==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-NOV-11 3UG7 . COMPND 2 MOLECULE: ARSENICAL PUMP-DRIVING ATPASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR C.J.M.SULOWAY,M.E.ROME,W.M.CLEMONS JR. . 1222 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 63865.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 920 75.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 144 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 1.0 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 . 0 0.0 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 . 67 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 592 48.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.4 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 4 0 0 1 0 4 0 0 4 7 9 0 0 0 4 0 4 0 0 0 0 0 0 4 0 RESIDUES PER ALPHA HELIX . 0 0 0 8 16 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 . 0 4 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 . 0 0 0 0 0 0 4 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 10 A N > 0 0 45 0, 0.0 3,-1.1 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0 -25.1 -21.4 7.0 -17.0 2 11 A S T 3 + 0 0 70 314,-0.3 4,-0.4 1,-0.2 316,-0.1 0.669 360.0 53.8 -58.7 -23.3 -23.8 8.5 -19.6 3 12 A L T 3> S+ 0 0 0 314,-1.2 4,-2.3 1,-0.1 -1,-0.2 0.748 84.0 82.6 -82.1 -27.7 -23.0 12.2 -18.6 4 13 A R H <> S+ 0 0 36 -3,-1.1 4,-2.7 313,-0.8 5,-0.2 0.886 89.9 50.1 -49.7 -55.3 -19.2 12.3 -18.9 5 14 A G H > S+ 0 0 15 -4,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.882 109.9 50.2 -51.9 -49.1 -19.1 12.8 -22.6 6 15 A I H > S+ 0 0 37 -4,-0.4 4,-2.1 -3,-0.2 -1,-0.2 0.921 111.1 49.6 -56.8 -46.7 -21.5 15.7 -22.5 7 16 A T H >X S+ 0 0 2 -4,-2.3 4,-2.0 2,-0.2 3,-0.6 0.973 109.2 51.9 -56.0 -56.0 -19.5 17.4 -19.7 8 17 A E H 3X S+ 0 0 7 -4,-2.7 4,-1.0 1,-0.3 -1,-0.2 0.857 109.4 50.0 -47.9 -45.8 -16.3 17.0 -21.7 9 18 A K H 3X S+ 0 0 111 -4,-2.4 4,-0.8 -5,-0.2 3,-0.3 0.882 108.9 52.8 -60.8 -40.3 -17.9 18.6 -24.7 10 19 A K H << S+ 0 0 38 -4,-2.1 -2,-0.2 -3,-0.6 -1,-0.2 0.861 102.4 60.4 -64.4 -36.6 -19.0 21.5 -22.5 11 20 A L H < S+ 0 0 11 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.849 99.4 53.7 -60.6 -39.0 -15.6 22.1 -21.1 12 21 A E H < S+ 0 0 10 -4,-1.0 3,-0.3 -3,-0.3 -1,-0.2 0.921 91.9 71.0 -70.5 -50.5 -13.8 22.9 -24.4 13 22 A K S < S+ 0 0 55 -4,-0.8 3,-0.1 1,-0.2 208,-0.0 -0.213 95.6 22.0 -72.0 159.7 -15.7 25.7 -26.1 14 23 A K S S- 0 0 84 1,-0.1 -1,-0.2 4,-0.0 -2,-0.0 0.918 89.6-132.6 55.8 55.5 -15.9 29.3 -24.9 15 24 A D + 0 0 52 -3,-0.3 2,-0.3 3,-0.0 -1,-0.1 -0.069 67.9 65.3 -49.5 129.8 -12.7 29.3 -22.9 16 25 A G S S- 0 0 11 128,-0.1 2,-0.1 -3,-0.1 125,-0.1 -0.930 98.4 -11.6 148.0-165.4 -13.1 30.8 -19.5 17 26 A T - 0 0 2 -2,-0.3 2,-0.4 123,-0.2 128,-0.2 -0.432 61.5-151.5 -63.7 132.6 -15.1 29.8 -16.4 18 27 A K E -a 145 0A 5 126,-2.0 128,-3.0 125,-0.1 2,-0.4 -0.915 10.1-147.4-104.1 134.1 -17.7 27.0 -17.2 19 28 A Y E -ab 146 223A 1 203,-1.9 205,-2.3 -2,-0.4 2,-0.4 -0.839 16.3-179.1-106.6 