==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 20-AUG-10 3OIY . COMPND 2 MOLECULE: REVERSE GYRASE HELICASE DOMAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR M.G.RUDOLPH,D.KLOSTERMEIER . 807 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38576.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 585 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 115 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.7 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 . 2 0.2 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 . 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 . 62 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 303 37.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.2 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 2 1 4 1 1 3 4 2 1 7 2 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 6 4 8 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 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 0 2 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 58 A A 0 0 138 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 124.3 9.6 22.6 43.1 2 59 A E + 0 0 188 1,-0.1 4,-0.0 2,-0.0 0, 0.0 -0.352 360.0 166.8 -62.5 140.2 11.0 22.1 46.6 3 60 A F > + 0 0 24 2,-0.1 4,-2.1 -2,-0.0 3,-0.4 0.454 44.2 98.8-135.4 -11.9 8.4 21.0 49.3 4 61 A W H > S+ 0 0 33 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.808 85.0 50.2 -56.8 -36.3 10.3 19.7 52.3 5 62 A N H > S+ 0 0 115 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.860 112.0 48.0 -71.0 -36.1 10.1 22.9 54.4 6 63 A E H > S+ 0 0 78 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.844 110.7 53.1 -67.4 -38.9 6.3 23.1 53.8 7 64 A Y H X S+ 0 0 5 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.907 110.0 45.9 -62.8 -46.4 6.0 19.5 54.8 8 65 A E H X S+ 0 0 62 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.848 111.7 53.0 -66.8 -34.0 7.8 20.0 58.1 9 66 A D H X S+ 0 0 83 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.907 113.2 43.5 -64.0 -45.4 5.6 23.1 58.7 10 67 A F H X S+ 0 0 4 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.934 113.7 51.7 -62.0 -51.3 2.5 20.9 58.1 11 68 A R H X S+ 0 0 47 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.856 112.9 44.5 -54.3 -44.1 4.0 18.1 60.3 12 69 A S H X S+ 0 0 74 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.882 112.3 51.2 -70.2 -43.0 4.7 20.5 63.2 13 70 A F H X S+ 0 0 13 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.916 111.1 49.8 -60.4 -45.2 1.3 22.2 62.9 14 71 A F H X>S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 5,-0.7 0.939 112.4 45.4 -58.4 -53.5 -0.4 18.8 63.0 15 72 A K H X5S+ 0 0 106 -4,-2.1 4,-1.3 3,-0.2 -2,-0.2 0.906 116.6 46.2 -58.7 -43.8 1.6 17.6 66.1 16 73 A K H <5S+ 0 0 163 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.931 122.9 32.9 -64.0 -50.1 0.9 20.9 68.0 17 74 A K H <5S+ 0 0 50 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.891 126.5 37.7 -78.0 -45.8 -2.8 21.1 67.1 18 75 A F H <5S- 0 0 82 