==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-SEP-11 4A15 . COMPND 2 MOLECULE: ATP-DEPENDENT DNA HELICASE TA0057; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOPLASMA ACIDOPHILUM; . AUTHOR J.KUPER,S.C.WOLSKI,G.MICHELS,C.KISKER . 596 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27108.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 448 75.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 61 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 3.4 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 37 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 247 41.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.0 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 4 1 0 1 2 1 3 2 0 4 1 0 3 1 1 1 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 3 3 4 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 PARALLEL BRIDGES PER LADDER . 0 1 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 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 5 A R >> 0 0 90 0, 0.0 3,-2.4 0, 0.0 4,-1.0 0.000 360.0 360.0 360.0-117.2 -5.7 42.6 35.7 2 6 A Q H 3> + 0 0 133 1,-0.3 4,-1.4 2,-0.2 5,-0.2 0.781 360.0 56.3 -54.7 -40.6 -8.0 45.5 34.5 3 7 A Y H 3> S+ 0 0 62 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.767 104.7 57.2 -54.7 -30.7 -6.5 46.0 31.0 4 8 A Q H <> S+ 0 0 41 -3,-2.4 4,-3.0 2,-0.2 5,-0.2 0.917 100.7 54.1 -73.0 -42.0 -7.3 42.3 30.4 5 9 A V H X S+ 0 0 79 -4,-1.0 4,-2.5 2,-0.2 -2,-0.2 0.944 112.0 42.7 -56.4 -51.6 -11.0 42.5 31.1 6 10 A E H X S+ 0 0 114 -4,-1.4 4,-2.5 1,-0.2 -1,-0.2 0.889 114.5 50.9 -70.0 -36.7 -11.7 45.3 28.6 7 11 A A H X S+ 0 0 0 -4,-1.6 4,-2.7 2,-0.2 -1,-0.2 0.932 111.8 47.4 -60.8 -45.9 -9.4 43.7 26.0 8 12 A I H X S+ 0 0 14 -4,-3.0 4,-3.0 2,-0.2 -2,-0.2 0.921 112.5 50.2 -62.2 -39.5 -11.3 40.3 26.4 9 13 A D H X S+ 0 0 69 -4,-2.5 4,-2.6 -5,-0.2 5,-0.3 0.929 112.7 46.6 -61.7 -46.8 -14.6 42.1 26.2 10 14 A F H X S+ 0 0 42 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.875 113.6 47.7 -64.3 -41.5 -13.5 43.9 23.0 11 15 A L H X S+ 0 0 0 -4,-2.7 4,-1.5 2,-0.2 -2,-0.2 0.951 113.5 47.8 -64.9 -50.0 -12.1 40.7 21.5 12 16 A R H X S+ 0 0 82 -4,-3.0 4,-0.8 1,-0.2 3,-0.3 0.940 115.3 42.8 -57.1 -53.6 -15.3 38.6 22.3 13 17 A S H >X S+ 0 0 61 -4,-2.6 4,-0.9 1,-0.2 3,-0.6 0.871 109.6 58.6 -66.8 -35.0 -17.8 41.2 21.0 14 18 A S H 3X S+ 0 0 6 -4,-1.8 4,-1.2 -5,-0.3 3,-0.4 0.853 100.0 57.7 -59.1 -37.3 -15.7 41.9 17.9 15 19 A L H 3< S+ 0 0 0 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.765 98.9 58.7 -69.7 -26.9 -15.9 38.3 16.8 16 20 A Q H << S+ 0 0 108 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.855 119.6 28.0 -65.2 -35.1 -19.7 38.3 16.7 17 21 A K H < S+ 0 0 174 -4,-0.9 2,-0.3 -3,-0.4 -2,-0.2 0.383 120.4 46.1-114.7 3.4 -19.7 41.1 14.2 18 22 A S S < S- 0 0 18 -4,-1.2 377,-0.1 -5,-0.1 3,-0.1 -0.937 74.2-120.8-138.8 165.0 -16.4 40.7 12.2 19 23 A Y S S- 0 0 65 -2,-0.3 355,-1.7 375,-0.2 2,-0.3 0.679 94.8 -10.1 -77.3 -14.5 -14.4 38.0 10.6 20 24 A G E -a 374 0A 0 353,-0.2 2,-0.3 -6,-0.2 355,-0.2 -0.951 60.0-135.3-163.8-172.6 -11.5 39.0 12.9 21 25 A V E -a 375 0A 0 353,-1.5 355,-3.3 -2,-0.3 2,-0.4 -0.980 7.3-148.9-154.5 146.7 -10.0 41.3 15.5 22 26 A A E -ab 376 397A 0 374,-2.4 376,-1.8 -2,-0.3 2,-0.5 -0.946 13.1-175.8-125.9 131.1 -6.7 43.0 16.2 23 27 A L E -ab 377 398A 0 353,-2.6 355,-1.6 -2,-0.4 2,-0.5 -0.984 9.7-162.8-127.5 120.0 -5.4 43.8 19.6 24 28 A E E +ab 378 399A 6 374,-2.3 376,-3.1 -2,-0.5 355,-0.2 -0.898 24.2 157.7 -96.9 136.9 -2.2 45.7 20.4 25 29 A S - 0 0 0 353,-1.6 4,-0.1 -2,-0.5 376,-0.1 -0.960 38.7-104.6-159.9 135.6 -1.1 45.3 24.0 26 30 A P > - 0 0 20 0, 0.0 3,-1.7 0, 0.0 5,-0.2 0.016 46.7 -75.6 -68.2 170.5 2.4 45.7 25.4 27 31 A T T 3 S+ 0 0 22 1,-0.3 527,-0.1 2,-0.1 523,-0.0 -0.342 120.7 28.9 -59.4 139.2 4.9 43.1 26.5 28 32 A G T 3 S+ 0 0 37 525,-0.1 -1,-0.3 -3,-0.1 527,-0.1 0.453 88.1 109.3 84.5 2.7 4.0 41.6 29.8 29 33 A S S < S- 0 0 1 -3,-1.7 -2,-0.1 -4,-0.1 5,-0.1 0.602 88.5-113.7 -87.8 -9.3 0.2 42.2 29.2 30 34 A G > + 0 0 18 -4,-0.2 4,-2.4 3,-0.1 5,-0.2 0.941 48.0 170.0 78.6 52.3 -0.6 38.4 28.7 31 35 A K H > S+ 0 0 24 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.896 75.5 54.8 -62.7 -40.1 -1.6 38.5 25.1 32 36 A T H > S+ 0 0 4 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.924 111.0 44.6 -67.8 -36.7 -1.7 34.8 24.8 33 37 A I H > S+ 0 0 22 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.905 111.9 52.1 -72.0 -41.2 -4.1 34.5 27.8 34 38 A M H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.926 115.0 42.9 -56.9 -46.2 -6.3 37.4 26.5 35 39 A A H X S+ 0 0 0 -4,-2.9 4,-2.7 -5,-0.2 5,-0.2 0.931 114.6 49.7 -66.5 -44.8 -6.6 35.6 23.1 36 40 A L H X S+ 0 0 1 -4,-2.5 4,-3.6 -5,-0.2 5,-0.3 0.942 