==== 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 LIGASE 29-JUN-06 2HIV . COMPND 2 MOLECULE: THERMOSTABLE DNA LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR J.M.PASCAL,T.ELLENBERGER . 577 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26857.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 425 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 97 16.8 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 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 . 43 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 178 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.4 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 0 0 0 3 1 0 4 3 5 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 4 3 0 2 4 2 2 0 1 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 . 1 0 0 1 0 1 0 0 1 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 60 0, 0.0 108,-2.5 0, 0.0 109,-0.5 0.000 360.0 360.0 360.0 127.8 42.0 18.6 52.6 2 2 A E B > -A 108 0A 95 106,-0.3 3,-1.3 107,-0.1 4,-0.4 -0.631 360.0-134.5 -92.3 142.4 39.4 18.1 55.3 3 3 A F T >> S+ 0 0 0 104,-2.7 4,-2.0 -2,-0.3 3,-1.0 0.716 97.3 78.6 -63.4 -22.3 35.6 18.0 54.8 4 4 A K H 3> S+ 0 0 56 103,-0.5 4,-2.7 1,-0.3 -1,-0.3 0.842 85.5 60.6 -54.6 -36.3 35.2 20.3 57.9 5 5 A V H <> S+ 0 0 64 -3,-1.3 4,-1.8 1,-0.2 -1,-0.3 0.872 107.5 45.1 -62.0 -33.3 36.2 23.3 55.8 6 6 A I H <> S+ 0 0 0 -3,-1.0 4,-2.8 -4,-0.4 -2,-0.2 0.897 111.5 50.1 -79.7 -42.9 33.2 22.6 53.5 7 7 A A H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.901 110.8 51.3 -56.0 -43.3 30.7 22.1 56.4 8 8 A E H X S+ 0 0 64 -4,-2.7 4,-2.8 -5,-0.2 -2,-0.2 0.925 109.3 51.0 -63.1 -42.2 32.0 25.3 57.8 9 9 A Y H X S+ 0 0 3 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.926 111.4 47.4 -56.0 -50.7 31.4 26.9 54.4 10 10 A F H X S+ 0 0 5 -4,-2.8 4,-1.3 2,-0.2 -2,-0.2 0.896 113.0 48.3 -60.4 -43.6 27.8 25.6 54.3 11 11 A D H >X S+ 0 0 29 -4,-2.8 4,-0.7 2,-0.2 3,-0.5 0.956 113.9 45.7 -62.5 -48.8 27.1 26.7 57.9 12 12 A K H >X S+ 0 0 95 -4,-2.8 4,-1.5 1,-0.2 3,-1.5 0.914 105.4 62.6 -59.8 -43.6 28.5 30.2 57.2 13 13 A L H 3< S+ 0 0 25 -4,-2.8 -1,-0.2 1,-0.3 3,-0.2 0.847 99.6 54.9 -48.3 -40.2 26.6 30.4 53.9 14 14 A E H << S+ 0 0 102 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.724 110.6 44.8 -65.9 -27.3 23.3 30.1 55.9 15 15 A K H << S+ 0 0 142 -3,-1.5 2,-0.2 -4,-0.7 -1,-0.2 0.672 96.9 88.6 -96.4 -19.3 24.1 33.1 58.0 16 16 A I < + 0 0 39 -4,-1.5 3,-0.0 -3,-0.2 0, 0.0 -0.573 37.0 171.2 -87.5 146.7 25.4 35.5 55.3 17 17 A S + 0 0 132 -2,-0.2 2,-0.5 0, 0.0 -1,-0.1 0.283 52.0 100.4-123.2 -3.1 23.3 37.9 53.2 18 18 A S > - 0 0 38 1,-0.1 4,-1.3 2,-0.0 5,-0.1 -0.825 57.6-155.0-101.6 127.0 26.0 39.8 51.5 19 19 A R H > S+ 0 0 126 -2,-0.5 4,-1.8 2,-0.2 -1,-0.1 0.780 100.7 53.9 -63.7 -32.8 27.0 39.0 47.9 20 20 A L H > S+ 0 0 137 