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.829 99.3-132.1 -76.7 -31.8 -3.9 17.4 67.1 19 76 A G S < - 0 0 61 24,-0.2 4,-2.3 25,-0.1 5,-0.2 -0.265 31.9 -91.4 -79.0 175.2 0.6 8.4 61.1 24 81 A G H > S+ 0 0 6 731,-0.2 4,-1.3 2,-0.2 612,-0.1 0.919 129.5 42.1 -50.9 -51.1 2.4 6.5 58.3 25 82 A Y H > S+ 0 0 20 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.905 112.5 53.0 -64.5 -45.4 -0.6 7.1 55.9 26 83 A Q H > S+ 0 0 7 21,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.802 104.4 57.0 -61.4 -32.6 -1.0 10.8 57.0 27 84 A R H X S+ 0 0 46 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.910 109.5 45.8 -60.7 -44.7 2.7 11.4 56.3 28 85 A L H X S+ 0 0 38 -4,-1.3 4,-0.9 2,-0.2 -2,-0.2 0.894 114.5 47.3 -63.8 -44.2 2.1 10.2 52.7 29 86 A W H X S+ 0 0 5 -4,-2.2 4,-2.1 1,-0.2 3,-0.3 0.849 110.0 53.4 -68.5 -37.4 -1.1 12.3 52.4 30 87 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.906 102.6 57.2 -62.5 -45.2 0.7 15.4 53.8 31 88 A K H < S+ 0 0 22 -4,-2.0 4,-0.3 1,-0.2 -1,-0.2 0.783 111.6 44.3 -57.7 -28.2 3.5 15.1 51.2 32 89 A R H ><>S+ 0 0 82 -4,-0.9 5,-2.3 -3,-0.3 3,-1.0 0.921 111.4 50.2 -80.2 -49.3 0.8 15.3 48.5 33 90 A I H ><5S+ 0 0 5 -4,-2.1 3,-1.4 1,-0.3 -2,-0.2 0.883 107.7 54.9 -55.0 -44.4 -1.2 18.2 50.0 34 91 A V T 3<5S+ 0 0 22 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.677 109.8 47.4 -64.7 -22.2 2.0 20.3 50.5 35 92 A Q T < 5S- 0 0 66 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.374 118.4-110.2 -99.9 -0.7 2.7 19.8 46.7 36 93 A G T < 5 + 0 0 40 -3,-1.4 -3,-0.2 -4,-0.4 2,-0.2 0.592 65.8 152.6 81.6 14.8 -0.9 20.8 45.6 37 94 A K < - 0 0 94 -5,-2.3 2,-0.3 -6,-0.1 -1,-0.2 -0.479 38.7-139.8 -84.1 147.3 -1.8 17.2 44.5 38 95 A S + 0 0 9 179,-0.7 2,-0.3 -2,-0.2 159,-0.2 -0.696 33.9 158.3 -95.6 150.6 -5.2 15.6 44.4 39 96 A F E -a 197 0A 8 157,-1.7 159,-1.8 -2,-0.3 2,-0.4 -0.995 42.6-108.2-167.8 165.5 -5.6 12.0 45.5 40 97 A T E -a 198 0A 15 -2,-0.3 2,-0.9 180,-0.2 159,-0.2 -0.890 36.7-125.1-101.5 130.7 -7.8 9.2 46.8 41 98 A M - 0 0 0 157,-2.7 2,-0.8 -2,-0.4 160,-0.1 -0.730 26.2-168.8 -79.2 106.7 -7.2 8.1 50.4 42 99 A V + 0 0 109 -2,-0.9 158,-0.1 158,-0.1 157,-0.0 -0.886 45.0 96.4-102.7 98.7 -6.5 4.4 50.2 43 100 A A S S- 0 0 20 -2,-0.8 711,-0.1 156,-0.2 -2,-0.0 -0.912 71.4 -96.5-171.4 158.2 -6.5 3.1 53.8 44 101 A P - 0 0 59 0, 0.0 2,-0.5 0, 0.0 3,-0.4 0.217 53.8 -71.5 -74.3-159.1 -9.2 1.4 56.1 45 102 A T S S+ 0 0 143 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.873 110.3 32.3-103.2 129.8 -11.5 3.1 58.7 46 103 A G S S+ 0 0 84 -2,-0.5 -1,-0.2 0, 0.0 0, 0.0 0.454 82.0 105.2 108.2 6.3 -10.0 4.5 62.0 47 104 A V S S- 0 0 38 -3,-0.4 -21,-0.2 -24,-0.0 -24,-0.2 0.223 101.8 -85.3-100.6 12.0 -6.5 5.6 60.8 48 105 A G S > S+ 0 0 16 -23,-0.1 4,-2.0 -26,-0.1 5,-0.1 0.815 75.2 143.8 92.6 39.7 -7.3 9.4 60.7 49 106 A K H > S+ 0 0 29 2,-0.2 4,-1.9 1,-0.1 5,-0.1 0.949 81.4 37.1 -71.6 -51.3 -9.0 10.2 57.4 50 107 A T H > S+ 0 0 32 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.892 116.7 53.7 -66.5 -42.0 -11.5 12.9 58.6 51 108 A T H > S+ 0 0 20 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.927 108.8 50.3 -57.0 -48.5 -8.9 14.2 61.2 52 109 A F H X S+ 0 0 1 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.907 111.7 46.0 -58.9 -47.4 -6.4 14.7 58.3 53 110 A G H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.875 114.2 50.2 -63.1 -38.2 -8.9 16.6 56.1 54 111 A M H X S+ 0 0 1 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.910 112.8 44.8 -66.2 -43.1 -9.9 18.7 59.1 55 112 A M H X S+ 0 0 1 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.845 110.4 55.1 -70.5 -35.0 -6.2 19.5 59.9 56 113 A T H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.945 107.5 49.7 -60.0 -51.5 -5.4 20.3 56.3 57 114 A A H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.866 112.0 49.1 -53.7 -43.0 -8.2 22.8 56.1 58 115 A L H X S+ 0 0 2 -4,-1.5 4,-1.0 2,-0.2 -1,-0.2 0.892 111.8 47.3 -66.2 -44.2 -6.9 24.5 59.3 59 116 A W H < S+ 0 0 6 -4,-2.3 4,-0.5 1,-0.2 3,-0.4 0.897 112.3 49.5 -64.5 -42.9 -3.3 24.7 58.0 60 117 A L H ><>S+ 0 0 4 -4,-2.6 5,-2.3 1,-0.2 3,-1.2 0.856 103.8 61.4 -63.5 -38.5 -4.4 26.1 54.6 61 118 A A H ><5S+ 0 0 1 -4,-1.8 3,-1.9 1,-0.2 -1,-0.2 0.804 92.8 63.8 -57.7 -36.5 -6.6 28.7 56.5 62 119 A R T 3<5S+ 0 0 116 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.758 105.2 46.9 -58.0 -29.4 -3.4 30.2 58.2 63 120 A K T < 5S- 0 0 93 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.224 126.5-104.6 -94.2 5.9 -2.3 31.1 54.7 64 121 A G T < 5S+ 0 0 38 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.559 73.0 147.0 78.7 12.0 -5.7 32.6 53.9 65 122 A K < - 0 0 82 -5,-2.3 2,-0.3 -6,-0.1 -1,-0.2 -0.435 42.9-123.0 -84.5 153.5 -6.8 29.6 51.7 66 123 A K - 0 0 48 -2,-0.1 76,-1.5 73,-0.1 75,-1.4 -0.754 24.6-173.6-104.5 141.5 -10.3 28.2 51.4 67 124 A S E -bc 120 142A 0 52,-2.6 54,-2.5 -2,-0.3 2,-0.4 -0.969 15.2-158.6-134.0 148.8 -11.7 24.7 52.1 68 125 A A E -bc 121 143A 0 74,-2.3 76,-2.7 -2,-0.3 2,-0.6 -0.998 8.7-163.4-125.6 122.3 -14.9 22.8 51.7 69 126 A L E -bc 122 144A 0 52,-2.7 54,-2.0 -2,-0.4 2,-0.5 -0.960 11.7-166.0-109.4 114.3 -15.4 19.6 53.8 70 127 A V E -bc 123 145A 3 74,-3.0 76,-2.7 -2,-0.6 77,-0.4 -0.913 7.8-179.4-111.9 121.7 -18.3 17.5 52.4 71 128 A F E -b 124 0A 1 52,-1.9 54,-1.6 -2,-0.5 55,-0.3 -0.862 33.0-134.9-121.5 152.8 -19.9 14.6 54.4 72 129 A P S S+ 0 0 49 0, 0.0 2,-0.3 0, 0.0 54,-0.1 0.728 89.0 49.8 -76.1 -19.4 -22.6 12.1 53.7 73 130 A T S > S- 0 0 61 50,-0.1 4,-1.2 1,-0.1 -2,-0.1 -0.860 73.3-132.5-124.8 153.2 -24.3 12.6 57.1 74 131 A V H > S+ 0 0 57 -2,-0.3 4,-2.8 2,-0.2 5,-0.2 0.844 108.4 57.4 -65.5 -39.1 -25.5 15.6 59.3 75 132 A T H > S+ 0 0 84 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.891 104.8 51.6 -65.2 -35.4 -23.8 14.2 62.4 76 133 A L H > S+ 0 0 43 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.868 110.9 48.8 -65.2 -37.3 -20.4 14.2 60.6 77 134 A V H X S+ 0 0 0 -4,-1.2 4,-2.2 2,-0.2 -2,-0.2 0.956 114.5 45.2 -63.6 -51.5 -21.1 17.9 59.6 78 135 A K H X S+ 0 0 74 