113.8 44.5 -63.3 -49.7 -7.1 32.2 24.7 37 41 A K H X S+ 0 0 87 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.855 115.9 47.0 -63.0 -41.2 -9.9 33.3 27.0 38 42 A S H X S+ 0 0 0 -4,-1.9 4,-2.8 -5,-0.3 -1,-0.2 0.918 118.0 42.1 -63.4 -47.2 -11.6 35.3 24.3 39 43 A A H X S+ 0 0 0 -4,-2.7 4,-3.3 2,-0.2 -2,-0.2 0.921 116.5 46.9 -69.2 -47.5 -11.4 32.5 21.8 40 44 A L H X S+ 0 0 27 -4,-3.6 4,-2.2 -5,-0.2 5,-0.2 0.935 114.9 48.1 -60.5 -46.4 -12.3 29.8 24.2 41 45 A Q H >X S+ 0 0 69 -4,-2.3 4,-1.5 -5,-0.3 3,-0.8 0.991 118.3 40.2 -53.8 -65.0 -15.2 31.9 25.5 42 46 A Y H 3X S+ 0 0 12 -4,-2.8 4,-1.3 1,-0.2 -2,-0.2 0.842 117.5 48.3 -48.4 -45.6 -16.4 32.6 22.0 43 47 A S H 3X>S+ 0 0 7 -4,-3.3 5,-2.1 1,-0.2 4,-1.0 0.768 104.7 57.8 -76.6 -24.8 -15.7 29.1 20.7 44 48 A S H <<5S+ 0 0 97 -4,-2.2 3,-0.2 -3,-0.8 -1,-0.2 0.886 107.2 49.6 -71.2 -36.5 -17.5 27.3 23.5 45 49 A E H <5S+ 0 0 118 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.897 121.4 32.5 -64.6 -41.8 -20.7 29.1 22.8 46 50 A R H <5S- 0 0 104 -4,-1.3 -1,-0.2 2,-0.1 -2,-0.2 0.361 108.1-114.2-104.9 3.8 -20.6 28.3 19.1 47 51 A K T <5 + 0 0 134 -4,-1.0 2,-0.3 -3,-0.2 -3,-0.2 0.964 63.6 145.7 62.4 56.2 -18.9 24.9 19.1 48 52 A L < - 0 0 28 -5,-2.1 154,-0.2 -8,-0.1 -1,-0.2 -0.882 44.1-125.5-118.6 153.0 -15.7 25.9 17.2 49 53 A K E -c 202 0A 23 152,-2.6 154,-2.4 -2,-0.3 2,-0.4 -0.420 22.5-125.3 -89.5 169.5 -12.1 24.7 17.6 50 54 A V E -cd 203 174A 1 123,-2.7 125,-1.9 152,-0.2 2,-0.4 -0.986 19.0-171.0-121.5 131.6 -9.1 26.9 18.3 51 55 A L E -cd 204 175A 0 152,-2.7 154,-3.3 -2,-0.4 2,-0.5 -0.991 5.5-163.0-123.0 126.1 -5.9 27.0 16.3 52 56 A Y E -cd 205 176A 0 123,-3.0 125,-2.1 -2,-0.4 2,-0.5 -0.958 8.8-157.1-112.2 114.8 -2.9 29.0 17.6 53 57 A L E +cd 206 177A 0 152,-3.2 154,-2.1 -2,-0.5 2,-0.3 -0.838 13.6 179.7-101.4 130.1 -0.3 29.8 14.9 54 58 A V E - d 0 178A 4 123,-1.9 125,-1.7 -2,-0.5 126,-0.3 -0.887 24.5-153.1-127.2 153.2 3.2 30.6 16.0 55 59 A R S S+ 0 0 130 -2,-0.3 2,-0.3 123,-0.2 125,-0.1 0.786 77.0 27.4 -95.5 -31.1 6.3 31.4 14.0 56 60 A T S > S- 0 0 51 1,-0.1 4,-1.8 122,-0.0 -1,-0.1 -0.842 77.3-114.1-130.2 162.8 9.2 30.2 16.3 57 61 A N H > S+ 0 0 62 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.849 117.6 59.9 -71.0 -29.0 9.6 27.4 18.9 58 62 A S H > S+ 0 0 84 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.922 107.1 44.2 -59.6 -43.4 10.1 30.1 