==== 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 2HIX . 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) . 27879.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 420 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 2.6 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 65 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 172 29.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.2 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 4 1 1 5 2 3 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 . 6 4 0 3 2 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 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 71 0, 0.0 108,-1.8 0, 0.0 109,-0.4 0.000 360.0 360.0 360.0 135.3 42.5 18.8 53.4 2 2 A E B > -A 108 0A 84 106,-0.3 3,-1.3 107,-0.1 4,-0.5 -0.745 360.0-135.3-103.8 139.5 39.8 18.3 56.0 3 3 A F T >> S+ 0 0 1 104,-1.6 4,-2.1 -2,-0.3 3,-0.8 0.744 94.5 84.6 -59.0 -24.1 36.1 18.3 55.6 4 4 A K H 3> S+ 0 0 70 103,-0.6 4,-2.0 1,-0.3 -1,-0.3 0.873 86.1 53.3 -44.4 -47.2 35.8 20.5 58.7 5 5 A V H <> S+ 0 0 69 -3,-1.3 4,-2.1 1,-0.2 -1,-0.3 0.865 106.9 50.6 -63.3 -38.5 36.5 23.6 56.7 6 6 A I H <> S+ 0 0 0 -3,-0.8 4,-2.2 -4,-0.5 -1,-0.2 0.891 108.6 52.4 -66.9 -38.9 33.6 22.9 54.2 7 7 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.881 108.5 51.2 -62.6 -38.3 31.3 22.3 57.2 8 8 A E H X S+ 0 0 66 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.896 107.8 53.9 -62.4 -43.8 32.3 25.8 58.5 9 9 A Y H X S+ 0 0 3 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.922 110.8 44.3 -55.7 -51.2 31.6 27.3 55.0 10 10 A F H X S+ 0 0 4 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.881 113.1 51.6 -64.6 -39.9 28.0 25.9 55.0 11 11 A D H < S+ 0 0 28 -4,-2.1 4,-0.3 1,-0.2 3,-0.2 0.867 113.0 43.3 -66.7 -37.5 27.3 26.9 58.5 12 12 A K H >X S+ 0 0 91 -4,-2.1 4,-2.0 1,-0.2 3,-1.6 0.847 104.4 63.9 -79.5 -31.6 28.5 30.5 58.1 13 13 A L H 3< S+ 0 0 30 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.762 98.8 57.6 -58.2 -27.0 26.7 30.8 54.7 14 14 A E T 3< S+ 0 0 106 -4,-0.9 -1,-0.3 -3,-0.2 -2,-0.2 0.743 111.5 41.7 -72.9 -25.2 23.5 30.3 56.8 15 15 A K T <4 S+ 0 0 146 -3,-1.6 -2,-0.2 -4,-0.3 -1,-0.1 0.807 97.1 82.0 -96.0 -33.4 24.4 33.4 58.9 16 16 A I < - 0 0 41 -4,-2.0 3,-0.0 1,-0.1 0, 0.0 -0.327 41.8-177.4 -84.7 158.0 25.7 36.0 56.5 17 17 A S + 0 0 125 -2,-0.1 2,-0.5 1,-0.0 -1,-0.1 0.513 52.2 98.7-124.7 -12.3 23.8 38.5 54.3 18 18 A S > - 0 0 43 1,-0.1 4,-2.2 4,-0.0 5,-0.2 -0.709 57.5-152.0 -92.8 125.1 26.4 40.4 52.4 19 19 A R H > S+ 0 0 121 -2,-0.5 4,-2.3 2,-0.2 -1,-0.1 0.855 103.8 56.7 -55.1 -35.7 27.4 39.5 48.8 20 20 A L H > S+ 0 0 139 1,-0.2 4,-2.3 2,-0.2 3,-0.2 0.987 106.8 45.4 -57.9 -62.3 30.7 41.0 49.7 21 21 A Q H > S+ 0 0 114 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.796 110.6 56.0 -51.0 -33.6 31.2 38.6 52.7 22 22 A L H X S+ 0 0 23 -4,-2.2 4,-2.3 2,-0.2 5,-0.3 0.962 107.1 47.9 -65.4 -50.3 30.1 35.7 50.4 23 23 A T H X S+ 0 0 22 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.933 113.9 47.6 -54.4 -49.3 32.8 36.5 47.9 24 24 A A H X S+ 0 0 61 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.891 110.7 52.4 -58.0 -42.9 35.4 36.7 50.6 25 25 A L H X S+ 0 0 37 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.896 115.1 39.0 -62.9 -46.5 34.2 33.4 52.2 26 26 A L H X S+ 0 0 1 -4,-2.3 4,-3.7 2,-0.2 5,-0.2 0.921 114.4 52.7 -69.6 -47.6 34.4 31.4 49.0 27 27 A A H X S+ 0 0 8 -4,-2.7 4,-2.4 -5,-0.3 -2,-0.2 0.868 113.3 45.8 -59.5 -38.2 37.6 32.9 47.7 28 28 A D H X S+ 0 0 73 -4,-2.1 4,-2.6 -5,-0.3 5,-0.2 0.991 113.3 48.0 -66.2 -60.1 39.2 32.1 51.0 29 29 A L H < S+ 0 0 4 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.882 114.7 47.8 -45.1 -49.6 37.8 28.6 51.1 30 30 A L H >< S+ 0 0 1 -4,-3.7 3,-1.8 1,-0.2 -1,-0.2 0.939 111.3 47.5 -60.7 -49.8 39.0 28.1 47.5 31 31 A S H 3< S+ 0 0 64 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.856 113.4 48.5 -66.8 -33.1 42.5 29.4 48.0 32 32 A K T 3< S+ 0 0 146 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.352 96.5 102.8 -84.4 4.8 43.0 27.4 51.2 33 33 A S S < S- 0 0 19 -3,-1.8 2,-0.6 -5,-0.2 5,-0.1 -0.158 86.4 -93.1 -75.2 178.3 41.7 24.3 49.2 34 34 A D > - 0 0 53 1,-0.1 3,-1.8 3,-0.1 4,-0.2 -0.891 22.0-144.9-103.5 119.0 44.0 21.6 47.9 35 35 A K G > S+ 0 0 51 -2,-0.6 3,-0.7 1,-0.3 4,-0.2 0.756 98.6 64.2 -48.9 -31.6 45.1 22.2 44.3 36 36 A T G 3 S+ 0 0 95 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.884 116.5 24.8 -60.4 -39.6 44.9 18.4 43.8 37 37 A I G X> S+ 0 0 5 -3,-1.8 4,-2.1 1,-0.1 3,-1.0 -0.077 76.3 120.2-126.4 30.7 41.1 18.3 44.4 38 38 A I H <> S+ 0 0 2 -3,-0.7 4,-2.7 1,-0.2 5,-0.2 0.881 73.8 65.6 -57.8 -38.1 39.7 21.7 43.5 39 39 A D H 34 S+ 0 0 54 -4,-0.2 -1,-0.2 1,-0.2 157,-0.2 0.670 107.4 39.7 -64.3 -20.4 37.6 20.0 40.9 40 40 A K H X> S+ 0 0 45 -3,-1.0 4,-1.9 2,-0.1 3,-1.7 0.851 111.5 57.3 -87.2 -46.5 35.7 18.2 43.6 41 41 A V H 3X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.3 5,-0.2 0.879 97.8 62.2 -48.3 -46.9 