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.888 114.8 46.8 -57.2 -50.5 -22.0 18.7 63.3 79 136 A Q H X S+ 0 0 105 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.851 112.9 48.5 -63.1 -39.8 -19.0 16.8 64.8 80 137 A T H X S+ 0 0 3 -4,-1.7 4,-2.5 -5,-0.2 -2,-0.2 0.900 111.4 50.4 -70.8 -40.4 -16.5 18.3 62.4 81 138 A L H X S+ 0 0 9 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.904 111.5 48.8 -57.9 -48.0 -17.8 21.8 63.0 82 139 A E H X S+ 0 0 119 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.907 113.4 45.4 -59.4 -50.4 -17.5 21.3 66.8 83 140 A R H X S+ 0 0 90 -4,-2.2 4,-1.6 2,-0.2 3,-0.3 0.900 114.4 50.0 -62.3 -42.9 -14.0 20.0 66.6 84 141 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 3,-0.2 0.932 107.8 51.4 -62.1 -49.1 -12.9 22.8 64.2 85 142 A Q H < S+ 0 0 106 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.735 112.7 47.1 -64.1 -22.3 -14.4 25.6 66.4 86 143 A K H < S+ 0 0 184 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.768 117.8 41.9 -84.3 -31.7 -12.5 24.3 69.4 87 144 A L H < S+ 0 0 42 -4,-1.6 -2,-0.2 -3,-0.2 -3,-0.2 0.700 94.6 108.4 -85.5 -26.3 -9.2 23.9 67.4 88 145 A A < - 0 0 30 -4,-2.5 2,-0.1 -5,-0.2 -30,-0.0 -0.170 63.0-131.2 -60.2 146.2 -9.5 27.2 65.5 89 146 A D - 0 0 61 -31,-0.1 3,-0.2 1,-0.0 -1,-0.1 -0.323 36.1 -96.4 -84.2 171.3 -7.4 30.3 66.1 90 147 A E S S+ 0 0 209 1,-0.2 -2,-0.1 -2,-0.1 -1,-0.0 0.876 120.3 51.8 -57.8 -44.2 -9.0 33.8 66.5 91 148 A K S S+ 0 0 120 2,-0.1 -1,-0.2 -29,-0.0 2,-0.1 0.824 85.1 101.2 -63.8 -42.4 -8.5 34.8 62.7 92 149 A V - 0 0 20 -3,-0.2 2,-0.8 1,-0.1 -30,-0.0 -0.306 59.7-149.5 -65.4 125.4 -10.1 31.7 61.1 93 150 A K + 0 0 80 -2,-0.1 26,-2.8 -32,-0.1 27,-2.2 -0.838 21.2 177.8 -96.8 102.1 -13.7 32.0 59.7 94 151 A I E +d 120 0A 17 -2,-0.8 2,-0.3 25,-0.2 27,-0.2 -0.936 2.8 172.6-113.4 130.2 -15.5 28.6 60.0 95 152 A F E -d 121 0A 44 25,-2.3 27,-1.6 -2,-0.4 2,-0.3 -0.999 6.9-170.9-137.8 138.4 -19.2 28.1 58.9 96 153 A G E -d 122 0A 5 -2,-0.3 2,-0.3 25,-0.2 27,-0.2 -0.799 3.1-160.5-123.3 166.8 -21.3 25.0 58.6 97 154 A F + 0 0 14 25,-1.7 27,-0.4 -2,-0.3 2,-0.3 -0.964 19.3 150.9-153.7 134.8 -24.8 24.1 57.3 98 155 A Y > - 0 0 44 -2,-0.3 3,-1.3 25,-0.1 8,-0.0 -0.936 50.3-111.8-151.2 154.9 -27.4 21.3 57.6 99 156 A S T 3 S+ 0 0 88 -2,-0.3 7,-0.1 1,-0.2 -1,-0.0 0.797 112.4 60.1 -64.3 -30.4 -31.2 21.5 57.2 100 157 A S T 3 S+ 0 0 87 2,-0.0 -1,-0.2 -3,-0.0 2,-0.1 0.304 84.8 118.4 -79.6 9.5 -32.0 20.9 61.0 101 158 A M S < S- 0 0 23 -3,-1.3 2,-0.1 1,-0.1 -4,-0.0 -0.329 74.2 -95.5 -74.9 156.2 -30.0 24.0 61.9 102 159 A K > - 0 0 170 1,-0.1 4,-2.6 -2,-0.1 3,-0.2 -0.435 30.2-118.6 -69.1 146.6 -31.4 27.2 63.6 103 160 A K H > S+ 0 0 162 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.825 115.5 57.4 -54.9 -34.7 -32.5 30.0 61.3 104 161 A E H > S+ 0 0 145 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.921 110.7 40.1 -59.6 -52.8 -29.9 32.2 63.1 105 162 A E H > S+ 0 0 70 -3,-0.2 4,-1.5 1,-0.2 3,-0.3 0.882 112.4 55.3 -68.5 -40.5 -27.0 29.8 62.3 106 163 A K H X S+ 0 0 51 