21.5 59 63 A Q H > S+ 0 0 16 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.860 113.7 54.5 -67.7 -33.9 6.6 31.6 20.7 60 64 A E H X S+ 0 0 4 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.917 108.7 45.1 -63.6 -46.8 5.4 27.9 20.7 61 65 A E H X S+ 0 0 54 -4,-3.0 4,-2.5 2,-0.2 5,-0.2 0.892 109.7 55.9 -67.7 -40.2 6.8 27.3 24.2 62 66 A Q H X S+ 0 0 94 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.952 112.6 42.1 -54.9 -48.7 5.4 30.5 25.6 63 67 A V H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.882 112.1 52.9 -68.3 -40.4 1.9 29.6 24.4 64 68 A I H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.861 107.1 53.5 -67.8 -33.3 2.2 26.0 25.6 65 69 A K H X S+ 0 0 99 -4,-2.5 4,-1.6 2,-0.2 3,-0.4 0.962 109.2 48.2 -60.6 -49.9 3.2 27.1 29.1 66 70 A E H X S+ 0 0 57 -4,-1.9 4,-1.9 1,-0.3 3,-0.2 0.921 112.1 50.0 -56.8 -45.7 0.1 29.4 29.3 67 71 A L H X S+ 0 0 0 -4,-2.4 4,-1.1 1,-0.2 -1,-0.3 0.794 103.5 59.1 -63.1 -32.6 -2.1 26.5 28.1 68 72 A R H < S+ 0 0 82 -4,-1.6 4,-0.4 -3,-0.4 -1,-0.2 0.900 106.2 49.4 -64.9 -40.0 -0.6 24.1 30.7 69 73 A S H >X S+ 0 0 70 -4,-1.6 3,-2.4 -3,-0.2 4,-1.3 0.972 105.5 53.8 -59.2 -58.9 -1.7 26.5 33.5 70 74 A L H 3X S+ 0 0 11 -4,-1.9 4,-4.0 1,-0.3 -1,-0.2 0.798 94.5 75.9 -47.0 -30.3 -5.3 26.8 32.3 71 75 A S H 3< S+ 0 0 49 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.764 98.9 41.2 -55.4 -33.4 -5.3 23.0 32.4 72 76 A S H <4 S+ 0 0 107 -3,-2.4 -1,-0.2 -4,-0.4 -2,-0.2 0.862 118.0 48.0 -76.8 -42.8 -5.6 23.0 36.2 73 77 A T H < S- 0 0 107 -4,-1.3 2,-0.3 1,-0.2 -2,-0.2 0.868 132.2 -6.9 -61.7 -42.3 -8.2 25.9 35.9 74 78 A M S < S- 0 0 75 -4,-4.0 2,-0.5 -5,-0.2 -1,-0.2 -0.953 86.4 -80.2-153.7 165.3 -10.2 24.1 33.2 75 79 A K - 0 0 185 -2,-0.3 2,-0.5 -3,-0.1 -4,-0.1 -0.635 46.6-171.9 -85.1 123.4 -10.1 21.0 31.0 76 80 A I - 0 0 15 -2,-0.5 2,-0.7 -5,-0.2 -5,-0.0 -0.966 16.8-169.0-124.7 115.1 -7.8 21.7 28.0 77 81 A R + 0 0 132 -2,-0.5 96,-2.9 2,-0.0 97,-1.8 -0.727 35.4 149.3-107.7 78.5 -7.6 19.3 25.1 78 82 A A E +e 174 0A 1 -2,-0.7 97,-0.2 63,-0.3 66,-0.1 -0.903 19.3 173.3-116.9 138.6 -4.5 20.8 23.3 79 83 A I E -e 175 0A 0 95,-1.9 97,-1.9 -2,-0.3 2,-0.2 -0.975 32.0-114.6-135.7 157.0 -1.7 19.3 21.1 80 84 A P E -e 176 0A 0 0, 0.0 2,-0.4 0, 0.0 97,-0.2 -0.572 30.6-162.6 -75.6 149.5 1.1 20.5 19.0 81 85 A M + 0 0 1 95,-2.6 2,-0.3 -2,-0.2 100,-0.1 -0.988 17.7 157.7-134.9 