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.953 107.9 47.7 -65.1 -55.2 30.4 40.4 48.7 21 21 A Q H > S+ 0 0 108 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.700 109.3 55.6 -58.5 -25.8 30.9 38.1 51.7 22 22 A L H X S+ 0 0 18 -4,-1.3 4,-2.8 2,-0.2 -1,-0.2 0.920 107.6 47.1 -72.6 -51.1 29.8 35.1 49.5 23 23 A T H X S+ 0 0 22 -4,-1.8 4,-3.0 2,-0.2 5,-0.2 0.940 115.0 48.0 -53.1 -46.4 32.5 35.8 46.9 24 24 A A H X S+ 0 0 55 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.904 111.7 49.6 -63.1 -47.8 35.0 36.2 49.8 25 25 A L H X S+ 0 0 28 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.904 116.5 41.0 -53.3 -51.7 33.8 32.9 51.4 26 26 A L H X S+ 0 0 0 -4,-2.8 4,-3.2 2,-0.2 5,-0.2 0.915 113.9 51.4 -68.5 -43.6 34.0 31.0 48.2 27 27 A A H X S+ 0 0 8 -4,-3.0 4,-2.3 -5,-0.2 5,-0.2 0.923 113.1 47.3 -60.7 -43.8 37.3 32.5 47.0 28 28 A D H X S+ 0 0 73 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.930 112.8 48.2 -60.9 -49.1 38.8 31.7 50.4 29 29 A L H < S+ 0 0 4 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.914 114.6 45.8 -60.7 -46.2 37.4 28.2 50.3 30 30 A L H >< S+ 0 0 2 -4,-3.2 3,-0.7 1,-0.2 -1,-0.2 0.865 114.4 46.8 -64.5 -37.3 38.7 27.6 46.7 31 31 A S H 3< S+ 0 0 63 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.775 113.0 48.0 -82.9 -23.6 42.2 29.0 47.3 32 32 A K T 3< S+ 0 0 144 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.265 96.5 109.9 -94.2 8.4 42.7 27.1 50.6 33 33 A S S < S- 0 0 16 -3,-0.7 2,-0.9 -5,-0.1 5,-0.1 -0.467 87.3 -95.5 -80.0 153.6 41.5 24.0 48.7 34 34 A D > - 0 0 50 1,-0.2 3,-1.8 -2,-0.1 7,-0.2 -0.634 33.8-148.9 -63.5 105.9 43.7 21.1 47.8 35 35 A K G > S+ 0 0 144 -2,-0.9 3,-0.8 1,-0.3 4,-0.2 0.730 92.1 67.7 -49.4 -28.6 44.5 22.1 44.2 36 36 A T G 3 S+ 0 0 96 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.805 111.3 30.7 -66.6 -30.1 44.7 18.4 43.3 37 37 A I G X> S+ 0 0 7 -3,-1.8 4,-1.9 1,-0.1 3,-1.8 -0.004 76.4 121.8-121.2 25.8 40.9 18.0 43.8 38 38 A I H <> + 0 0 0 -3,-0.8 4,-2.5 1,-0.3 -1,-0.1 0.875 69.7 66.7 -53.6 -36.0 39.5 21.4 42.9 39 39 A D H 34 S+ 0 0 55 1,-0.2 -1,-0.3 -4,-0.2 157,-0.2 0.674 106.9 39.9 -67.0 -15.5 37.4 19.7 40.2 40 40 A K H X> S+ 0 0 47 -3,-1.8 4,-2.6 2,-0.1 3,-1.2 0.818 109.9 57.5 -94.9 -42.7 35.4 18.0 43.0 41 41 A V H 3X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 5,-0.2 0.918 98.4 62.4 -52.2 -44.5 35.2 21.0 45.4 42 42 A V H 3< S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.1 0.728 112.6 35.0 -59.5 -25.2 33.6 23.1 42.7 43 43 A Y H X4>S+ 0 0 4 -3,-1.2 5,-2.8 6,-0.2 3,-1.3 0.816 112.0 59.3 -94.6 -40.6 30.5 20.8 42.6 44 44 A I H ><5S+ 0 0 0 -4,-2.6 3,-2.5 1,-0.3 -2,-0.2 0.926 101.5 55.9 -51.9 -45.4 30.5 19.9 46.2 45 45 A I T 3<5S+ 0 0 0 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.1 0.664 107.8 48.1 -67.1 -17.1 30.1 23.6 47.2 46 46 A Q T < 5S- 0 0 21 -3,-1.3 -1,-0.3 -5,-0.2 114,-0.2 0.376 127.3-102.1 -93.0 -3.2 27.0 23.8 45.0 47 47 A G T < 5S+ 0 0 21 -3,-2.5 2,-0.3 -4,-0.4 -3,-0.2 0.735 87.7 106.8 87.1 26.2 25.6 20.6 46.6 48 48 A K < - 0 0 65 -5,-2.8 -1,-0.3 -8,-0.1 -2,-0.2 -0.818 61.1-148.0-132.2 167.6 26.6 18.3 43.7 49 49 A L S S- 0 0 7 1,-0.3 -5,-0.2 -2,-0.3 -6,-0.2 0.681 81.2 -5.9-105.6 -24.6 29.1 15.7 42.9 50 50 A W S S- 0 0 28 -7,-0.2 -1,-0.3 -8,-0.1 -10,-0.0 -0.965 87.4 -70.0-163.5 164.6 29.5 16.4 39.1 51 51 A P > - 0 0 11 0, 0.0 3,-1.5 0, 0.0 5,-0.4 -0.370 41.2-121.2 -70.7 154.3 28.1 18.4 36.3 52 52 A D G > S+ 0 0 69 1,-0.3 3,-2.1 2,-0.2 220,-0.7 0.818 104.4 70.7 -57.5 -34.7 24.5 17.6 35.0 53 53 A F G 3 S+ 0 0 10 1,-0.3 -1,-0.3 140,-0.2 218,-0.1 0.662 81.9 72.5 -66.0 -15.4 25.7 17.0 31.5 54 54 A L G < S- 0 0 59 -3,-1.5 -1,-0.3 1,-0.1 -2,-0.2 0.767 95.6-137.7 -69.6 -23.7 27.4 13.7 32.6 55 55 A G < + 0 0 46 -3,-2.1 -2,-0.1 -4,-0.3 -3,-0.1 0.675 45.4 158.2 78.1 19.5 23.9 12.1 33.0 56 56 A Y - 0 0 117 -5,-0.4 -1,-0.2 1,-0.1 216,-0.1 -0.382 51.8 -86.0 -77.9 154.8 25.0 10.4 36.2 57 57 A P - 0 0 61 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.284 47.9-113.2 -51.7 137.7 22.4 9.3 38.8 58 58 A E - 0 0 183 1,-0.1 2,-0.4 -3,-0.1 -10,-0.0 -0.503 35.0-103.1 -72.0 148.9 21.5 12.1 41.2 59 59 A L + 0 0 31 -2,-0.2 2,-0.3 94,-0.1 61,-0.1 -0.602 66.2 124.7 -74.1 126.9 22.6 11.5 44.8 60 60 A G - 0 0 23 -2,-0.4 2,-0.3 59,-0.2 95,-0.2 -0.951 34.4-167.4-173.9 162.0 19.7 10.4 46.9 61 61 A I - 0 0 27 -2,-0.3 5,-0.1 93,-0.2 59,-0.0 -0.979 42.8 -87.7-150.0 148.7 18.3 7.8 49.3 62 62 A G > - 0 0 37 -2,-0.3 4,-2.1 1,-0.1 3,-0.2 -0.295 39.2-122.4 -50.1 142.5 14.8 7.1 50.7 63 63 A E H > S+ 0 0 78 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.849 113.2 55.8 -59.3 -39.0 14.2 9.2 53.9 64 64 A K H > S+ 0 0 158 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.894 109.2 48.8 -60.6 -37.1 13.5 6.0 56.0 65 65 A F H > S+ 0 0 80 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.871 107.8 52.5 -72.0 -38.6 16.9 4.8 54.8 66 66 A L H X S+ 0 0 2 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.933 109.0 51.3 -59.3 -43.7 18.6 8.1 55.8 67 67 A I H X S+ 0 0 1 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.891 108.7 51.0 -61.0 -39.8 17.0 7.7 59.2 68 68 A K H X S+ 0 0 78 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.960 110.3 49.7 -60.3 -48.8 18.4 4.2 59.4 69 69 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.906 113.5 44.4 -56.3 -47.9 21.9 5.5 58.5 70 70 A I H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 6,-0.3 0.905 112.1 53.9 -62.0 -43.9 21.7 8.3 61.1 71 71 A S H X>S+ 0 0 13 -4,-2.6 5,-1.5 -5,-0.2 4,-0.6 0.921 112.1 44.0 -56.6 -48.4 20.4 5.8 63.6 72 72 A I H ><5S+ 0 0 77 -4,-2.8 3,-0.7 1,-0.2 -2,-0.2 0.917 115.0 49.3 -59.5 -48.0 23.4 3.5 62.9 73 73 A A H 3<5S+ 0 0 7 