35.6 21.2 46.0 42 42 A V H 3< S+ 0 0 0 -4,-2.7 -1,-0.3 1,-0.2 -3,-0.1 0.701 110.7 37.8 -60.6 -22.1 33.9 23.4 43.4 43 43 A Y H X>>S+ 0 0 6 -3,-1.7 5,-2.9 -5,-0.2 4,-1.4 0.801 110.3 57.0 -98.2 -34.3 30.8 21.2 43.3 44 44 A I H ><5S+ 0 0 1 -4,-1.9 3,-0.5 1,-0.3 -2,-0.2 0.929 100.3 59.7 -59.3 -45.1 30.5 20.2 47.0 45 45 A I T 3<5S+ 0 0 0 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.1 0.574 110.4 44.6 -63.0 -7.5 30.3 23.9 48.0 46 46 A Q T <45S- 0 0 18 -3,-1.2 -1,-0.3 2,-0.2 115,-0.3 0.662 124.5-105.2 -99.3 -28.8 27.2 23.9 45.8 47 47 A G T <<5S+ 0 0 23 -4,-1.4 -3,-0.2 -3,-0.5 2,-0.2 0.592 87.4 101.3 106.4 20.0 25.8 20.6 47.2 48 48 A K < - 0 0 83 -5,-2.9 -1,-0.4 -8,-0.1 -2,-0.2 -0.705 60.2-149.4-122.1 175.3 26.7 18.5 44.2 49 49 A L S S+ 0 0 7 1,-0.5 -5,-0.2 -2,-0.2 -6,-0.1 0.494 82.0 3.0-119.5 -13.4 29.5 16.0 43.4 50 50 A W S S- 0 0 30 -7,-0.2 -1,-0.5 -8,-0.1 -10,-0.0 -0.964 88.4 -78.6-167.8 157.1 29.7 16.5 39.7 51 51 A P > - 0 0 12 0, 0.0 3,-1.3 0, 0.0 4,-0.4 -0.327 40.5-115.9 -69.5 155.0 28.2 18.7 36.9 52 52 A D G > S+ 0 0 74 1,-0.2 3,-1.3 2,-0.2 220,-0.7 0.794 105.6 70.6 -55.9 -35.0 24.7 17.9 35.5 53 53 A F G 3 S+ 0 0 10 1,-0.3 -1,-0.2 140,-0.2 218,-0.1 0.699 84.4 68.0 -66.7 -17.9 25.9 17.1 32.0 54 54 A L G < S- 0 0 65 -3,-1.3 -1,-0.3 1,-0.1 -2,-0.2 0.843 96.3-138.2 -70.3 -32.1 27.6 13.8 33.1 55 55 A G < + 0 0 48 -3,-1.3 -2,-0.1 -4,-0.4 -3,-0.1 0.589 46.8 149.7 87.3 12.7 24.2 12.3 33.8 56 56 A Y - 0 0 121 -5,-0.4 -1,-0.2 1,-0.1 65,-0.1 -0.285 54.8 -82.5 -70.4 162.9 25.2 10.5 37.0 57 57 A P - 0 0 57 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.327 41.1-107.4 -69.1 149.3 22.4 10.0 39.6 58 58 A E - 0 0 187 1,-0.1 2,-0.3 -3,-0.1 -10,-0.1 -0.594 42.8-104.7 -69.1 132.9 21.4 12.7 42.1 59 59 A L + 0 0 26 -2,-0.3 2,-0.3 94,-0.1 -1,-0.1 -0.468 62.3 150.1 -61.3 122.2 22.6 11.8 45.6 60 60 A G + 0 0 37 -2,-0.3 2,-0.3 59,-0.1 95,-0.1 -0.963 26.1 178.7-159.2 140.0 19.5 10.6 47.5 61 61 A I - 0 0 28 93,-0.5 5,-0.1 -2,-0.3 59,-0.0 -0.989 41.8 -95.5-137.2 145.6 18.4 8.3 50.2 62 62 A G > - 0 0 39 -2,-0.3 4,-1.3 1,-0.1 3,-0.4 -0.219 31.0-125.2 -50.6 144.1 15.0 7.6 51.7 63 63 A E H > S+ 0 0 81 1,-0.2 4,-1.7 2,-0.2 3,-0.4 0.897 112.1 55.6 -62.3 -41.7 14.2 9.6 54.8 64 64 A K H > S+ 0 0 170 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.790 107.8 51.4 -58.6 -29.2 13.4 6.4 56.8 65 65 A F H > S+ 0 0 86 -3,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.724 104.2 54.4 -85.6 -25.9 16.9 5.2 55.8 66 66 A L H X S+ 0 0 1 -4,-1.3 4,-3.0 -3,-0.4 5,-0.3 0.881 103.1 58.3 -67.5 -39.5 18.7 8.3 57.0 67 67 A I H X S+ 0 0 3 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.860 109.1 43.8 -61.2 -36.2 17.1 7.9 60.4 68 68 A K H X S+ 0 0 81 -4,-0.8 4,-2.8 2,-0.2 -1,-0.2 0.900 111.5 54.5 -73.0 -41.7 18.7 4.4 60.7 69 69 A A H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.894 113.2 41.8 -57.8 -44.5 22.0 5.7 59.4 70 70 A I H X S+ 0 0 2 -4,-3.0 4,-1.0 2,-0.2 -1,-0.2 0.928 112.6 54.8 -64.8 -46.7 22.0 8.4 62.1 71 71 A S H X>S+ 0 0 10 -4,-2.1 5,-1.9 -5,-0.3 4,-1.0 0.878 111.6 44.5 -57.0 -40.9 20.8 5.9 64.7 72 72 A I H ><5S+ 0 0 84 -4,-2.8 3,-0.7 1,-0.2 -1,-0.2 0.939 111.1 52.7 -66.3 -49.3 23.7 3.5 63.8 73 73 A A H 3<5S+ 0 0 8 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.599 121.7 31.8 -64.2 -11.8 26.3 6.3 63.8 74 74 A T H 3<5S- 0 0 6 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.468 105.9-116.6-123.7 -8.3 25.2 7.5 67.3 75 75 A N T <<5 + 0 0 155 -4,-1.0 2,-0.3 -3,-0.7 -3,-0.2 1.000 69.3 131.8 55.1 73.1 24.1 4.3 69.0 76 76 A T < - 0 0 18 -5,-1.9 -1,-0.2 -8,-0.1 -2,-0.2 -0.920 62.0-110.6-154.2 119.3 20.5 5.3 69.4 77 77 A D > - 0 0 102 -2,-0.3 4,-1.5 1,-0.1 3,-0.4 -0.217 29.5-118.9 -52.7 141.8 17.4 3.3 68.5 78 78 A E H > S+ 0 0 81 1,-0.2 4,-2.5 2,-0.2 -1,-0.1 0.725 108.8 70.1 -56.2 -26.3 15.4 4.7 65.5 79 79 A N H > S+ 0 0 114 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.978 105.3 34.9 -54.2 -62.3 12.4 5.2 67.8 80 80 A S H > S+ 0 0 42 -3,-0.4 4,-1.2 1,-0.2 -1,-0.2 0.744 115.4 58.2 -69.5 -23.7 14.0 8.0 69.8 81 81 A V H X S+ 0 0 0 -4,-1.5 4,-1.1 2,-0.2 -1,-0.2 0.884 102.8 55.0 -68.2 -39.6 15.7 9.3 66.7 82 82 A E H X S+ 0 0 72 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.906 104.3 55.1 -54.4 -47.4 12.3 9.6 65.0 83 83 A N H X S+ 0 0 68 -4,-1.3 4,-2.4 1,-0.2 5,-0.2 0.868 101.7 52.3 -61.3 -46.6 11.0 11.8 67.9 84 84 A L H X S+ 0 0 58 -4,-1.2 4,-3.0 1,-0.2 5,-0.3 0.860 109.2 54.1 -60.8 -33.8 13.6 14.6 67.8 85 85 A Y H X S+ 0 0 33 -4,-1.1 4,-0.7 2,-0.2 -1,-0.2 0.871 106.4 51.0 -66.0 -39.4 12.9 14.9 64.1 86 86 A K H < S+ 0 0 151 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.969 118.0 38.2 -59.4 -53.0 9.2 15.3 64.9 87 87 A T H < S+ 0 0 115 -4,-2.4 -2,-0.2 1,-0.1 -1,-0.2 0.889 126.9 32.7 -66.9 -44.0 9.9 18.1 67.4 88 88 A I H < S- 0 0 54 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.1 0.979 84.5-142.0 -84.3 -63.5 12.8 19.9 65.6 89 89 A G S < S+ 0 0 57 -4,-0.7 2,-0.2 -5,-0.3 -4,-0.1 0.685 71.1 80.8 103.5 23.7 