130.4 0.8 19.8 15.3 82 86 A Q - 0 0 27 -2,-0.4 83,-0.1 95,-0.2 95,-0.0 -0.970 37.0-103.7-141.8 158.9 3.7 19.9 12.8 83 87 A G >> - 0 0 14 -2,-0.3 4,-2.2 1,-0.1 3,-1.0 -0.075 39.2 -94.4 -78.4 179.2 4.2 18.3 9.4 84 88 A R H 3> S+ 0 0 23 1,-0.3 4,-2.5 2,-0.2 7,-0.1 0.811 115.4 73.0 -70.1 -26.9 6.3 15.3 8.4 85 89 A V H 34 S+ 0 0 50 1,-0.2 -1,-0.3 2,-0.2 17,-0.0 0.861 117.1 20.9 -53.3 -36.8 9.3 17.6 7.4 86 90 A N H <4 S+ 0 0 74 -3,-1.0 -2,-0.2 1,-0.0 -1,-0.2 0.737 133.3 39.9 -98.9 -28.8 9.9 18.2 11.1 87 91 A M H < S+ 0 0 6 -4,-2.2 75,-0.9 74,-0.1 2,-0.7 0.568 83.4 97.4-107.9 -14.6 8.1 15.2 12.7 88 92 A C < - 0 0 11 -4,-2.5 4,-0.5 -5,-0.2 72,-0.0 -0.711 48.6-173.3 -73.0 116.4 8.9 12.2 10.5 89 93 A I S S+ 0 0 4 -2,-0.7 4,-0.3 1,-0.2 -1,-0.2 0.810 72.8 61.0 -76.8 -31.5 11.8 10.4 12.2 90 94 A L S >> S+ 0 0 13 1,-0.2 4,-1.4 2,-0.1 3,-1.3 0.865 90.4 59.3 -70.4 -39.6 12.3 7.9 9.5 91 95 A Y H 3> S+ 0 0 16 1,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.827 100.6 52.6 -75.7 -35.1 13.2 9.9 6.4 92 96 A R H 34 S+ 0 0 117 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.560 110.5 55.3 -68.4 -9.8 16.4 11.8 7.6 93 97 A M H <4 S+ 0 0 108 -3,-1.3 -2,-0.2 -4,-0.3 -1,-0.2 0.833 115.4 33.3 -81.4 -44.2 17.5 8.2 8.6 94 98 A V H < S+ 0 0 76 -4,-1.4 2,-0.3 1,-0.1 -2,-0.2 0.383 128.4 25.6 -92.6 -1.3 17.1 6.7 5.1 95 99 A D < - 0 0 27 -4,-0.8 -1,-0.1 -5,-0.2 224,-0.0 -0.987 50.5-152.6-165.0 151.4 18.0 9.8 3.1 96 100 A D + 0 0 126 -2,-0.3 2,-0.1 -3,-0.1 -4,-0.1 -0.434 33.8 167.3-125.8 54.4 20.0 13.2 3.1 97 101 A L - 0 0 39 1,-0.1 -2,-0.1 2,-0.0 3,-0.1 -0.457 32.2-147.7 -71.7 144.9 18.0 15.3 0.7 98 102 A H S S+ 0 0 134 -2,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.349 84.9 32.0 -94.3 -0.9 18.7 19.1 0.7 99 103 A E S S+ 0 0 41 2,-0.0 2,-0.3 223,-0.0 -1,-0.1 -0.964 70.6 172.7-150.9 155.0 15.2 20.0 -0.2 100 104 A I - 0 0 45 -2,-0.3 2,-0.3 -3,-0.1 3,-0.0 -0.951 13.0-158.8-156.9 163.7 12.0 18.4 0.7 101 105 A N > - 0 0 56 -2,-0.3 4,-1.2 1,-0.1 -2,-0.0 -0.953 31.7-113.1-148.7 167.8 8.2 18.8 0.4 102 106 A A H > S+ 0 0 28 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.839 111.0 55.7 -72.1 -33.7 5.2 17.4 2.2 103 107 A E H > S+ 0 0 97 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.908 105.6 50.7 -70.4 -44.4 3.8 15.5 -0.8 104 108 A S H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.859 111.8 