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.770 119.3 35.5 -66.4 -29.9 25.9 6.4 63.0 74 74 A T H 3<5S- 0 0 3 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.368 102.9-125.1-107.9 2.5 24.7 7.8 66.3 75 75 A N T <<5 + 0 0 147 -3,-0.7 2,-0.4 -4,-0.6 -3,-0.2 0.834 69.5 128.4 48.0 40.5 23.8 4.5 68.0 76 76 A T < - 0 0 15 -5,-1.5 -2,-0.2 -6,-0.3 -1,-0.2 -0.964 65.2-105.7-116.6 139.6 20.3 5.8 68.6 77 77 A D > - 0 0 110 -2,-0.4 4,-1.8 1,-0.1 3,-0.3 -0.190 28.9-110.4 -65.0 157.7 17.3 3.7 67.6 78 78 A E H > S+ 0 0 82 1,-0.2 4,-2.9 2,-0.2 5,-0.1 0.794 114.5 59.9 -61.0 -33.1 15.2 4.6 64.5 79 79 A N H > S+ 0 0 109 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.933 106.0 45.9 -59.7 -48.8 12.2 5.6 66.6 80 80 A S H > S+ 0 0 32 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.890 113.8 49.0 -64.7 -41.1 14.1 8.3 68.5 81 81 A V H X S+ 0 0 0 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.934 112.2 50.4 -60.7 -45.2 15.6 9.6 65.3 82 82 A E H X S+ 0 0 69 -4,-2.9 4,-1.2 1,-0.2 -2,-0.2 0.935 111.5 46.9 -56.8 -49.8 12.0 9.6 63.9 83 83 A N H X S+ 0 0 78 -4,-3.0 4,-1.2 1,-0.2 -1,-0.2 0.844 110.4 51.1 -66.8 -37.4 10.6 11.5 66.8 84 84 A L H X S+ 0 0 57 -4,-2.3 4,-1.8 1,-0.2 5,-0.3 0.809 104.4 61.6 -63.4 -31.4 13.4 14.1 66.9 85 85 A Y H X S+ 0 0 30 -4,-1.6 4,-3.0 -3,-0.2 -2,-0.2 0.876 99.3 53.5 -65.8 -39.5 12.7 14.6 63.1 86 86 A K H < S+ 0 0 150 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.957 114.8 39.2 -57.6 -54.1 9.1 15.7 63.7 87 87 A T H < S+ 0 0 115 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.753 125.5 37.1 -72.3 -28.1 10.0 18.5 66.2 88 88 A I H < S- 0 0 32 -4,-1.8 -2,-0.2 -5,-0.1 -3,-0.2 0.835 85.0-152.9 -94.6 -39.2 13.1 19.6 64.4 89 89 A G < + 0 0 46 -4,-3.0 2,-0.3 -5,-0.3 -4,-0.1 0.533 69.0 78.3 77.2 6.9 12.0 19.2 60.7 90 90 A D > - 0 0 23 -5,-0.1 4,-2.2 1,-0.1 3,-0.2 -0.909 61.9-156.4-147.7 119.0 15.5 18.6 59.3 91 91 A L H > S+ 0 0 0 -2,-0.3 4,-3.0 1,-0.2 5,-0.1 0.775 96.3 62.1 -65.6 -28.3 17.4 15.3 59.5 92 92 A G H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.940 107.6 41.7 -57.4 -50.1 20.6 17.2 59.2 93 93 A E H > S+ 0 0 23 2,-0.2 4,-2.9 -3,-0.2 -2,-0.2 0.900 113.7 53.0 -69.0 -39.5 20.0 19.1 62.4 94 94 A V H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.948 110.1 48.5 -53.7 -52.4 18.7 15.9 64.0 95 95 A A H X S+ 0 0 1 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.916 111.8 50.2 -53.4 -47.4 21.9 14.2 63.0 96 96 A R H X S+ 0 0 75 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.920 112.2 46.2 -56.4 -50.5 23.9 17.2 64.4 97 97 A R H X S+ 0 0 126 -4,-2.9 4,-0.5 1,-0.2 -2,-0.2 0.926 114.1 47.1 -62.4 -47.7 22.1 17.1 67.7 98 98 A L H < S+ 0 0 10 -4,-2.9 4,-0.3 1,-0.2 -1,-0.2 0.768 114.3 49.2 -66.9 -27.6 22.4 13.3 68.1 99 99 A K H >< S+ 0 0 20 -4,-1.9 3,-1.1 -5,-0.3 -2,-0.2 0.888 110.8 47.9 -73.9 -42.1 26.1 13.6 67.2 100 100 A S H 3< S+ 0 0 72 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.452 100.2 68.4 -81.9 -0.6 26.8 16.4 69.6 101 101 A K T 3< 0 0 124 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.651 360.0 360.0 -85.6 -18.6 25.1 14.4 72.3 102 102 A Q < 0 0 136 -3,-1.1 -1,-0.2 -4,-0.3 -4,-0.0 -0.935 360.0 360.0-126.6 360.0 27.9 11.9 72.2 103 ! 