12.2 19.6 61.8 90 90 A D > - 0 0 27 -6,-0.2 4,-2.2 1,-0.1 3,-0.2 -0.745 56.4-159.5-157.7 111.5 15.7 19.0 60.5 91 91 A L H > S+ 0 0 0 1,-0.2 4,-2.7 -2,-0.2 5,-0.1 0.802 95.1 58.3 -59.9 -34.9 17.5 15.6 60.5 92 92 A G H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.936 107.6 46.3 -57.5 -48.9 20.9 17.3 60.2 93 93 A E H > S+ 0 0 15 2,-0.2 4,-3.0 -3,-0.2 5,-0.2 0.951 111.8 51.0 -59.6 -50.9 20.3 19.3 63.4 94 94 A V H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.902 111.8 48.2 -49.8 -47.6 19.0 16.1 65.2 95 95 A A H X S+ 0 0 2 -4,-2.7 4,-1.0 1,-0.2 -1,-0.2 0.912 111.7 49.7 -62.0 -44.1 22.2 14.3 64.0 96 96 A R H X S+ 0 0 78 -4,-2.8 4,-1.9 1,-0.2 3,-0.5 0.898 110.4 49.9 -60.8 -44.3 24.3 17.3 65.2 97 97 A R H < S+ 0 0 125 -4,-3.0 4,-0.4 1,-0.2 -1,-0.2 0.799 108.2 53.1 -66.4 -31.1 22.6 17.3 68.7 98 98 A L H < S+ 0 0 13 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.702 110.5 47.6 -78.3 -21.6 23.1 13.6 69.2 99 99 A K H >< S+ 0 0 22 -4,-1.0 3,-2.4 -3,-0.5 -2,-0.2 0.901 102.3 58.8 -85.1 -45.5 26.8 13.8 68.5 100 100 A S T 3< S+ 0 0 72 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.585 95.3 67.2 -64.4 -10.2 27.8 16.7 70.7 101 101 A K T 3 0 0 131 -4,-0.4 -1,-0.3 0, 0.0 -2,-0.1 0.674 360.0 360.0 -79.4 -19.0 26.4 14.7 73.7 102 102 A Q < 0 0 138 -3,-2.4 -3,-0.1 -4,-0.1 -28,-0.0 0.076 360.0 360.0-126.6 360.0 29.3 12.3 73.2 103 ! 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 0 164 0, 0.0 2,-0.4 0, 0.0 37,-0.0 0.000 360.0 360.0 360.0 11.7 41.1 9.6 66.2 105 117 A E - 0 0 112 1,-0.1 3,-0.1 3,-0.0 0, 0.0 -0.755 360.0-126.0 -90.6 128.2 41.7 11.2 62.8 106 118 A S - 0 0 38 -2,-0.4 36,-0.1 1,-0.1 -1,-0.1 -0.178 40.2 -77.4 -67.2 162.0 39.1 13.8 61.5 107 119 A L - 0 0 0 34,-0.3 -104,-1.6 -105,-0.1 -103,-0.6 -0.287 40.8-147.2 -67.8 143.6 37.3 13.6 58.2 108 120 A T B > -A 2 0A 35 -106,-0.3 4,-1.8 -105,-0.1 -106,-0.3 -0.818 20.8-126.0-108.9 150.8 39.0 14.4 54.9 109 121 A V H > S+ 0 0 0 -108,-1.8 4,-2.8 -2,-0.3 5,-0.2 0.884 111.0 58.6 -59.4 -38.5 37.4 15.9 51.8 110 122 A D H > S+ 0 0 79 -109,-0.4 4,-3.0 1,-0.2 -1,-0.2 0.937 106.3 44.9 -53.8 -52.9 38.8 12.9 49.8 111 123 A E H > S+ 0 0 49 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.806 113.3 52.2 -70.5 -28.6 37.1 10.2 51.9 112 124 A V H X S+ 0 0 3 -4,-1.8 4,-3.4 2,-0.2 5,-0.3 0.973 113.3 41.9 -64.9 -56.8 33.8 12.2 51.8 113 125 A Y H X S+ 0 0 41 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.895 116.6 50.9 -58.2 -42.7 33.9 12.5 48.0 114 126 A S H X S+ 