49.4 -59.3 -35.4 7.0 13.4 -1.3 105 109 A L H X S+ 0 0 1 -4,-1.2 4,-2.7 2,-0.2 -2,-0.2 0.842 106.7 54.2 -77.0 -33.8 6.9 12.6 2.4 106 110 A A H X S+ 0 0 16 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.892 111.5 46.0 -59.6 -45.2 3.2 11.5 2.3 107 111 A K H X S+ 0 0 50 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.945 114.7 47.5 -64.5 -45.8 4.1 9.1 -0.5 108 112 A F H X S+ 0 0 2 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.914 115.3 44.2 -59.5 -48.7 7.1 7.8 1.3 109 113 A C H X S+ 0 0 16 -4,-2.7 4,-2.9 2,-0.2 -1,-0.2 0.896 110.5 53.9 -62.8 -46.9 5.2 7.4 4.6 110 114 A N H X S+ 0 0 71 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.862 110.2 47.9 -59.7 -38.3 2.2 5.7 3.1 111 115 A M H X S+ 0 0 32 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.936 111.2 50.2 -67.1 -44.4 4.4 3.2 1.4 112 116 A K H X S+ 0 0 16 -4,-2.1 4,-2.2 1,-0.2 12,-0.2 0.928 110.5 50.3 -58.2 -42.7 6.3 2.5 4.7 113 117 A K H X S+ 0 0 32 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.858 107.9 52.7 -67.0 -36.6 3.0 2.0 6.5 114 118 A R H X S+ 0 0 146 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.922 109.0 50.1 -62.2 -44.1 1.8 -0.4 3.8 115 119 A E H <>S+ 0 0 62 -4,-2.3 5,-2.7 2,-0.2 -2,-0.2 0.901 111.8 47.5 -62.1 -42.0 5.0 -2.5 4.2 116 120 A V H ><5S+ 0 0 17 -4,-2.2 3,-1.9 3,-0.2 5,-0.2 0.931 111.4 50.9 -61.6 -46.6 4.5 -2.5 8.0 117 121 A M H 3<5S+ 0 0 145 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.852 105.1 57.6 -60.6 -33.9 0.9 -3.6 7.5 118 122 A A T 3<5S- 0 0 91 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.347 132.9 -90.9 -77.2 4.9 2.1 -6.3 5.2 119 123 A G T < 5S+ 0 0 61 -3,-1.9 2,-0.4 -5,-0.1 -3,-0.2 0.623 95.4 116.9 94.4 14.7 4.2 -7.7 8.0 120 124 A N > < + 0 0 80 -5,-2.7 3,-2.6 -6,-0.2 4,-0.4 -0.559 32.7 169.6-105.3 68.2 7.6 -5.9 7.6 121 125 A E T 3 S+ 0 0 145 -2,-0.4 3,-0.5 1,-0.3 6,-0.3 0.720 70.5 62.4 -51.2 -29.8 7.4 -4.0 11.0 122 126 A A T 3 S+ 0 0 76 1,-0.2 -1,-0.3 -3,-0.1 4,-0.1 0.620 79.3 84.2 -70.1 -16.7 11.1 -2.9 10.7 123 127 A A S < S+ 0 0 19 -3,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.951 119.8 1.0 -55.4 -48.3 10.3 -0.9 7.5 124 128 A C S > S- 0 0 14 -3,-0.5 3,-1.6 -4,-0.4 -1,-0.3 -0.830 72.1-173.9-137.0 104.0 9.3 1.9 9.8 125 129 A P T 3 S+ 0 0 59 0, 0.0 -3,-0.1 0, 0.0 -2,-0.1 0.556 83.3 64.9 -76.9 -7.0 9.7 0.9 13.5 126 130 A Y T 3 S+ 0 0 36 