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.867 106.7 52.2 -57.8 -41.2 -28.2 29.2 58.7 107 164 A E H X S+ 0 0 112 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.793 105.2 53.7 -68.7 -32.3 -28.3 32.9 58.0 108 165 A K H X S+ 0 0 97 -4,-1.1 4,-1.6 -3,-0.3 -1,-0.2 0.853 111.9 46.7 -66.3 -39.6 -24.6 33.4 59.2 109 166 A F H X S+ 0 0 1 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.967 113.6 47.0 -64.7 -54.8 -23.6 30.6 56.7 110 167 A E H X S+ 0 0 82 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.793 111.3 51.9 -58.7 -37.7 -25.6 32.1 53.8 111 168 A K H X S+ 0 0 119 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.963 116.2 37.6 -64.0 -57.4 -24.3 35.7 54.4 112 169 A S H X>S+ 0 0 6 -4,-1.6 5,-1.5 2,-0.2 4,-0.9 0.788 112.8 58.3 -68.0 -31.4 -20.6 34.8 54.4 113 170 A F H <5S+ 0 0 6 -4,-2.5 3,-0.4 2,-0.2 -1,-0.2 0.941 114.0 39.0 -61.1 -47.6 -21.1 32.1 51.6 114 171 A E H <5S+ 0 0 157 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.870 119.6 45.8 -67.5 -43.0 -22.5 34.9 49.4 115 172 A E H <5S- 0 0 95 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.453 105.9-125.0 -80.5 -6.8 -19.9 37.6 50.6 116 173 A D T <5 + 0 0 77 -4,-0.9 2,-0.9 -3,-0.4 -3,-0.2 0.710 64.1 141.6 62.0 27.8 -16.9 35.2 50.3 117 174 A D < + 0 0 72 -5,-1.5 2,-0.3 -6,-0.1 -1,-0.1 -0.497 39.2 93.1 -96.2 59.2 -16.1 35.9 54.0 118 175 A Y - 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0 0 72 25,-0.1 4,-2.3 -3,-0.1 5,-0.2 -0.266 31.9 -91.7 -79.6 175.2 -1.3 -5.2 17.5 431 81 B G H > S+ 0 0 29 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.918 129.7 42.3 -50.3 -50.1 2.4 -4.3 18.4 432 82 B Y H > S+ 0 0 51 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.902 112.3 52.7 -65.7 -46.0 2.1 -6.3 21.7 433 83 B Q H > S+ 0 0 7 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.803 104.6 57.0 -61.8 -32.3 0.2 -9.3 20.1 434 84 B R H X S+ 0 0 44 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.914 109.5 45.9 -60.7 -45.6 3.0 -9.5 17.4 435 85 B L H X S+ 0 0 22 -4,-1.3 4,-0.9 2,-0.2 -2,-0.2 0.896 114.2 47.6 -63.0 -44.8 5.5 -10.0 20.2 436 86 B W H X S+ 0 0 2 -4,-2.3 4,-2.2 1,-0.2 3,-0.3 0.858 110.0 53.0 -67.5 -37.6 3.2 -12.5 22.0 437 87 B A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.904 103.3 56.5 -63.0 -44.6 2.7 -14.4 18.7 438 88 B K H < S+ 0 0 13 -4,-2.0 4,-0.3 1,-0.2 -1,-0.2 0.787 111.7 44.8 -58.3 -28.9 6.4 -14.8 18.1 439 89 B R H ><>S+ 0 0 18 -4,-0.9 5,-2.3 -3,-0.3 3,-1.0 0.917 111.2 50.2 -80.0 -48.4 6.7 -16.4 21.6 440 90 B I H ><5S+ 0 0 6 -4,-2.2 3,-1.4 1,-0.3 -2,-0.2 0.891 107.6 54.9 -55.7 -44.5 3.7 -18.8 21.2 441 91 B V T 3<5S+ 0 0 17 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.679 110.4 46.9 -64.5 -21.6 4.9 -20.0 17.9 442 92 B Q T < 5S- 0 0 73 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.372 118.3-110.4-101.3 -0.8 8.3 -20.9 19.6 443 93 B G T < 5 + 0 0 39 -3,-1.4 -3,-0.2 -4,-0.4 2,-0.2 0.603 65.4 152.7 81.1 15.7 6.6 -22.7 22.5 444 94 B K < - 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