+ 0 0 22 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.889 109.6 47.1 -68.3 -39.5 9.9 20.3 12.7 48 55 A S H X S+ 0 0 46 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.897 112.3 52.6 -65.2 -39.7 10.4 21.5 9.1 49 56 A Q H X S+ 0 0 90 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.879 109.3 47.9 -62.2 -42.7 9.0 18.1 8.1 50 57 A G H X S+ 0 0 13 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.917 108.3 54.5 -66.6 -43.0 5.9 18.6 10.3 51 58 A K H X S+ 0 0 83 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.834 109.2 48.0 -59.8 -35.4 5.3 22.1 8.9 52 59 A R H X S+ 0 0 154 -4,-1.7 4,-1.1 2,-0.2 3,-0.3 0.838 108.3 54.6 -74.7 -33.7 5.3 20.8 5.4 53 60 A H H X S+ 0 0 73 -4,-1.6 4,-1.1 1,-0.2 3,-0.4 0.873 105.0 53.8 -66.3 -36.3 2.9 18.0 6.3 54 61 A L H X S+ 0 0 1 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.727 100.4 62.2 -69.6 -21.7 0.5 20.7 7.7 55 62 A E H X S+ 0 0 70 -4,-0.6 4,-2.9 -3,-0.3 5,-0.5 0.853 99.4 53.3 -70.5 -34.7 0.7 22.4 4.4 56 63 A Q H X>S+ 0 0 84 -4,-1.1 5,-2.7 -3,-0.4 4,-1.8 0.869 112.2 45.9 -66.5 -34.8 -0.8 19.3 2.8 57 64 A L H <>S+ 0 0 0 -4,-1.1 5,-1.7 3,-0.2 -2,-0.2 0.888 115.9 46.0 -73.0 -41.2 -3.6 19.6 5.3 58 65 A R H <5S+ 0 0 89 -4,-2.4 -2,-0.2 1,-0.1 -3,-0.2 0.839 131.0 17.4 -71.9 -35.4 -3.9 23.4 4.7 59 66 A T H <5S+ 0 0 75 -4,-2.9 -3,-0.2 -5,-0.1 -2,-0.2 0.641 133.0 28.0-114.4 -18.0 -3.9 23.3 0.9 60 67 A V T <5S+ 0 0 95 -4,-1.8 -3,-0.2 -5,-0.5 -4,-0.1 0.839 125.8 19.5-108.8 -62.5 -4.7 19.7 -0.2 61 68 A K T < - 0 0 32 -5,-2.7 -4,-0.2 2,-0.0 -3,-0.1 0.912 67.3-159.4 -80.7 -47.3 -6.8 17.7 2.2 62 69 A H S - 0 0 6 0, 0.0 4,-2.2 0, 0.0 3,-0.5 -0.229 38.8 -96.8 -75.6 166.2 -6.9 15.2 9.1 65 72 A A H > S+ 0 0 6 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.822 119.2 57.6 -48.5 -44.8 -6.3 11.5 8.6 66 73 A L H > S+ 0 0 2 1,-0.2 4,-2.1 199,-0.2 -1,-0.2 0.935 112.1 40.6 -57.1 -47.6 -8.8 10.4 11.2 67 74 A L H > S+ 0 0 20 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.847 115.2 52.1 -69.8 -33.8 -11.6 12.2 9.3 68 75 A E H X S+ 0 0 74 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.931 111.9 45.8 -67.1 -45.5 -10.3 11.2 5.9 69 76 A L H X S+ 0 0 5 -4,-3.3 4,-3.0 1,-0.2 5,-0.2 0.873 109.8 56.5 -64.9 -37.6 -10.2 7.5 7.0 70 77 A E H X S+ 0 0 51 -4,-2.1 4,-2.3 -5,-0.3 -2,-0.2 0.946 110.7 41.8 -60.7 -48.8 -13.7 7.9 8.5 71 78 A E H X S+ 0 0 35 -4,-2.1 4,-2.2 1,-0.2 5,-0.2 0.926 115.8 50.6 -64.6 -42.8 -15.3 9.0 5.3 72 79 A K H X S+ 0 0 129 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.919 112.4 45.9 -60.8 -47.0 -13.3 6.5 3.3 73 