0 0 64 -4,-3.0 4,-1.5 -5,-0.2 3,-0.3 0.975 117.0 38.6 -54.6 -59.2 35.0 8.9 47.7 115 127 A T H >X S+ 0 0 23 -4,-2.6 4,-2.0 1,-0.2 3,-0.7 0.969 113.3 52.9 -60.3 -57.1 32.2 7.6 50.0 116 128 A L H 3X S+ 0 0 0 -4,-3.4 4,-1.9 1,-0.3 -1,-0.2 0.762 105.8 56.9 -56.7 -27.0 29.4 9.9 48.8 117 129 A S H 3X S+ 0 0 19 -4,-1.6 4,-3.1 -5,-0.3 -1,-0.3 0.934 105.5 49.6 -63.4 -48.9 30.1 8.8 45.2 118 130 A K H S+ 0 0 48 -2,-0.3 3,-1.4 2,-0.0 4,-0.1 0.083 94.5 1.3 84.7 161.0 20.2 -2.7 42.5 125 137 A E T 3 S+ 0 0 195 1,-0.2 -2,-0.1 2,-0.1 0, 0.0 0.313 131.6 6.1 -15.9 113.0 19.7 -5.6 44.8 126 138 A G T 3> S+ 0 0 41 1,-0.0 4,-0.8 3,-0.0 -1,-0.2 0.506 90.2 115.1 88.0 6.4 21.3 -5.0 48.3 127 139 A S H X> + 0 0 19 -3,-1.4 4,-3.2 2,-0.2 3,-0.5 0.890 65.1 68.0 -76.3 -39.0 22.4 -1.4 47.8 128 140 A R H 3> S+ 0 0 129 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.900 103.5 45.6 -37.9 -53.8 20.0 -0.0 50.4 129 141 A D H 3> S+ 0 0 66 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.799 112.5 49.7 -69.2 -31.0 22.1 -1.8 53.1 130 142 A L H - 0 0 48 -36,-0.0 4,-3.1 -2,-0.0 5,-0.2 -0.462 43.4 -83.9 -83.8 166.1 32.3 15.5 64.3 144 156 A P H > S+ 0 0 41 0, 0.0 4,-2.1 0, 0.0 -45,-0.1 0.860 128.3 37.1 -33.1 -66.6 29.1 17.2 65.4 145 157 A L H > S+ 0 0 29 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.885 115.5 55.2 -63.8 -40.4 29.0 20.0 62.8 146 158 A E H > S+ 0 0 3 2,-0.2 4,-2.2 1,-0.2 3,-0.4 0.967 108.1 49.2 -54.1 -55.7 30.4 17.8 60.1 147 159 A A H >X S+ 0 0 1 -4,-3.1 4,-2.3 1,-0.2 3,-0.7 0.945 105.8 56.5 -47.7 -59.5 27.6 15.3 60.7 148 160 A K H 3X S+ 0 0 14 -4,-2.1 4,-1.7 1,-0.3 -1,-0.2 0.839 114.5 39.0 -42.7 -44.4 24.8 18.0 60.5 149 161 A F H 3X S+ 0 0 1 -4,-1.7 4,-2.0 -3,-0.4 -1,-0.3 0.731 107.8 60.1 -89.4 -21.7 26.0 19.1 57.1 150 162 A L H X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.2 3,-0.6 0.994 109.7 46.6 -66.2 -60.3 23.1 14.9 56.4 152 164 A R H 3X S+ 0 0 37 -4,-1.7 4,-0.8 1,-0.3 6,-0.2 0.859 110.9 55.9 -50.0 -41.2 21.7 18.0 54.6 153 165 A F H >< S+ 0 0 9 -4,-2.0 3,-0.7 1,-0.2 -1,-0.3 0.913 111.7 40.1 -56.3 -49.2 24.0 17.2 51.7 154 166 A V H << S+ 0 0 0 -4,-1.7 -93,-0.5 -3,-0.6 -1,-0.2 0.730 110.7 59.8 -74.3 -23.6 22.7 13.7 51.1 155 167 A E H 3< S- 0 0 34 -4,-2.0 -1,-0.2 -95,-0.1 -2,-0.2 0.650 108.3-123.3 -79.8 -16.1 19.1 14.8 51.8 156 168 A G S << S+ 0 0 50 -4,-0.8 2,-3.3 -3,-0.7 -3,-0.1 -0.131 80.2 121.6 93.5 -31.0 19.3 17.2 48.9 157 169 A R + 0 0 108 1,-0.2 2,-0.6 -6,-0.1 3,-0.2 -0.032 23.3 123.0 -64.8 39.0 18.4 19.9 