==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 15-JUN-11 3SGI . COMPND 2 MOLECULE: DNA LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR V.KUKSHAL,R.RAVISHANKAR . 408 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19760.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 231 56.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 69 16.9 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.2 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 . 2 0.5 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 . 43 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 61 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 1 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 0 0 PARALLEL BRIDGES PER LADDER . 7 3 0 1 2 0 2 1 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 1 1 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 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 Q 0 0 127 0, 0.0 2,-0.9 0, 0.0 52,-0.1 0.000 360.0 360.0 360.0 64.8 -13.4 40.1 -40.8 2 9 A T - 0 0 104 350,-0.1 349,-0.0 349,-0.0 353,-0.0 -0.751 360.0-136.7 -81.6 108.2 -10.8 41.8 -38.5 3 10 A A + 0 0 15 -2,-0.9 350,-0.0 1,-0.1 -1,-0.0 -0.495 27.9 176.4 -74.8 129.6 -12.4 41.3 -35.1 4 11 A P S S- 0 0 94 0, 0.0 86,-0.3 0, 0.0 -1,-0.1 0.889 81.0 -12.5-100.0 -58.9 -12.3 44.4 -32.7 5 12 A E S >> S+ 0 0 109 2,-0.1 3,-1.0 84,-0.1 4,-1.0 0.312 112.1 95.8-124.0 -4.2 -14.2 43.6 -29.5 6 13 A V H 3> S+ 0 0 13 1,-0.3 4,-0.8 2,-0.2 5,-0.1 0.775 80.4 60.1 -51.4 -31.0 -15.7 40.4 -30.9 7 14 A L H 3> S+ 0 0 57 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.810 100.9 53.5 -69.2 -32.5 -12.7 38.6 -29.2 8 15 A R H <> S+ 0 0 45 -3,-1.0 4,-0.6 2,-0.2 -2,-0.2 0.718 107.3 50.3 -73.9 -22.2 -14.0 40.0 -25.9 9 16 A Q H < S+ 0 0 87 -4,-1.0 -1,-0.2 2,-0.1 -2,-0.2 0.710 120.5 38.1 -80.6 -19.8 -17.4 38.5 -26.6 10 17 A W H >X S+ 0 0 40 -4,-0.8 4,-2.4 -5,-0.2 3,-0.6 0.815 111.2 51.1-101.0 -42.1 -15.7 35.2 -27.4 11 18 A Q H 3X S+ 0 0 41 -4,-3.2 4,-1.4 1,-0.2 5,-0.2 0.909 113.3 46.8 -67.0 -39.3 -12.8 34.8 -24.9 12 19 A A H 3< S+ 0 0 37 -4,-0.6 -1,-0.2 -5,-0.3 -2,-0.1 0.450 118.8 42.8 -83.4 -2.3 -15.0 35.5 -21.9 13 20 A L H <4 S+ 0 0 27 -3,-0.6 3,-0.3 2,-0.1 4,-0.2 0.805 114.2 43.7-103.6 -61.1 -17.7 33.1 -23.2 14 21 A A H >X S+ 0 0 5 -4,-2.4 3,-1.7 1,-0.2 4,-1.2 0.924 118.9 44.7 -48.4 -54.2 -15.7 30.1 -24.4 15 22 A E H 3X S+ 0 0 41 -4,-1.4 4,-0.6 -5,-0.4 -1,-0.2 0.718 111.0 55.4 -68.9 -20.9 -13.4 30.1 -21.4 16 23 A E H 34 S+ 0 0 44 -3,-0.3 4,-0.3 -5,-0.2 -1,-0.3 0.381 104.5 54.8 -90.6 3.6 -16.6 30.6 -19.3 17 24 A V H <> S+ 0 0 2 -3,-1.7 4,-1.2 -4,-0.2 -2,-0.2 0.639 99.7 59.2-101.7 -25.8 -18.0 27.4 -20.9 18 25 A R H X S+ 0 0 76 -4,-1.2 4,-2.3 1,-0.2 -2,-0.2 0.785 95.9 65.9 -68.1 -30.8 -14.9 25.3 -19.9 19 26 A E H X S+ 0 0 52 -4,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.920 108.0 35.8 -55.4 -50.4 -15.7 26.1 -16.3 20 27 A H H > S+ 0 0 29 -4,-0.3 4,-3.0 2,-0.2 5,-0.2 0.752 113.5 58.9 -80.9 -27.9 -19.0 24.2 -16.2 21 28 A Q H X>S+ 0 0 45 -4,-1.2 4,-1.4 2,-0.2 5,-0.5 0.818 108.6 46.3 -67.5 -35.0 -17.5 21.5 -18.5 22 29 A F H X>S+ 0 0 9 -4,-2.3 4,-2.5 3,-0.2 5,-0.6 0.989 116.7 43.7 -62.4 -63.3 -14.9 20.9 -15.9 23 30 A R H X5S+ 0 0 36 -4,-2.3 6,-1.4 1,-0.2 4,-1.0 0.847 116.1 47.0 -51.6 -45.6 -17.5 20.9 -13.1 24 31 A Y H X5S+ 0 0 77 -4,-3.0 4,-1.1 4,-0.2 -1,-0.2 0.981 126.2 24.0 -65.4 -59.4 -20.0 18.7 -14.9 25 32 A Y H <5S+ 0 0 90 -4,-1.4 -2,-0.2 -5,-0.2 -3,-0.2 0.947 127.5 42.6 -74.1 -50.2 -17.7 16.0 -16.2 26 33 A V H < S+ 0 0 118 3,-0.1 4,-2.8 2,-0.1 5,-0.3 0.709 106.2 34.3 91.9-148.6 -25.3 28.1 -28.1 43 50 A R H > S+ 0 0 158 1,-0.2 4,-0.6 2,-0.2 -3,-0.1 0.647 125.5 51.5 -49.6 -18.7 -24.6 31.9 -28.3 44 51 A L H > S+ 0 0 0 2,-0.2 4,-2.0 3,-0.1 -1,-0.2 0.926 107.9 47.0 -81.4 -58.1 -21.0 30.7 -28.5 45 52 A E H > S+ 0 0 72 1,-0.2 4,-0.8 2,-0.2 -2,-0.2 0.907 114.4 48.1 -50.6 -49.7 -21.5 28.2 -31.4 46 53 A A H >< S+ 0 0 41 -4,-2.8 3,-0.7 1,-0.2 4,-0.4 0.879 110.4 52.3 -60.1 -40.7 -23.5 30.7 -33.4 47 54 A L H >< S+ 0 0 35 -4,-0.6 3,-1.0 -5,-0.3 -1,-0.2 0.855 103.3 57.0 -64.1 -38.2 -20.8 33.4 -32.9 48 55 A E H 3< S+ 0 0 2 -4,-2.0 7,-0.4 1,-0.2 6,-0.3 0.702 105.3 51.7 -68.0 -22.6 -17.9 31.2 -34.0 49 56 A E T << S+ 0 0 107 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.577 115.8 41.1 -86.2 -13.7 -19.6 30.6 -37.4 50 57 A Q S < S+ 0 0 142 -3,-1.0 -1,-0.3 1,-0.5 -2,-0.2 -0.462 120.8 34.6 177.6 78.0 -20.1 34.3 -38.0 51 58 A H S > S- 0 0 51 -3,-0.3 3,-1.3 -50,-0.1 -1,-0.5 -0.166 95.7-178.5 -87.7 107.8 -17.7 35.8 -37.2 52 59 A P G > + 0 0 58 0, 0.0 3,-0.9 0, 0.0 -4,-0.1 0.478 62.4 75.2 -59.2 -16.4 -16.1 32.6 -38.5 53 60 A E G 3 S+ 0 0 30 1,-0.2 271,-0.2 -52,-0.1 -4,-0.1 0.499 75.8 78.4 -80.7 -4.9 -12.4 33.3 -37.7 54 61 A L G < + 0 0 18 -3,-1.3 -1,-0.2 -6,-0.3 -6,-0.1 0.496 67.1 118.6 -81.5 -4.7 -12.6 32.7 -34.0 55 62 A R < + 0 0 32 -3,-0.9 269,-0.3 -7,-0.4 7,-0.0 -0.350 37.9 174.8 -67.2 140.6 -12.6 28.9 -34.4 56 63 A T > - 0 0 25 267,-0.1 3,-2.6 -2,-0.1 5,-0.2 -0.996 43.5-118.2-147.6 143.9 -9.8 26.9 -32.8 57 64 A P T 3 S+ 0 0 20 0, 0.0 5,-0.1 0, 0.0 -1,-0.1 0.796 117.4 49.2 -46.4 -33.5 -8.9 23.2 -32.3 58 65 A D T 3 S+ 0 0 37 5,-0.1 5,-0.1 3,-0.0 -3,-0.0 0.038 80.6 122.8-102.2 23.6 -9.1 23.8 -28.6 59 66 A S X - 0 0 1 -3,-2.6 3,-0.7 3,-0.1 -4,-0.0 -0.638 65.6-133.1 -79.6 145.1 -12.5 25.5 -28.5 60 67 A P T 3 S+ 0 0 7 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.432 101.7 72.1 -79.0 3.1 -15.1 23.8 -26.3 61 68 A T T 3 S+ 0 0 10 1,-0.2 3,-0.1 -5,-0.2 -2,-0.1 -0.223 108.4 29.6-111.3 35.6 -17.5 24.2 -29.2 62 69 A Q S < S+ 0 0 78 -3,-0.7 2,-0.3 1,-0.2 -1,-0.2 0.014 117.8 66.2-177.3 42.3 -15.8 21.6 -31.3 63 70 A L + 0 0 98 -3,-0.4 -1,-0.2 -5,-0.1 -5,-0.1 -0.952 35.9 161.7-160.8 157.8 -14.5 19.4 -28.4 64 71 A V + 0 0 108 -2,-0.3 -1,-0.1 -3,-0.1 -3,-0.0 0.364 27.2 143.9-151.5 -31.0 -15.9 17.2 -25.7 65 72 A G + 0 0 57 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.225 21.7 171.3 -31.1 124.0 -13.1 14.9 -24.4 66 73 A G + 0 0 44 -41,-0.1 -40,-0.1 2,-0.0 2,-0.1 0.843 4.1 177.2 -57.0-116.8 -13.2 14.1 -20.7 67 74 A A - 0 0 54 -42,-0.1 2,-0.4 6,-0.1 0, 0.0 0.558 22.8-133.5-123.1-136.9 -11.6 12.3 -19.0 68 75 A G - 0 0 46 1,-0.1 6,-0.3 6,-0.1 -2,-0.0 -0.991 49.5 -72.6-136.9 138.7 -10.7 10.8 -15.6 69 76 A F + 0 0 131 4,-1.2 145,-0.1 -2,-0.4 -1,-0.1 0.313 57.1 141.6 -36.8 135.4 -7.4 10.0 -13.9 70 77 A A S S- 0 0 65 143,-0.2 144,-0.1 144,-0.0 -1,-0.1 0.478 118.3 -62.3-137.4 -11.9 -5.3 7.1 -15.1 71 78 A T S S+ 0 0 20 142,-0.2 -2,-0.1 74,-0.1 75,-0.0 0.269 136.2 105.9 -83.9 123.4 -3.5 9.2 -14.4 72 79 A D S S- 0 0 4 144,-0.0 2,-0.2 143,-0.0 -3,-0.1 0.522 92.8 -49.2-108.1 -51.2 -4.9 11.5 -17.0 73 80 A F + 0 0 9 73,-0.0 -4,-1.2 139,-0.0 71,-0.1 -0.655 50.3 168.9 174.6 132.7 -6.7 13.8 -14.5 74 81 A E - 0 0 59 -6,-0.3 71,-3.5 -2,-0.2 69,-0.1 -0.964 52.6 -69.0-140.7 157.8 -9.1 14.0 -11.5 75 82 A P B +A 144 0A 42 0, 0.0 69,-0.3 0, 0.0 2,-0.1 -0.064 47.9 165.2 -65.6 140.0 -9.9 17.1 -9.3 76 83 A V - 0 0 25 67,-3.3 2,-0.2 60,-0.1 68,-0.1 0.012 35.2-108.3-111.5-134.1 -7.5 18.8 -6.8 77 84 A D - 0 0 94 65,-0.2 65,-0.3 -2,-0.1 2,-0.2 -0.801 16.2-131.4-172.7 110.9 -7.9 22.3 -5.2 78 85 A H - 0 0 15 63,-1.7 47,-0.0 -2,-0.2 59,-0.0 -0.564 17.4-137.2 -73.5 138.8 -6.0 25.5 -5.9 79 86 A L S S+ 0 0 53 -2,-0.2 2,-0.3 154,-0.1 -1,-0.1 0.808 84.2 21.7 -69.2 -29.4 -4.7 27.2 -2.7 80 87 A E S S- 0 0 101 60,-0.1 153,-0.1 153,-0.1 -2,-0.0 -0.864 106.4 -69.7-133.4 161.3 -5.7 30.6 -3.9 81 88 A R - 0 0 47 -2,-0.3 -3,-0.1 1,-0.1 151,-0.1 0.641 47.1-159.0 -2.9 -78.1 -8.2 32.2 -6.5 82 89 A M + 0 0 15 1,-0.1 2,-0.1 2,-0.1 -1,-0.1 0.969 28.6 173.1 70.0 67.5 -6.4 31.2 -9.8 83 90 A L - 0 0 43 1,-0.2 226,-0.2 223,-0.1 -1,-0.1 -0.446 28.4-109.0-109.3 171.5 -8.0 33.8 -12.1 84 91 A S - 0 0 16 224,-2.0 2,-0.4 -2,-0.1 -1,-0.2 0.122 32.5-104.0 -82.9-163.8 -7.8 