80 A L H X S+ 0 0 1 -4,-3.0 4,-2.0 2,-0.2 5,-0.2 0.945 111.3 51.9 -61.8 -50.2 -14.3 3.6 5.5 74 81 A A H X S+ 0 0 6 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.906 111.0 46.4 -53.4 -50.0 -18.0 4.6 5.7 75 82 A K H X S+ 0 0 63 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.923 107.9 56.6 -62.1 -44.3 -18.4 4.8 1.9 76 83 A A H < S+ 0 0 18 -4,-2.0 4,-0.4 1,-0.2 -1,-0.2 0.906 112.7 42.3 -53.3 -43.5 -16.6 1.5 1.4 77 84 A L H ><>S+ 0 0 1 -4,-2.0 5,-2.3 1,-0.2 3,-1.0 0.814 106.3 59.5 -74.7 -33.2 -19.2 -0.1 3.6 78 85 A H H ><5S+ 0 0 22 -4,-2.2 3,-1.4 1,-0.3 -1,-0.2 0.884 102.3 58.1 -61.4 -33.0 -22.1 1.7 2.1 79 86 A Q T 3<5S+ 0 0 152 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.704 103.2 51.7 -68.2 -21.6 -21.0 -0.0 -1.1 80 87 A Q T < 5S- 0 0 69 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.224 126.1 -97.0-100.2 13.4 -21.4 -3.4 0.5 81 88 A G T < 5S+ 0 0 33 -3,-1.4 2,-0.5 1,-0.3 62,-0.3 0.656 73.0 148.0 84.8 15.1 -24.9 -2.8 1.7 82 89 A F < - 0 0 0 -5,-2.3 2,-0.5 -8,-0.1 -1,-0.3 -0.733 40.8-141.3 -88.5 129.0 -24.1 -1.7 5.3 83 90 A V E -b 144 0B 4 60,-3.3 62,-1.7 -2,-0.5 2,-0.3 -0.758 18.3-137.8 -87.1 127.4 -26.5 0.8 6.8 84 91 A Q E -b 145 0B 16 265,-3.7 2,-0.3 -2,-0.5 62,-0.2 -0.664 21.9-170.0 -87.2 139.5 -24.6 3.3 9.0 85 92 A V - 0 0 3 60,-2.8 62,-0.4 -2,-0.3 2,-0.4 -0.883 16.4-152.6-127.4 160.2 -26.0 4.3 12.3 86 93 A V + 0 0 15 -2,-0.3 467,-1.5 467,-0.1 267,-0.1 -0.962 24.6 175.0-136.4 113.7 -25.2 7.0 14.9 87 94 A T - 0 0 0 -2,-0.4 465,-0.1 465,-0.3 467,-0.1 -0.617 38.0 -66.3-115.1 172.6 -26.1 6.2 18.5 88 95 A P - 0 0 21 0, 0.0 -1,-0.1 0, 0.0 38,-0.1 -0.245 24.6-153.2 -62.1 146.0 -25.7 7.8 21.9 89 96 A T S S+ 0 0 1 463,-0.1 31,-2.7 30,-0.1 2,-0.6 0.487 85.1 74.5 -91.2 -8.1 -22.2 8.1 23.4 90 97 A I E +H 119 0C 25 29,-0.2 2,-0.3 27,-0.0 29,-0.2 -0.936 68.9 179.4-106.7 119.8 -23.9 8.1 26.8 91 98 A I E -H 118 0C 8 27,-2.7 27,-2.2 -2,-0.6 2,-0.1 -0.793 26.2-102.6-118.4 163.9 -25.1 4.6 27.8 92 99 A T E > -H 117 0C 75 -2,-0.3 4,-2.1 25,-0.2 25,-0.2 -0.432 21.5-122.2 -85.5 159.2 -26.9 3.2 30.9 93 100 A K H > S+ 0 0 101 23,-2.1 4,-2.2 1,-0.2 5,-0.1 0.879 115.4 56.3 -62.7 -38.0 -25.4 1.1 33.7 94 101 A S H > S+ 0 0 80 22,-0.3 4,-1.3 1,-0.2 -1,-0.2 0.886 106.9 48.0 -61.6 -41.8 -27.9 -1.6 32.9 95 102 A A H 4 S+ 0 0 14 1,-0.2 3,-0.3 2,-0.2 4,-0.2 0.919 110.5 51.0 -66.8 -43.5 -26.7 -1.7 29.3 96 103 A L H >< S+ 0 0 0 -4,-2.1 3,-1.6 1,-0.2 4,-0.4 0.884 106.4 55.8 -61.2 -39.0 -23.0 -1.9 30.3 97 104 A A H >< S+ 0 0 41 -4,-2.2 3,-1.4 1,-0.3 -1,-0.2 0.844 98.0 61.6 -63.5 -33.8 -23.8 -4.8 32.7 98 105 A K T 3< S+ 0 0 76 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.532 99.3 58.6 -71.2 -3.3 -25.3 -6.8 29.9 99 106 A M T < S+ 0 0 16 -3,-1.6 2,-0.3 -4,-0.2 -1,-0.3 0.575 77.8 114.3 -98.7 -13.3 -21.9 -6.7 28.3 100 107 A T S < S- 0 0 20 -3,-1.4 2,-1.8 -4,-0.4 -3,-0.0 -0.428 73.4-126.8 -64.1 118.2 -20.2 -8.4 31.3 101 108 A I S S- 0 0 73 -2,-0.3 2,-0.5 1,-0.1 -1,-0.1 -0.482 90.8 -14.0 -67.9 88.5 -18.8 -11.8 30.3 102 109 A G 0 0 44 -2,-1.8 -2,-0.1 -4,-0.1 -1,-0.1 -0.946 360.0 360.0 121.9-108.0 -20.5 -13.6 33.1 103 110 A E 0 0 215 -2,-0.5 -2,-0.1 -4,-0.1 -1,-0.1 -0.174 360.0 360.0 171.0 360.0 -21.9 -11.4 35.8 104 ! 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 0.0 105 113 A P 0 0 124 0, 0.0 3,-0.5 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 -52.0 -15.0 -5.4 35.9 106 114 A L >> + 0 0 26 1,-0.2 3,-1.2 2,-0.1 4,-0.7 0.651 360.0 77.6 -78.7 -16.4 -15.9 -3.0 33.1 107 115 A F T 34 S+ 0 0 65 1,-0.3 3,-0.4 2,-0.2 -1,-0.2 0.811 90.2 49.8 -65.5 -33.4 -17.2 -0.6 35.6 108 116 A S T 34 S+ 0 0 75 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.425 105.4 62.5 -86.0 2.4 -13.8 0.7 36.8 109 117 A Q T <4 S+ 0 0 38 -3,-1.2 44,-3.6 44,-0.1 45,-0.5 0.635 94.2 73.4 -98.2 -19.7 -12.9 1.2 33.1 110 118 A V S < S- 0 0 0 -4,-0.7 2,-0.7 -3,-0.4 42,-0.1 -0.524 78.6-117.7 -99.9 165.4 -15.5 3.9 32.3 111 119 A F - 0 0 28 8,-0.4 8,-2.3 -2,-0.2 2,-0.3 -0.883 34.2-149.4 -97.5 113.2 -16.2 7.5 33.0 112 120 A W E -I 118 0C 62 -2,-0.7 6,-0.3 6,-0.2 3,-0.1 -0.630 20.0-169.2 -86.7 142.0 -19.5 7.8 35.0 113 121 A L E S- 0 0 28 4,-3.1 2,-0.3 1,-0.5 5,-0.2 0.687 80.1 -27.5 -94.7 -27.6 -21.7 10.8 34.6 114 122 A D E > S-I 117 0C 57 3,-1.6 3,-0.8 284,-0.0 -1,-0.5 -0.932 87.9 -67.7-169.7 176.8 -23.7 9.6 37.6 115 123 A G T 3 S+ 0 0 63 -2,-0.3 3,-0.1 1,-0.2 -3,-0.0 0.674 132.9 33.4 -53.7 -18.0 -24.6 6.3 39.3 116 124 A K T 3 S+ 0 0 113 1,-0.1 -23,-2.1 -23,-0.1 2,-0.4 0.549 112.4 58.7-116.1 -11.4 -26.6 5.3 36.2 117 125 A K E < +HI 92 114C 51 -3,-0.8 -4,-3.1 -25,-0.2 -3,-1.6 -0.944 51.5 162.0-126.5 147.7 -24.9 6.8 33.2 118 126 A C E -HI 91 112C 0 -27,-2.2 -27,-2.7 -2,-0.4 2,-0.4 -0.961 44.8 -88.7-152.6 165.7 -21.5 6.6 31.7 119 127 A L E -H 90 0C 0 -8,-2.3 -8,-0.4 -2,-0.3 -29,-0.2 -0.658 55.7-105.0 -79.0 130.6 -19.5 7.2 28.5 120 128 A R - 0 0 0 -31,-2.7 31,-3.3 -2,-0.4 3,-0.1 -0.253 26.7-165.9 -56.4 134.1 -19.7 4.2 26.2 121 129 A P S S+ 0 0 2 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.459 76.9 12.8-100.2 -0.7 -16.4 2.2 26.2 122 130 A M - 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