51.4 158 170 A L + 0 0 17 -2,-3.3 3,-0.4 -5,-0.2 -1,-0.2 -0.556 34.5 173.6 -97.5 60.2 21.5 21.9 50.7 159 171 A R + 0 0 179 -2,-0.6 2,-3.0 1,-0.2 -1,-0.2 0.841 26.4 135.0 -8.4 -78.1 19.4 24.9 49.9 160 172 A V - 0 0 37 1,-0.2 -1,-0.2 -3,-0.2 3,-0.1 -0.110 51.5-148.1 46.8 -61.5 22.6 27.1 49.6 161 173 A G + 0 0 72 -2,-3.0 2,-0.4 -3,-0.4 -1,-0.2 0.870 49.1 129.3 67.3 38.8 21.6 28.8 46.3 162 174 A I - 0 0 18 -116,-0.2 2,-0.3 -3,-0.2 -1,-0.3 -0.927 33.3-177.0-115.2 150.9 25.0 29.3 44.8 163 175 A G >> - 0 0 27 -2,-0.4 3,-1.8 -3,-0.1 4,-1.6 -0.867 45.4 -73.4-139.8 173.3 25.8 28.2 41.3 164 176 A D H 3> S+ 0 0 36 -2,-0.3 4,-2.8 1,-0.3 5,-0.2 0.797 125.9 54.7 -31.9 -52.8 28.6 28.0 38.8 165 177 A A H 3> S+ 0 0 73 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.858 106.2 51.8 -55.7 -39.9 28.6 31.8 38.1 166 178 A T H <> S+ 0 0 28 -3,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.917 111.5 47.7 -64.3 -43.1 29.1 32.5 41.9 167 179 A V H X S+ 0 0 0 -4,-1.6 4,-2.7 2,-0.2 5,-0.2 0.930 108.3 52.7 -67.0 -48.7 32.0 30.1 41.9 168 180 A L H X S+ 0 0 11 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.948 108.7 51.7 -50.3 -51.5 33.7 31.5 38.8 169 181 A D H X S+ 0 0 29 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.928 112.5 46.1 -51.8 -47.1 33.5 35.0 40.4 170 182 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.823 108.7 54.8 -67.2 -32.0 35.1 33.6 43.5 171 183 A M H X>S+ 0 0 0 -4,-2.7 4,-3.2 2,-0.2 5,-1.3 0.865 105.1 53.7 -69.1 -37.0 37.8 31.8 41.5 172 184 A A H <5S+ 0 0 0 -4,-2.6 6,-2.0 3,-0.2 5,-0.5 0.952 113.1 44.2 -55.4 -46.9 38.8 35.1 39.8 173 185 A I H <5S+ 0 0 50 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.889 121.7 38.0 -67.6 -40.0 39.2 36.5 43.4 174 186 A A H <5S+ 0 0 24 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.794 137.1 9.9 -79.7 -34.6 41.1 33.5 44.7 175 187 A F T <5S+ 0 0 62 -4,-3.2 32,-0.3 -5,-0.2 -3,-0.2 0.735 120.6 57.0-123.3 -38.8 43.2 32.6 41.7 176 188 A G S S- 0 0 21 -6,-2.0 3,-1.7 1,-0.1 -3,-0.1 -0.642 92.2 -53.0 131.7 174.3 41.1 39.9 41.5 179 191 A Q G > S+ 0 0 108 1,-0.3 3,-2.3 -2,-0.2 4,-0.2 0.771 113.4 71.0 -55.9 -39.0 37.9 40.9 39.7 180 192 A S G > S+ 0 0 114 1,-0.3 3,-0.6 2,-0.1 4,-0.3 0.685 87.2 69.4 -54.6 -19.7 39.5 41.8 36.3 181 193 A A G <> S+ 0 0 7 -3,-1.7 4,-1.6 1,-0.2 -1,-0.3 0.374 73.7 91.1 -81.5 3.5 40.2 38.1 35.7 182 194 A S H <> S+ 0 0 17 -3,-2.3 4,-3.0 1,-0.2 5,-0.3 0.910 76.8 59.8 -66.7 -41.9 36.5 37.4 35.4 183 195 A E H <> S+ 0 0 157 -3,-0.6 4,-3.0 -4,-0.2 -1,-0.2 0.925 107.7 43.6 -54.5 -55.2 36.4 37.9 31.6 184 196 A I H > S+ 0 0 30 -4,-0.3 4,-2.6 2,-0.2 5,-0.2 0.941 114.6 47.8 -56.6 -53.6 38.9 35.1 30.8 185 197 A I H X S+ 0 0 1 -4,-1.6 4,-2.8 1,-0.2 5,-0.2 0.954 114.5 47.5 -56.4 -51.2 37.4 32.6 33.2 186 198 A E H X S+ 0 0 99 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.912 110.1 53.0 -50.6 -50.9 33.9 33.3 31.9 187 199 A R H X S+ 0 0 95 -4,-3.0 4,-1.0 -5,-0.3 -1,-0.2 0.943 112.7 43.7 -51.1 -53.5 35.2 33.1 28.3 188 200 A A H >X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 3,-1.2 0.933 111.6 52.3 -60.3 -48.8 36.7 29.6 28.9 189 201 A Y H 3< S+ 0 0 22 -4,-2.8 3,-0.4 1,-0.3 33,-0.3 0.908 104.4 58.2 -56.9 -44.6 33.7 28.3 30.9 190 202 A N H 3< S+ 0 0 39 -4,-2.7 32,-1.8 1,-0.3 -1,-0.3 0.775 112.5 39.7 -51.1 -34.6 31.4 29.4 28.0 191 203 A L H << S+ 0 0 10 -3,-1.2 25,-0.4 -4,-1.0 -1,-0.3 0.634 131.8 26.8 -91.9 -17.5 33.4 27.1 25.7 192 204 A R S < S- 0 0 29 -4,-1.6 2,-3.0 -3,-0.4 -1,-0.3 -0.676 73.6-161.5-148.1 84.1 33.8 24.4 28.2 193 205 A A + 0 0 6 27,-2.3 2,-0.4 -3,-0.3 -140,-0.2 -0.263 55.8 108.7 -75.6 62.4 30.9 24.4 30.7 194 206 A D > - 0 0 25 -2,-3.0 4,-2.1 1,-0.1 3,-0.4 -0.843 49.6-165.3-142.6 94.5 32.7 22.3 33.4 195 207 A L H > S+ 0 0 0 -2,-0.4 4,-3.2 1,-0.2 5,-0.2 0.845 89.5 52.4 -47.8 -47.6 33.7 24.3 36.5 196 208 A G H > S+ 0 0 2 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.875 108.4 49.5 -60.1 -43.7 36.0 21.5 37.7 197 209 A N H > S+ 0 0 41 -3,-0.4 4,-1.7 2,-0.2 -2,-0.2 0.906 115.6 43.5 -62.0 -44.3 37.9 21.3 34.5 198 210 A I H X S+ 0 0 0 -4,-2.1 4,-3.0 -6,-0.2 -2,-0.2 0.926 112.9 52.8 -63.6 -48.5 38.4 25.1 34.3 199 211 A A H X S+ 0 0 0 -4,-3.2 4,-2.3 -5,-0.2 -2,-0.2 0.924 107.8 51.9 -52.4 -48.7 39.3 25.1 38.0 200 212 A K H X S+ 0 0 68 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.889 111.6 45.9 -57.0 -44.9 42.0 22.4 37.5 201 213 A I H X>S+ 0 0 10 -4,-1.7 5,-1.6 2,-0.2 4,-0.8 0.963 109.8 54.2 -64.2 -49.3 43.5 24.4 34.6 202 214 A I H <5S+ 0 0 7 -4,-3.0 5,-0.2 1,-0.2 -2,-0.2 0.879 117.3 38.2 -50.0 -43.0 43.5 27.7 36.6 203 215 A V H <5S+ 0 0 40 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.941 124.6 33.8 -77.1 -52.7 45.3 26.0 39.5 204 216 A E H <5S+ 0 0 113 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.1 0.999 134.8 19.1 -68.8 -69.7 47.8 23.7 37.6 205 217 A K T <5S- 0 0 145 -4,-0.8 4,-0.2 -5,-0.3 3,-0.2 0.630 110.4-121.5 -80.8 -15.4 48.8 25.7 34.5 206 218 A G >>< - 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