33,-0.1 34,-2.0 1,-0.1 2,-1.0 0.556 84.1 83.4 -82.9 -14.2 8.1 4.1 14.6 127 131 A F < + 0 0 35 -3,-1.6 2,-0.3 -6,-0.3 -3,-0.2 -0.788 67.4 109.4-100.6 100.0 4.8 2.9 13.0 128 132 A N S > S- 0 0 44 -2,-1.0 3,-1.9 32,-0.1 4,-0.2 -0.871 84.7 -69.0-158.4 178.5 3.2 0.7 15.6 129 133 A F G > S+ 0 0 157 1,-0.3 3,-1.9 -2,-0.3 4,-0.2 0.696 114.1 77.5 -59.5 -24.0 0.3 0.5 18.1 130 134 A K G > S+ 0 0 66 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.781 76.4 75.1 -58.6 -26.2 1.9 3.1 20.4 131 135 A I G < S+ 0 0 8 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.785 110.8 28.4 -53.7 -27.0 0.6 5.8 17.9 132 136 A R G < S+ 0 0 185 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.203 95.3 125.2-120.3 12.6 -2.8 5.1 19.4 133 137 A S <> - 0 0 23 -3,-1.3 4,-2.8 -4,-0.2 5,-0.2 -0.372 68.4-122.8 -80.0 156.0 -2.0 4.0 23.0 134 138 A D H > S+ 0 0 112 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.862 114.1 58.5 -60.6 -36.0 -3.3 5.6 26.2 135 139 A E H > S+ 0 0 135 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.939 111.0 40.9 -56.6 -48.2 0.3 6.2 27.2 136 140 A T H > S+ 0 0 2 -6,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.932 116.9 47.6 -69.0 -45.2 0.9 8.3 24.1 137 141 A K H X S+ 0 0 48 -4,-2.8 4,-2.5 1,-0.2 5,-0.3 0.862 111.5 51.5 -65.0 -38.3 -2.5 10.1 24.2 138 142 A R H X>S+ 0 0 148 -4,-2.8 4,-3.0 -5,-0.2 5,-0.8 0.896 108.5 50.5 -66.4 -42.3 -2.0 10.9 27.9 139 143 A F H X>S+ 0 0 45 -4,-1.9 4,-1.3 -5,-0.2 5,-0.9 0.945 114.7 44.3 -60.0 -51.0 1.4 12.4 27.4 140 144 A L H X5S+ 0 0 1 -4,-2.2 4,-1.4 3,-0.2 -2,-0.2 0.971 124.0 32.7 -53.7 -59.2 0.1 14.6 24.6 141 145 A F H <5S+ 0 0 31 -4,-2.5 -63,-0.3 2,-0.2 -2,-0.2 0.840 128.9 34.1 -77.4 -36.5 -3.1 15.7 26.4 142 146 A D H <5S+ 0 0 101 -4,-3.0 -3,-0.2 -5,-0.3 -1,-0.2 0.860 130.3 32.2 -84.5 -43.0 -1.9 15.8 30.0 143 147 A E H < - 0 0 0 1,-0.1 4,-2.3 -67,-0.1 5,-0.2 -0.382 39.4-104.1 -69.6 165.5 6.0 21.3 22.5 147 151 A A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.917 125.0 52.2 -61.0 -38.2 6.4 19.6 19.0 148 152 A E H > S+ 0 0 101 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.919 110.4 46.4 -60.6 -46.0 10.2 19.4 19.8 149 153 A E H > S+ 0 0 61 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.876 112.8 50.4 -66.7 -34.9 9.6 17.7 23.1 150 154 A F H X S+ 0 0 0 -4,-2.3 4,-3.3 2,-0.2 -2,-0.2 0.909 108.2 51.8 -73.4 -35.7 7.1 15.3 