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 0.0 104 116 A K 0 0 161 0, 0.0 2,-0.4 0, 0.0 37,-0.0 0.000 360.0 360.0 360.0 -19.0 40.3 10.3 65.6 105 117 A E - 0 0 148 1,-0.1 2,-0.1 3,-0.0 3,-0.1 -0.566 360.0-132.0 -73.1 123.4 41.1 11.0 61.9 106 118 A S - 0 0 38 -2,-0.4 36,-0.1 1,-0.1 -1,-0.1 -0.405 31.2 -83.9 -78.5 153.1 38.7 13.6 60.5 107 119 A L - 0 0 1 34,-0.4 -104,-2.7 31,-0.1 -103,-0.5 -0.257 40.7-145.2 -55.0 131.9 36.8 13.2 57.2 108 120 A T B > -A 2 0A 45 -106,-0.3 4,-2.5 -105,-0.1 -106,-0.3 -0.696 20.5-123.8 -93.9 153.0 38.6 14.2 54.0 109 121 A V H > S+ 0 0 0 -108,-2.5 4,-3.0 -2,-0.3 5,-0.2 0.885 114.0 60.0 -58.8 -37.8 36.9 15.8 51.1 110 122 A D H > S+ 0 0 67 -109,-0.5 4,-2.7 2,-0.2 -1,-0.2 0.905 107.5 41.8 -56.1 -48.3 38.3 12.9 49.1 111 123 A E H > S+ 0 0 43 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.939 114.3 51.6 -70.0 -43.3 36.6 10.2 51.2 112 124 A V H X S+ 0 0 2 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.928 114.1 45.6 -52.6 -47.3 33.3 12.2 51.3 113 125 A Y H X S+ 0 0 44 -4,-3.0 4,-2.4 -5,-0.2 -2,-0.2 0.943 116.1 43.1 -64.9 -50.9 33.5 12.5 47.6 114 126 A S H X S+ 0 0 58 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.891 116.8 48.0 -64.8 -38.8 34.3 8.9 46.9 115 127 A T H X S+ 0 0 25 -4,-3.3 4,-2.5 -5,-0.2 -2,-0.2 0.967 113.5 45.9 -66.9 -49.6 31.8 7.6 49.4 116 128 A L H X S+ 0 0 0 -4,-2.9 4,-2.2 -5,-0.3 -2,-0.2 0.843 110.0 54.6 -63.2 -33.2 29.0 9.8 48.1 117 129 A S H X S+ 0 0 14 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.937 108.7 49.9 -60.2 -48.6 29.8 8.9 44.5 118 130 A K H X S+ 0 0 127 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.929 109.6 50.5 -53.3 -50.5 29.5 5.3 45.5 119 131 A V H < S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.895 114.0 45.7 -57.5 -40.4 26.1 6.1 47.2 120 132 A A H < S+ 0 0 5 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.879 119.3 39.1 -67.7 -41.5 24.9 7.8 44.0 121 133 A L H < S+ 0 0 78 -4,-2.6 -2,-0.2 -5,-0.1 2,-0.2 0.686 86.3 105.2 -90.1 -21.5 26.1 5.1 41.5 122 134 A T < + 0 0 31 -4,-2.4 2,-0.3 -5,-0.2 9,-0.0 -0.435 49.4 169.1 -65.8 127.7 25.3 1.9 43.4 123 135 A T + 0 0 121 -2,-0.2 3,-0.3 4,-0.0 2,-0.2 -0.869 23.6 33.1-137.7 169.3 22.2 0.2 41.9 124 136 A G S > S- 0 0 56 -2,-0.3 3,-0.9 1,-0.2 4,-0.4 -0.524 101.3 -18.9 88.1-152.0 20.2 -3.0 42.0 125 137 A E T 3 S+ 0 0 188 1,-0.3 3,-0.4 -2,-0.2 4,-0.3 0.871 132.5 38.2 -70.9 -48.8 19.4 -5.4 44.7 126 138 A G T 3> S+ 0 0 37 -3,-0.3 4,-1.8 1,-0.2 -1,-0.3 0.306 92.3 96.9 -85.9 13.3 22.0 -4.9 47.5 127 139 A S H <> S+ 0 0 20 -3,-0.9 4,-3.4 2,-0.2 5,-0.3 0.917 74.1 55.4 -74.3 -45.4 22.0 -1.1 46.9 128 140 A R H > S+ 0 0 115 -4,-0.4 4,-2.4 -3,-0.4 -1,-0.2 0.958 114.6 41.2 -46.5 -56.4 19.6 -0.0 49.7 129 141 A D H > S+ 0 0 66 -4,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.870 115.8 49.8 -67.7 -36.4 21.7 -1.7 52.3 130 142 A L H X S+ 0 0 55 -4,-1.8 4,-3.0 2,-0.2 5,-0.3 0.929 110.0 50.1 -64.7 -47.9 25.0 -0.6 50.8 131 143 A K H X S+ 0 0 41 -4,-3.4 4,-2.8 1,-0.2 5,-0.2 0.956 112.6 48.4 -54.6 -50.7 23.9 3.0 50.6 132 144 A I H X S+ 0 0 11 -4,-2.4 4,-2.7 -5,-0.3 -2,-0.2 0.932 113.6 45.4 -56.4 -51.1 22.8 2.9 54.2 133 145 A R H X S+ 0 0 153 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.919 113.8 49.9 -58.7 -47.9 26.1 1.3 55.4 134 146 A L H X S+ 0 0 32 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.921 114.1 44.3 -56.3 -48.1 28.2 3.8 53.4 135 147 A L H X S+ 0 0 5 -4,-2.8 4,-3.2 -5,-0.3 5,-0.2 0.899 112.0 52.3 -65.3 -43.2 26.3 6.8 54.7 136 148 A A H X S+ 0 0 4 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.917 108.8 50.1 -59.5 -46.5 26.3 5.5 58.3 137 149 A G H X S+ 0 0 40 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.903 113.6 47.5 -57.5 -42.8 30.1 5.0 58.1 138 150 A L H X S+ 0 0 8 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.939 112.3 47.1 -60.8 -51.1 30.4 8.6 56.8 139 151 A L H < S+ 0 0 7 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.821 110.7 54.4 -65.0 -30.6 28.1 10.1 59.4 140 152 A K H < S+ 0 0 152 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.923 111.2 43.4 -64.8 -48.4 30.0 8.2 62.1 141 153 A K H < S+ 0 0 91 -4,-2.0 -34,-0.4 -5,-0.2 -2,-0.2 0.805 100.5 94.7 -70.1 -31.1 33.4 9.6 60.9 142 154 A A S < S- 0 0 2 -4,-2.2 -36,-0.0 -5,-0.2 -3,-0.0 -0.239 76.1-128.1 -59.4 145.1 31.7 13.1 60.6 143 155 A D > - 0 0 50 -36,-0.1 4,-2.7 1,-0.1 5,-0.2 -0.425 45.2 -87.2 -78.7 168.1 31.8 15.6 63.4 144 156 A P H > S+ 0 0 36 0, 0.0 4,-1.8 0, 0.0 -45,-0.1 0.903 129.5 42.6 -45.4 -50.5 28.4 17.0 64.4 145 157 A L H > S+ 0 0 18 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.877 112.7 52.2 -68.8 -38.6 28.5 19.8 61.8 146 158 A E H > S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.935 108.7 52.5 -60.5 -43.2 29.9 17.6 59.0 147 159 A A H X S+ 0 0 1 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.889 106.0 53.8 -59.5 -43.6 27.0 15.1 59.7 148 160 A K H X S+ 0 0 15 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.931 114.6 40.0 -56.5 -47.7 24.4 17.9 59.4 149 161 A F H X S+ 0 0 3 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.780 111.5 56.1 -82.1 -23.1 25.7 18.9 56.0 150 162 A L H X S+ 0 0 3 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.898 108.9 48.8 -65.9 -42.5 26.3 15.4 54.8 151 163 A V H X S+ 0 0 1 -4,-2.5 4,-2.6 -5,-0.2 5,-0.2 0.985 