35.2 -15.7 85 92 A L - 0 0 41 224,-0.2 229,-0.1 230,-0.0 2,-0.1 -0.984 22.5-119.8-131.2 140.0 -6.5 38.4 -17.2 86 93 A D E -b 314 0B 92 227,-0.7 229,-3.0 224,-0.4 2,-0.5 -0.428 37.2-120.7 -72.4 154.6 -8.3 41.5 -18.5 87 94 A N E -b 315 0B 35 227,-0.2 2,-0.5 -2,-0.1 229,-0.2 -0.890 10.6-148.6-114.4 122.4 -7.5 42.3 -22.1 88 95 A A E -b 316 0B 5 227,-2.6 229,-1.3 -2,-0.5 4,-0.1 -0.738 41.7-101.3 -81.4 122.8 -6.0 45.4 -23.7 89 96 A F - 0 0 85 -2,-0.5 5,-0.1 227,-0.1 -1,-0.1 -0.088 36.8-110.0 -50.5 147.2 -7.5 46.0 -27.2 90 97 A T S S+ 0 0 47 -86,-0.3 2,-0.2 228,-0.1 -2,-0.1 0.415 104.7 19.3 -39.6 -55.7 -5.1 44.8 -29.9 91 98 A A S S+ 0 0 51 227,-0.1 2,-0.2 225,-0.1 226,-0.0 -0.520 116.1 13.1 82.8 79.2 -4.4 47.8 -30.9 92 99 A D S S+ 0 0 86 -2,-0.2 2,-0.5 -4,-0.1 3,-0.1 -0.567 80.8 21.2 114.9-149.5 -5.0 50.9 -28.8 93 100 A E + 0 0 144 -2,-0.2 2,-0.2 1,-0.2 -4,-0.1 -0.929 36.9 139.7-107.8 120.2 -5.8 52.3 -25.4 94 101 A L + 0 0 9 -2,-0.5 2,-4.0 -5,-0.1 -1,-0.2 0.751 46.6 100.8 49.5 178.6 -5.4 50.9 -22.7 95 102 A A S > S+ 0 0 36 1,-0.2 4,-4.5 -2,-0.2 5,-0.5 -0.109 71.3 82.7 57.3 -42.8 -4.2 53.8 -20.6 96 103 A A T 4 S+ 0 0 76 -2,-4.0 -1,-0.2 2,-0.2 4,-0.2 0.860 98.0 41.7 -46.5 -33.0 -7.8 53.6 -19.5 97 104 A W T >> S+ 0 0 25 2,-0.2 3,-1.1 3,-0.1 4,-0.8 0.950 114.7 46.4 -74.6 -58.6 -6.0 51.0 -17.4 98 105 A A T 34 S+ 0 0 11 1,-0.3 4,-0.3 2,-0.2 -2,-0.2 0.701 117.5 46.0 -60.9 -20.8 -3.0 53.1 -16.6 99 106 A G T 3< S+ 0 0 31 -4,-4.5 4,-0.4 2,-0.2 -1,-0.3 0.543 98.4 68.1 -95.9 -14.5 -5.4 55.9 -15.8 100 107 A R T <4 S+ 0 0 149 -3,-1.1 4,-0.5 -5,-0.5 3,-0.4 0.674 94.4 61.7 -70.1 -18.6 -7.5 53.6 -13.8 101 108 A I S X>S+ 0 0 2 -4,-0.8 4,-2.1 -6,-0.3 5,-0.9 0.799 81.3 76.2 -77.2 -35.7 -4.4 53.7 -11.6 102 109 A H T 45S+ 0 0 134 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.879 90.1 68.8 -24.7 -49.6 -5.0 57.4 -11.2 103 110 A A T 45S- 0 0 52 -4,-0.4 -2,-0.2 -3,-0.4 -1,-0.2 0.923 124.0 -20.1 -46.6 -73.4 -7.6 56.0 -8.8 104 111 A E T 45S+ 0 0 58 -4,-0.5 -1,-0.2 -3,-0.1 -2,-0.2 0.146 117.8 71.5-140.9 19.9 -5.7 54.4 -5.9 105 112 A V T <5S- 0 0 18 -4,-2.1 -3,-0.1 -5,-0.1 -2,-0.1 0.800 89.2-122.1-100.6 -40.2 -2.1 53.6 -6.7 106 113 A G < - 0 0 46 -5,-0.9 2,-1.1 -4,-0.1 -4,-0.1 0.824 37.9 -94.3 84.5 87.0 -0.5 57.0 -6.8 107 114 A D S S+ 0 0 99 -5,-0.1 -1,-0.1 1,-0.1 -5,-0.1 0.017 113.2 80.9 -33.3 71.5 1.0 57.4 -10.3 108 115 A A + 0 0 87 -2,-1.1 -1,-0.1 2,-0.0 157,-0.1 -0.329 58.5 116.6 174.3 73.4 4.5 56.2 -9.1 109 116 A A - 0 0 5 155,-0.3 187,-0.2 190,-0.0 156,-0.1 0.684 63.3-120.8-121.3 -82.6 3.9 52.5 -9.1 110 117 A H - 0 0 69 185,-0.1 185,-4.2 154,-0.0 