21.5 151 155 A Y H X S+ 0 0 43 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.950 111.4 47.7 -60.0 -49.7 9.6 14.5 18.8 152 156 A D H X S+ 0 0 74 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.898 112.5 49.8 -57.0 -42.3 12.2 13.8 21.5 153 157 A Y H X S+ 0 0 19 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.914 109.8 51.6 -60.7 -46.5 9.5 11.7 23.4 154 158 A G H <>S+ 0 0 0 -4,-3.3 5,-2.2 2,-0.2 4,-0.5 0.892 109.0 49.3 -60.2 -40.9 8.7 9.8 20.2 155 159 A E H ><5S+ 0 0 84 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.972 113.1 47.2 -61.3 -48.8 12.4 8.9 19.5 156 160 A R H 3<5S+ 0 0 142 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.867 117.8 40.7 -65.8 -34.6 12.9 7.7 23.0 157 161 A N T 3<5S- 0 0 44 -4,-2.4 -1,-0.3 2,-0.2 -2,-0.2 0.322 107.9-118.3 -96.5 11.0 9.6 5.6 23.0 158 162 A N T < 5S+ 0 0 90 -3,-1.4 2,-0.3 -4,-0.5 -3,-0.2 0.891 73.8 125.3 52.6 46.6 10.0 4.2 19.4 159 163 A V < - 0 0 0 -5,-2.2 -1,-0.2 -6,-0.1 -2,-0.2 -0.993 66.5-109.3-137.8 140.3 6.7 5.9 18.3 160 164 A C > - 0 0 13 -34,-2.0 4,-1.7 -2,-0.3 5,-0.2 -0.545 18.1-157.2 -76.4 123.3 6.2 8.3 15.4 161 165 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.906 89.6 52.4 -65.9 -40.4 5.4 11.8 16.5 162 166 A Y H > S+ 0 0 16 -75,-0.9 4,-2.3 1,-0.2 5,-0.1 0.941 113.2 41.6 -60.2 -55.3 3.6 12.8 13.3 163 167 A E H > S+ 0 0 17 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.847 114.0 53.6 -63.7 -34.7 1.2 9.9 13.2 164 168 A S H X S+ 0 0 1 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.919 109.6 47.8 -66.1 -43.6 0.6 10.2 17.0 165 169 A M H X S+ 0 0 0 -4,-2.6 4,-0.9 1,-0.2 3,-0.3 0.940 113.3 48.8 -59.3 -48.3 -0.2 13.9 16.6 166 170 A K H < S+ 0 0 29 -4,-2.3 3,-0.4 1,-0.2 -2,-0.2 0.850 109.7 51.2 -60.2 -39.3 -2.6 13.1 13.7 167 171 A A H < S+ 0 0 16 -4,-2.5 -1,-0.2 1,-0.2 4,-0.2 0.787 112.9 45.9 -70.2 -27.6 -4.3 10.3 15.7 168 172 A A H >< S+ 0 0 1 -4,-1.6 3,-0.9 -3,-0.3 -1,-0.2 0.626 92.5 85.6 -86.6 -12.9 -5.0 12.6 18.7 169 173 A L G >< S+ 0 0 1 -4,-0.9 3,-2.0 -3,-0.4 -1,-0.2 0.837 77.9 58.9 -69.5 -40.6 -6.2 15.4 16.6 170 174 A P G 3 S+ 0 0 64 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.853 111.7 46.3 -54.5 -30.1 -9.9 14.5 16.2 171 175 A D G < S+ 0 0 74 -3,-0.9 2,-0.4 -4,-0.2 -2,-0.2 0.284 93.8 97.1 -95.4 9.8 -10.0 14.7 20.1 172 176 A A < - 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