113.4 46.1 -60.8 -55.0 22.7 14.6 55.6 152 164 A R H X>S+ 0 0 28 -4,-2.3 5,-3.8 1,-0.2 6,-0.6 0.879 111.3 53.3 -53.7 -42.3 21.5 17.7 53.7 153 165 A F H ><5S+ 0 0 6 -4,-2.3 3,-1.5 4,-0.2 -1,-0.2 0.964 112.3 42.3 -57.9 -56.9 23.8 17.0 50.8 154 166 A V H 3<5S+ 0 0 3 -4,-2.3 -93,-0.2 1,-0.3 -1,-0.2 0.855 115.5 50.8 -58.7 -40.4 22.5 13.4 50.3 155 167 A E H 3<5S- 0 0 37 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.554 111.7-121.7 -68.3 -13.0 18.9 14.6 50.8 156 168 A G T <<5S+ 0 0 49 -3,-1.5 -3,-0.2 -4,-0.5 -2,-0.1 0.874 80.1 121.1 61.4 39.1 19.4 17.4 48.2 157 169 A R < + 0 0 78 -5,-3.8 2,-0.7 -6,-0.2 -4,-0.2 0.024 22.9 115.8-125.6 23.1 18.5 19.9 51.0 158 170 A L - 0 0 23 -6,-0.6 2,-1.1 -5,-0.2 3,-0.2 -0.882 56.9-157.0 -77.1 120.5 21.7 21.9 51.1 159 171 A R + 0 0 187 -2,-0.7 -112,-0.1 1,-0.2 -2,-0.1 -0.657 35.5 150.5-102.1 71.6 19.9 25.0 49.9 160 172 A V - 0 0 18 -2,-1.1 -1,-0.2 -114,-0.2 3,-0.1 0.961 33.5-159.9 -74.3 -46.2 23.0 26.6 48.6 161 173 A G + 0 0 82 1,-0.3 2,-0.4 -3,-0.2 -2,-0.1 0.897 48.7 123.9 61.8 43.1 21.4 28.7 45.8 162 174 A I - 0 0 18 -116,-0.2 -1,-0.3 -117,-0.0 2,-0.1 -1.000 38.8-172.2-132.1 139.9 24.7 29.0 44.0 163 175 A G > - 0 0 30 -2,-0.4 4,-1.8 -3,-0.1 3,-0.3 -0.429 45.6 -77.7-116.8-169.6 25.4 28.0 40.5 164 176 A D H > S+ 0 0 27 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.913 126.6 56.3 -58.4 -43.8 28.3 27.6 38.0 165 177 A A H > S+ 0 0 74 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.860 105.7 50.8 -55.2 -41.1 28.4 31.4 37.5 166 178 A T H > S+ 0 0 23 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.888 113.7 44.5 -65.0 -42.3 28.9 32.0 41.2 167 179 A V H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.918 110.8 53.4 -71.4 -42.9 31.7 29.5 41.4 168 180 A L H X S+ 0 0 8 -4,-3.2 4,-2.2 1,-0.2 -2,-0.2 0.950 109.7 50.0 -56.9 -46.5 33.3 30.9 38.2 169 181 A D H X S+ 0 0 31 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.916 110.8 48.2 -54.1 -46.7 33.3 34.4 39.7 170 182 A A H X S+ 0 0 0 -4,-1.8 4,-3.3 1,-0.2 -1,-0.2 0.862 108.4 55.3 -68.1 -30.4 34.9 33.0 42.9 171 183 A M H X>S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-1.1 0.878 104.4 53.9 -67.2 -39.2 37.5 31.2 40.8 172 184 A A H X5S+ 0 0 0 -4,-2.2 6,-1.9 3,-0.2 4,-0.9 0.918 115.8 39.9 -54.1 -45.2 38.4 34.6 39.2 173 185 A I H <5S+ 0 0 55 -4,-1.7 4,-0.4 4,-0.2 -2,-0.2 0.938 120.1 42.9 -75.9 -45.7 38.9 36.0 42.6 174 186 A A H <5S+ 0 0 23 -4,-3.3 -2,-0.2 -5,-0.1 -3,-0.2 0.836 136.4 6.1 -69.8 -35.8 40.6 33.0 44.2 175 187 A F H <5S+ 0 0 54 -4,-2.6 32,-0.3 -5,-0.2 -3,-0.2 0.609 120.0 62.7-126.2 -24.1 43.0 32.1 41.4 176 188 A G S < S- 0 0 17 -6,-1.9 3,-2.1 1,-0.1 4,-0.2 -0.864 91.2 -36.7 145.9-169.7 40.7 39.4 40.9 179 191 A Q G > S+ 0 0 123 1,-0.3 3,-2.2 -2,-0.3 4,-0.3 0.783 118.0 72.6 -57.5 -28.3 37.6 40.4 39.0 180 192 A S G 3 S+ 0 0 114 1,-0.3 