2,-0.5 0.314 15.8-130.8 125.7 114.6 6.2 50.4 -11.5 111 118 A Y E -CD 263 294B 18 152,-2.1 2,-0.6 183,-0.3 152,-0.5 -0.723 7.6-148.7-101.1 127.7 5.1 48.2 -14.4 112 119 A L E - D 0 293B 0 181,-5.2 181,-2.7 -2,-0.5 2,-0.8 -0.803 12.2-155.7 -95.8 121.4 6.4 44.6 -15.0 113 120 A C E + D 0 292B 3 -2,-0.6 148,-1.2 179,-0.2 2,-0.4 -0.827 20.2 169.3-102.3 103.3 6.5 43.6 -18.7 114 121 A E E - D 0 291B 4 177,-3.0 177,-3.8 -2,-0.8 2,-0.2 -0.907 36.9-111.7-118.0 146.2 6.3 39.9 -19.4 115 122 A L E - D 0 290B 10 -2,-0.4 2,-0.7 175,-0.2 175,-0.2 -0.524 27.8-142.2 -70.2 132.4 5.8 37.9 -22.6 116 123 A K E - D 0 289B 58 173,-3.0 173,-1.1 -2,-0.2 172,-0.9 -0.880 26.7-164.9-105.1 107.4 2.4 36.1 -22.7 117 124 A I E - D 0 287B 14 -2,-0.7 2,-0.4 170,-0.2 170,-0.2 -0.161 21.5-108.0 -97.4 179.5 2.8 32.8 -24.3 118 125 A D + 0 0 24 168,-1.5 2,-0.3 59,-0.1 -1,-0.1 -0.870 67.5 82.6-108.2 135.4 0.7 30.0 -25.7 119 126 A G S S- 0 0 12 -2,-0.4 2,-0.5 60,-0.1 60,-0.2 -0.913 78.1 -50.0 154.6 179.1 0.4 26.8 -23.8 120 127 A V E -F 178 0C 14 58,-2.5 58,-3.1 -2,-0.3 56,-0.1 -0.750 52.2-118.3 -91.8 122.4 -1.4 25.1 -20.9 121 128 A A E -F 177 0C 17 -2,-0.5 2,-0.4 56,-0.2 16,-0.3 -0.237 34.4-174.3 -51.9 135.9 -1.8 26.8 -17.6 122 129 A L E -F 176 0C 1 54,-3.4 54,-3.2 14,-0.1 2,-0.4 -0.941 12.1-162.2-145.6 113.8 -0.1 24.8 -14.8 123 130 A S E -FG 175 135C 0 12,-2.3 12,-1.5 -2,-0.4 2,-0.4 -0.828 14.4-158.7 -94.9 139.7 -0.2 25.6 -11.1 124 131 A L E -FG 174 134C 0 50,-3.3 50,-0.7 -2,-0.4 2,-0.5 -0.934 6.2-151.8-121.9 142.2 2.5 23.9 -9.0 125 132 A V E +F 173 0C 2 8,-2.6 7,-3.4 -2,-0.4 2,-0.6 -0.936 12.5 179.1-122.9 116.6 2.5 23.2 -5.3 126 133 A Y E -FG 172 131C 0 46,-2.9 46,-1.8 -2,-0.5 2,-0.5 -0.874 6.0-170.7-115.6 97.4 5.8 23.0 -3.3 127 134 A R E > S-FG 171 130C 89 3,-1.7 3,-2.9 -2,-0.6 44,-0.3 -0.769 78.3 -20.0 -86.7 127.0 5.3 22.4 0.4 128 135 A E T 3 S- 0 0 163 42,-3.1 -1,-0.2 -2,-0.5 42,-0.1 0.742 128.2 -54.0 46.6 29.2 8.6 22.7 2.3 129 136 A G T 3 S+ 0 0 8 -3,-0.4 2,-0.7 40,-0.4 31,-0.3 0.324 116.0 112.0 92.1 -9.2 10.5 22.3 -0.9 130 137 A R E < S-G 127 0C 102 -3,-2.9 -3,-1.7 29,-0.2 2,-0.4 -0.902 70.6-128.8 -97.7 117.3 8.9 19.0 -1.9 131 138 A L E +G 126 0C 12 27,-1.9 -5,-0.3 -2,-0.7 3,-0.1 -0.538 36.2 169.7 -59.9 118.3 6.6 19.4 -4.9 132 139 A T E + 0 0 51 -7,-3.4 2,-0.3 -2,-0.4 -1,-0.2 0.856 55.0 8.0-100.5 -75.6 3.3 17.9 -3.8 133 140 A R E - 0 0 54 -8,-0.3 -8,-2.6 14,-0.0 2,-0.4 -0.832 50.1-176.0-112.3 155.3 0.5 18.6 -6.4 134 141 A A E +G 124 0C 1 -2,-0.3 12,-0.3 -10,-0.2 2,-0.3 -0.929 21.3 173.8-143.7 113.0 0.6 20.1 -9.8 135 142 A S E -G 123 0C 2 -12,-1.5 -12,-2.3 -2,-0.4 10,-0.2 -0.839 30.5-110.4-127.6 160.5 -2.7 20.6 -11.5 136 143 A T - 0 0 3 8,-1.8 -14,-0.1 -2,-0.3 -1,-0.1 0.037 49.8 -88.1 -71.8-171.4 -4.3 22.2 -14.6 137 144 A R > + 0 0 60 -16,-0.3 3,-1.0 1,-0.2 2,-0.4 0.920 56.9 170.8 -68.8 -46.1 -6.5 25.3 -14.4 138 145 A G T 3 S- 0 0 11 1,-0.2 5,-0.2 3,-0.1 -1,-0.2 -0.585 72.4 -34.5 70.0-124.2 -9.9 23.6 -13.8 139 146 A D T 3 S- 0 0 8 3,-1.7 2,-2.6 -2,-0.4 -1,-0.2 -0.293 89.7 -97.3-121.2 42.7 -12.4 26.2 -13.0 140 147 A G S < S+ 0 0 5 -3,-1.0 -60,-0.1 1,-0.2 -62,-0.1 -0.259 122.6 60.8 76.3 -53.9 -10.0 28.4 -11.1 141 148 A R S S+ 0 0 128 -2,-2.6 -63,-1.7 1,-0.2 2,-0.3 0.880 118.7 8.3 -73.2 -39.9 -11.1 27.0 -7.8 142 149 A T S S- 0 0 6 -65,-0.3 -3,-1.7 -5,-0.1 -1,-0.2 -0.996 71.1-174.7-150.0 140.0 -10.1 23.4 -8.4 143 150 A G - 0 0 0 -2,-0.3 -67,-3.3 -5,-0.2 2,-0.5 -0.575 35.4 -70.2-131.9-173.0 -8.2 21.6 -11.2 144 151 A E B -A 75 0A 16 -69,-0.3 2,-2.4 -2,-0.2 -8,-1.8 -0.760 45.1-123.6 -92.9 121.5 -7.0 18.3 -12.7 145 152 A D + 0 0 42 -71,-3.5 3,-0.4 -2,-0.5 -10,-0.2 -0.287 46.1 157.9 -66.5 74.2 -4.3 16.5 -10.6 146 153 A V > + 0 0 0 -2,-2.4 4,-1.6 -12,-0.3 5,-0.3 0.119 27.7 124.8 -84.9 27.5 -1.7 16.2 -13.3 147 154 A T H > + 0 0 15 1,-0.2 4,-2.5 2,-0.2 3,-0.3 0.884 69.3 48.6 -58.1 -47.8 1.1 15.8 -10.7 148 155 A L H > S+ 0 0 104 -3,-0.4 4,-0.8 1,-0.2 -1,-0.2 0.892 112.3 50.2 -59.2 -41.7 2.6 12.6 -11.9 149 156 A N H 4 S+ 0 0 0 -3,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.774 115.0 40.4 -71.0 -29.4 2.7 13.8 -15.5 150 157 A A H < S+ 0 0 9 -4,-1.6 6,-0.3 -3,-0.3 -1,-0.2 0.753 99.8 73.9 -90.1 -29.0 4.5 17.1 -14.8 151 158 A R H < S+ 0 0 48 -4,-2.5 2,-2.4 -5,-0.3 -2,-0.2 0.818 71.7 91.2 -46.5 -36.0 6.8 15.4 -12.3 152 159 A T S < S- 0 0 34 -4,-0.8 3,-0.2 1,-0.1 -1,-0.2 -0.459 81.6-175.2 -64.2 81.0 8.4 14.0 -15.4 153 160 A I + 0 0 53 -2,-2.4 2,-0.3 1,-0.2 -1,-0.1 0.628 51.2 147.1 -23.8-117.3 10.6 17.1 -15.2 154 161 A A S S+ 0 0 84 1,-0.1 -1,-0.2 -3,-0.1 70,-0.1 -0.840 97.6 16.7 -89.4 -13.9 12.8 18.4 -16.9 155 162 A D S S+ 0 0 53 -2,-0.3 -1,-0.1 -3,-0.2 -2,-0.1 0.568 116.2 73.2 -87.4 -10.1 12.1 22.1 -16.1 156 163 A V S S- 0 0 5 -6,-0.3 -1,-0.2 98,-0.1 -3,-0.1 -0.752 78.3-145.9-114.5 91.1 10.0 21.4 -13.0 157 164 A P - 0 0 29 0, 0.0 -26,-0.1 0, 0.0 -2,-0.1 0.052 16.0-141.2 -61.9 156.9 12.1 20.2 -10.1 158 165 A E S S+ 0 0 71 -28,-0.1 -27,-1.9 -7,-0.0 2,-0.2 0.678 91.8 26.8 -79.1 -19.9 11.1 17.7 -7.3 159 166 A R S S- 0 0 134 -29,-0.2 2,-0.5 94,-0.1 -29,-0.2 -0.804 80.0-118.1-137.7 167.5 12.9 19.9 -4.8 160 167 A L - 0 0 7 -31,-0.3 8,-0.2 -2,-0.2 93,-0.2 -0.909 31.1-124.4-121.0 106.5 13.9 23.5 -4.3 161 168 A