138.7 -20.8 27.0 -15.0 20 29 A I E -ab 147 224A 8 126,-2.9 128,-2.0 -2,-0.4 2,-0.4 -0.999 6.5-178.1-129.4 131.4 -22.7 23.9 -14.0 21 30 A M E -ab 148 225A 1 203,-2.5 205,-2.7 -2,-0.4 2,-0.3 -0.965 12.2-154.3-138.9 128.9 -25.9 24.1 -11.9 22 31 A F E + b 0 226A 0 126,-1.0 2,-0.3 -2,-0.4 205,-0.2 -0.684 17.3 176.5 -94.0 145.4 -28.1 21.4 -10.4 23 32 A G E + b 0 227A 0 203,-2.0 205,-2.6 -2,-0.3 2,-0.3 -0.955 16.9 111.4-145.5 163.3 -31.8 21.9 -9.6 24 33 A G - 0 0 24 128,-0.3 205,-0.1 -2,-0.3 3,-0.1 -0.931 61.6 -44.8 155.1-178.1 -34.7 19.9 -8.4 25 34 A K S S- 0 0 78 203,-0.4 5,-0.3 -2,-0.3 4,-0.1 -0.082 75.0 -70.7 -73.2 175.5 -37.0 19.4 -5.4 26 35 A G S S+ 0 0 48 2,-0.1 2,-0.3 3,-0.1 -1,-0.2 -0.395 116.7 7.9 -65.3 149.3 -35.9 19.2 -1.7 27 36 A G S > S+ 0 0 60 1,-0.1 3,-0.9 -3,-0.1 2,-0.3 -0.655 84.6 117.2 69.3-139.5 -34.1 16.0 -1.0 28 37 A V T 3 S- 0 0 5 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.1 0.265 91.4 -99.9 68.5 -14.9 -33.7 14.5 -4.5 29 38 A G T 3> S+ 0 0 9 -2,-0.3 4,-2.4 -4,-0.1 -1,-0.2 0.780 74.6 140.2 80.8 32.6 -29.9 14.8 -4.1 30 39 A K H <> S+ 0 0 21 -3,-0.9 4,-2.0 -5,-0.3 -8,-0.1 0.840 79.2 50.6 -77.2 -32.2 -28.7 17.9 -5.9 31 40 A T H > S+ 0 0 25 -4,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.897 112.3 50.9 -63.9 -39.7 -26.2 18.9 -3.2 32 41 A T H > S+ 0 0 27 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.948 110.5 45.7 -60.4 -53.1 -25.0 15.3 -3.5 33 42 A M H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.845 112.0 54.4 -60.9 -35.5 -24.7 15.5 -7.3 34 43 A S H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.952 109.5 45.1 -62.6 -52.2 -22.9 18.8 -6.9 35 44 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.908 114.7 50.0 -57.4 -43.9 -20.3 17.4 -4.5 36 45 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.917 111.2 46.5 -62.9 -47.0 -19.8 14.4 -6.8 37 46 A T H X S+ 0 0 1 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.871 111.3 54.2 -64.4 -36.7 -19.4 16.4 -9.9 38 47 A G H X S+ 0 0 0 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.925 110.7 45.2 -60.7 -46.1 -17.0 18.7 -8.0 39 48 A V H X S+ 0 0 1 -4,-2.4 4,-1.1 2,-0.2 -2,-0.2 0.928 114.1 48.9 -63.3 -46.5 -14.9 15.7 -7.0 40 49 A Y H >X S+ 0 0 26 -4,-2.7 4,-1.1 1,-0.2 3,-0.5 0.923 113.7 44.8 -60.5 -48.0 -14.9 14.2 -10.5 41 50 A L H 3< S+ 0 0 1 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.828 112.1 53.7 -66.5 -31.8 -13.9 17.5 -12.2 42 51 A A H 3< S+ 0 0 3 -4,-1.9 4,-0.3 -5,-0.3 -1,-0.2 0.687 96.3 69.1 -74.6 -18.8 -11.3 17.9 -9.5 43 52 A E H << S+ 0 0 107 -4,-1.1 2,-0.2 -3,-0.5 -2,-0.2 0.951 96.6 54.2 -65.7 -51.4 -9.9 14.5 -10.3 44 53 A K S < S- 0 0 19 -4,-1.1 2,-0.7 1,-0.1 732,-0.1 -0.599 123.6 -88.7 -67.8 146.4 -8.7 15.7 -13.6 45 54 A G S S+ 0 0 30 -2,-0.2 2,-0.3 2,-0.1 -2,-0.1 -0.502 80.8 133.9 -65.8 113.9 -6.5 18.6 -12.8 46 55 A L - 0 0 1 -2,-0.7 2,-0.8 -4,-0.3 734,-0.0 -0.970 58.0-122.4-157.3 147.1 -9.1 21.4 -12.8 47 56 A K + 0 0 43 -2,-0.3 98,-1.7 33,-0.1 97,-1.2 -0.844 42.7 173.3-101.2 