3,-0.5 2,-0.1 4,-0.4 0.772 89.5 62.3 -58.1 -24.8 39.6 41.2 35.8 181 193 A A G <> S+ 0 0 8 -3,-2.1 4,-2.1 1,-0.2 -1,-0.3 0.519 79.4 90.0 -74.8 -6.6 40.0 37.4 35.3 182 194 A S H <> S+ 0 0 5 -3,-2.2 4,-3.3 1,-0.2 5,-0.2 0.916 82.1 52.2 -61.5 -45.6 36.3 36.9 35.0 183 195 A E H > S+ 0 0 157 -3,-0.5 4,-2.4 -4,-0.3 -1,-0.2 0.894 110.9 44.9 -62.3 -46.3 36.2 37.4 31.2 184 196 A I H > S+ 0 0 24 -4,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.938 116.3 47.5 -64.4 -43.0 38.8 34.8 30.4 185 197 A I H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.918 113.0 48.0 -63.7 -45.9 37.3 32.3 32.8 186 198 A E H X S+ 0 0 88 -4,-3.3 4,-2.5 2,-0.2 -1,-0.2 0.901 110.3 52.0 -59.6 -43.4 33.7 32.9 31.4 187 199 A R H X S+ 0 0 96 -4,-2.4 4,-1.4 -5,-0.2 -2,-0.2 0.915 111.3 47.3 -61.1 -43.8 34.9 32.6 27.8 188 200 A A H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 3,-0.4 0.947 112.3 48.3 -63.8 -48.9 36.6 29.2 28.6 189 201 A Y H < S+ 0 0 20 -4,-2.3 33,-0.2 1,-0.2 -2,-0.2 0.897 107.5 56.9 -60.3 -39.0 33.6 27.9 30.5 190 202 A N H < S+ 0 0 39 -4,-2.5 32,-3.1 1,-0.2 3,-0.3 0.857 112.7 41.5 -60.9 -33.1 31.3 29.0 27.6 191 203 A L H < S+ 0 0 12 -4,-1.4 25,-0.4 -3,-0.4 2,-0.2 0.738 134.1 21.6 -80.2 -25.4 33.4 26.8 25.3 192 204 A R S < S- 0 0 33 -4,-1.8 2,-3.1 23,-0.2 -1,-0.3 -0.725 73.8-161.7-149.7 86.3 33.6 24.0 27.8 193 205 A A + 0 0 4 27,-2.8 2,-0.5 -3,-0.3 -140,-0.2 -0.297 53.8 114.3 -81.6 59.0 30.8 24.2 30.3 194 206 A D > - 0 0 25 -2,-3.1 4,-2.3 1,-0.1 3,-0.3 -0.899 48.6-165.0-132.7 99.1 32.5 22.0 32.8 195 207 A L H > S+ 0 0 0 -2,-0.5 4,-2.6 1,-0.2 5,-0.2 0.845 90.3 51.2 -50.4 -43.1 33.4 23.9 36.0 196 208 A G H > S+ 0 0 3 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.881 108.8 50.6 -66.6 -40.4 35.7 21.1 37.2 197 209 A N H > S+ 0 0 29 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.897 113.4 45.8 -62.3 -43.7 37.6 21.1 33.9 198 210 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.923 112.3 49.9 -67.8 -44.5 38.1 24.8 34.0 199 211 A A H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.952 109.4 53.1 -60.6 -50.5 39.1 24.9 37.7 200 212 A K H X S+ 0 0 76 -4,-2.5 4,-2.7 2,-0.2 5,-0.4 0.895 110.5 46.1 -44.5 -52.8 41.7 22.1 37.0 201 213 A I H X>S+ 0 0 12 -4,-1.9 4,-2.9 2,-0.2 5,-0.9 0.967 113.6 48.2 -61.6 -51.4 43.3 24.1 34.1 202 214 A I H X5S+ 0 0 6 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.913 117.2 42.9 -51.5 -49.4 43.4 27.4 36.1 203 215 A V H <5S+ 0 0 30 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.905 124.4 33.0 -67.5 -45.4 44.9 25.6 39.1 204 216 A E H <5S+ 0 0 112 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.924 137.2 16.5 -79.8 -49.1 47.4 23.4 37.3 205 217 A K H <5S- 0 0 142 -4,-2.9 4,-0.3 -5,-0.4 -3,-0.2 0.416 106.6-119.1-107.8 -3.2 48.5 25.6 34.2 206 218 A G ><< - 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