T - 0 0 91 91,-1.0 2,-0.1 -2,-0.5 -32,-0.0 -0.227 42.6-136.6 -53.3 118.1 17.7 24.2 -4.1 162 169 A P + 0 0 110 0, 0.0 -1,-0.1 0, 0.0 90,-0.0 -0.374 37.4 21.7 -92.3 151.8 18.2 26.1 -0.8 163 170 A G + 0 0 47 3,-0.5 -2,-0.0 -2,-0.1 0, 0.0 0.871 55.2 91.9 84.9 122.4 20.0 28.9 1.0 164 171 A D S S- 0 0 164 0, 0.0 -1,-0.0 0, 0.0 87,-0.0 0.433 115.9 -31.5 131.5 27.8 21.7 32.3 0.5 165 172 A D S S+ 0 0 126 86,-0.0 83,-0.1 83,-0.0 86,-0.0 0.099 125.2 79.2 136.3 1.8 18.9 34.7 1.0 166 173 A Y - 0 0 70 81,-0.1 -3,-0.5 82,-0.1 2,-0.5 -0.660 59.8-170.4-126.7 79.8 15.9 32.7 -0.3 167 174 A P - 0 0 95 0, 0.0 85,-0.0 0, 0.0 81,-0.0 -0.571 39.3-100.8 -73.6 118.4 14.8 30.2 2.4 168 175 A V - 0 0 38 -2,-0.5 4,-0.0 -8,-0.2 69,-0.0 -0.085 41.2-115.1 -43.9 121.4 12.2 27.8 0.9 169 176 A P - 0 0 0 0, 0.0 -41,-0.5 0, 0.0 -40,-0.4 -0.281 18.5-118.3 -59.2 144.4 8.7 29.0 2.0 170 177 A E S S+ 0 0 105 65,-0.9 -42,-3.1 1,-0.3 2,-0.4 0.911 107.1 11.7 -50.0 -45.8 6.8 26.5 4.2 171 178 A V E S-FH 127 235C 0 64,-1.0 64,-1.5 -44,-0.3 2,-0.4 -0.998 74.5-179.0-131.9 132.0 4.3 26.4 1.3 172 179 A L E -FH 126 234C 0 -46,-1.8 -46,-2.9 -2,-0.4 2,-0.7 -0.961 5.2-172.8-129.9 118.2 4.9 27.9 -2.2 173 180 A E E +F 125 0C 4 60,-2.3 59,-2.8 -2,-0.4 -48,-0.2 -0.847 12.4 177.7-111.5 95.7 2.3 27.8 -5.0 174 181 A V E -FH 124 231C 0 -50,-0.7 -50,-3.3 -2,-0.7 2,-0.3 -0.465 12.1-154.4 -90.3 172.3 3.7 29.0 -8.3 175 182 A R E +F 123 0C 52 55,-1.3 54,-2.1 -52,-0.3 -52,-0.3 -0.994 23.3 147.7-156.7 127.6 1.7 29.1 -11.5 176 183 A G E -FH 122 228C 1 -54,-3.2 -54,-3.4 -2,-0.3 2,-0.5 -0.872 41.8 -84.7-160.0-173.3 3.0 29.0 -15.1 177 184 A E E -FH 121 227C 29 50,-1.7 50,-0.8 -2,-0.3 2,-0.4 -0.926 25.2-152.0-121.7 112.8 2.6 28.0 -18.7 178 185 A V E +FH 120 226C 9 -58,-3.1 -58,-2.5 -2,-0.5 2,-0.3 -0.728 31.7 159.7 -84.8 130.9 3.4 24.5 -20.1 179 186 A F E - H 0 225C 7 46,-1.9 46,-2.5 -2,-0.4 2,-0.4 -0.947 38.5-119.1-147.5 160.2 4.4 24.6 -23.8 180 187 A F - 0 0 5 -2,-0.3 2,-0.3 44,-0.2 5,-0.2 -0.853 38.1-109.8 -97.9 141.3 6.1 22.9 -26.7 181 188 A R > - 0 0 53 -2,-0.4 4,-0.7 3,-0.1 5,-0.2 -0.568 31.3-119.4 -71.5 132.8 9.1 24.5 -28.5 182 189 A L H >> S+ 0 0 34 102,-2.1 4,-1.0 -2,-0.3 3,-0.6 0.794 107.8 41.5 -43.1 -52.8 8.0 25.5 -32.1 183 190 A D H >> S+ 0 0 119 101,-0.3 4,-1.5 1,-0.2 3,-0.8 0.960 117.9 43.8 -62.5 -56.8 10.5 23.3 -33.9 184 191 A D H 34 S+ 0 0 34 1,-0.3 39,-0.2 2,-0.3 -1,-0.2 0.203 100.3 69.1 -87.2 16.1 10.3 20.1 -31.8 185 192 A F H XX S+ 0 0 0 -4,-0.7 4,-2.3 -3,-0.6 3,-0.8 0.776 109.2 39.1 -74.5 -46.2 6.5 20.4 -31.7 186 193 A Q H S+ 0 0 21 -3,-0.8 4,-2.6 3,-0.1 -2,-0.2 0.687 104.1 69.6-107.2 -44.1 7.2 15.0 -32.8 189 196 A N H < S+ 0 0 0 -4,-2.3 4,-0.2 1,-0.3 -2,-0.2 0.705 116.9 27.0 -46.7 -27.7 4.2 15.8 -35.0 190 197 A A T < S+ 0 0 15 -4,-1.2 -1,-0.3 2,-0.1 4,-0.2 0.752 107.1 72.8-103.3 -40.9 5.8 13.6 -37.6 191 198 A S T 4 S+ 0 0 97 -5,-0.3 -2,-0.2 2,-0.1 3,-0.1 0.845 120.1 19.7 -45.7 -41.7 7.9 11.3 -35.3 192 199 A L < + 0 0 29 -4,-2.6 2,-1.3 1,-0.1 3,-0.2 0.761 69.4 150.4 -82.0 -90.6 4.5 9.8 -34.5 193 200 A V S S- 0 0 39 1,-0.2 -1,-0.1 5,-0.2 -2,-0.1 -0.653 88.5 -8.5 80.8 -67.3 1.9 10.6 -37.2 194 201 A E S S+ 0 0 105 -2,-1.3 3,-0.4 -4,-0.2 -1,-0.2 0.313 78.5 120.3-120.1-115.0 0.2 7.3 -36.4 195 202 A E S S- 0 0 146 1,-0.3 2,-0.6 -3,-0.2 3,-0.1 0.848 113.3 -32.8 43.9 47.9 1.4 4.5 -34.1 196 203 A G S S+ 0 0 79 1,-0.4 -1,-0.3 -4,-0.0 -4,-0.0 -0.846 135.5 38.5 115.8 -91.1 -1.7 5.0 -31.9 197 204 A K S S- 0 0 90 -2,-0.6 -1,-0.4 -3,-0.4 3,-0.0 0.378 78.3-122.6 -70.3-153.6 -2.6 8.7 -32.0 198 205 A A - 0 0 24 -3,-0.1 2,-0.3 -6,-0.0 -5,-0.2 -0.758 41.1 -60.1-143.7-176.2 -2.5 11.1 -34.9 199 206 A P - 0 0 8 0, 0.0 196,-0.5 0, 0.0 2,-0.1 -0.617 50.6-129.2 -77.6 140.1 -0.8 14.4 -35.7 200 207 A F - 0 0 16 -2,-0.3 194,-0.0 1,-0.2 6,-0.0 -0.380 8.1-139.1 -72.2 158.7 -1.6 17.4 -33.5 201 208 A A S S+ 0 0 1 1,-0.2 -1,-0.2 191,-0.2 -12,-0.1 0.747 75.7 5.9 -78.6-103.6 -2.7 20.8 -34.9 202 209 A N S > S- 0 0 0 1,-0.1 4,-2.1 190,-0.1 -1,-0.2 -0.248 70.4-118.0 -75.4 164.5 -1.1 23.6 -32.9 203 210 A P H > S+ 0 0 13 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.761 116.0 68.4 -70.3 -24.1 1.6 23.3 -30.2 204 211 A R H > S+ 0 0 50 1,-0.2 4,-0.8 2,-0.2 -85,-0.0 0.891 110.8 32.1 -56.5 -42.0 -1.1 24.9 -28.0 205 212 A N H > S+ 0 0 37 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.764 114.8 60.2 -85.4 -29.4 -3.0 21.7 -28.4 206 213 A S H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.908 104.6 50.3 -62.0 -40.8 0.1 19.5 -28.6 207 214 A A H X S+ 0 0 0 -4,-2.9 4,-1.5 2,-0.2 -1,-0.2 0.881 109.5 51.3 -66.6 -39.1 1.1 20.7 -25.2 208 215 A A H X S+ 0 0 15 -4,-0.8 4,-2.1 -5,-0.2 3,-0.3 0.971 110.0 48.4 -60.1 -55.4 -2.3 19.8 -23.8 209 216 A G H < S+ 0 0 13 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.861 111.9 47.5 -53.6 -43.2 -2.4 16.3 -25.1 210 217 A S H >< S+ 0 0 0 -4,-1.9 3,-0.8 1,-0.2 -1,-0.2 0.834 110.1 53.0 -74.0 -30.1 1.1 15.3 -23.9 211 218 A L H 3< S+ 0 0 1 -4,-1.5 2,-0.5 -3,-0.3 -2,-0.2 0.952 105.5 54.8 -65.0 -49.0 0.4 16.7 -20.4 212 219 A R T 3< S+ 0 0 64 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.1 0.007 77.7 142.4 -80.7 29.0 -2.8 14.6 -20.0 213 220 A Q < - 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