107.9 -9.8 24.3 -10.5 48 57 A V E -cd 80 145A 0 31,-1.6 33,-2.6 -2,-0.8 2,-0.4 -0.931 18.1-163.6-124.3 133.1 -13.4 23.9 -9.5 49 58 A V E -cd 81 146A 0 96,-2.2 98,-3.5 -2,-0.4 2,-0.6 -0.922 5.8-158.7-114.5 139.8 -15.6 25.7 -6.9 50 59 A I E -cd 82 147A 0 31,-2.0 33,-2.2 -2,-0.4 2,-0.4 -0.949 14.2-164.7-113.6 109.5 -18.9 24.6 -5.5 51 60 A V E -cd 83 148A 2 96,-2.3 98,-3.4 -2,-0.6 99,-0.6 -0.787 3.7-168.3 -98.8 138.8 -20.9 27.5 -4.1 52 61 A S E -c 84 0A 0 31,-3.0 33,-1.5 -2,-0.4 98,-0.1 -0.982 23.6-174.7-132.3 122.7 -23.8 26.8 -1.8 53 62 A T + 0 0 35 -2,-0.4 77,-0.1 31,-0.2 -1,-0.1 0.315 48.3 131.5 -93.4 5.5 -26.5 29.3 -0.6 54 63 A D > - 0 0 34 1,-0.2 3,-0.7 2,-0.1 31,-0.3 -0.453 44.8-164.2 -59.5 117.2 -27.8 26.6 1.6 55 64 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.2 0, 0.0 29,-0.0 0.708 91.0 65.1 -72.1 -21.6 -28.3 28.0 5.2 56 65 A A T 3 S- 0 0 67 -3,-0.0 -2,-0.1 4,-0.0 -3,-0.0 0.561 103.7-136.6 -77.6 -9.4 -28.5 24.4 6.3 57 66 A H X> + 0 0 19 -3,-0.7 4,-0.9 28,-0.1 3,-0.8 0.920 34.6 173.3 55.4 54.2 -24.9 24.0 5.3 58 67 A S H 3> S+ 0 0 36 1,-0.2 4,-2.7 2,-0.2 3,-0.5 0.855 72.2 60.9 -60.2 -39.2 -25.3 20.6 3.6 59 68 A L H 3> S+ 0 0 0 1,-0.3 4,-2.4 2,-0.2 5,-0.4 0.790 97.7 60.0 -63.0 -28.7 -21.7 20.6 2.2 60 69 A R H <> S+ 0 0 65 -3,-0.8 4,-1.7 3,-0.2 -1,-0.3 0.910 110.7 41.1 -61.2 -42.9 -20.4 20.8 5.8 61 70 A D H < S+ 0 0 96 -4,-0.9 -2,-0.2 -3,-0.5 -1,-0.2 0.925 117.7 45.5 -72.9 -46.5 -22.2 17.5 6.5 62 71 A I H < S+ 0 0 16 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.956 125.2 31.4 -62.1 -52.1 -21.3 15.8 3.2 63 72 A F H < S- 0 0 3 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.841 95.5-140.1 -74.6 -33.1 -17.6 16.8 3.2 64 73 A E < + 0 0 116 -4,-1.7 2,-0.4 -5,-0.4 -4,-0.1 0.357 69.0 107.5 82.3 -1.1 -17.4 16.8 7.1 65 74 A Q S S- 0 0 50 -6,-0.4 -1,-0.3 10,-0.0 2,-0.2 -0.878 73.1-118.3-108.6 139.9 -15.2 19.9 6.8 66 75 A E - 0 0 129 -2,-0.4 2,-0.4 -3,-0.1 -9,-0.0 -0.518 27.3-156.8 -75.2 142.1 -16.3 23.4 7.8 67 76 A F - 0 0 2 -2,-0.2 -7,-0.1 -10,-0.0 16,-0.1 -0.980 2.6-157.4-125.4 131.0 -16.4 26.1 5.1 68 77 A G - 0 0 31 -2,-0.4 16,-1.6 2,-0.3 4,-0.2 -0.192 40.6 -91.0 -88.1-173.5 -16.2 29.9 5.5 69 78 A H S S+ 0 0 66 14,-0.2 3,-0.1 2,-0.1 -1,-0.0 0.926 108.6 72.5 -66.9 -46.7 -17.4 32.6 3.1 70 79 A E S S- 0 0 124 1,-0.1 -2,-0.3 13,-0.1 14,-0.2 -0.457 109.4 -82.7 -69.4 143.6 -14.1 32.8 1.3 71 80 A P - 0 0 38 0, 0.0 2,-0.4 0, 0.0 12,-0.2 -0.201 50.9-159.7 -52.3 130.9 -13.3 29.8 -1.0 72 81 A T E -E 82 0A 41 10,-1.3 10,-1.7 -4,-0.2 2,-0.1 -0.961 17.5-121.5-121.4 129.3 -11.9 26.9 1.1 73 82 A K E -E 81 0A 103 -2,-0.4 2,-0.5 8,-0.2 8,-0.2 -0.385 34.7-141.6 -62.4 144.4 -9.9 24.0 -0.2 74 83 A V > - 0 0 0 6,-2.2 3,-1.5 3,-0.3 6,-0.2 -0.949 54.4 -18.1-124.4 126.6 -11.5 20.7 0.6 75 84 A K T 3 S- 0 0 80 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.822 118.3 -52.1 60.9 44.5 -10.2 17.3 1.7 76 85 A G T 3 S+ 0 0 77 1,-0.3 2,-0.4 -3,-0.1 -1,-0.3 0.374 99.7 136.4 76.9 -7.3 -6.5 17.5 0.7 77 86 A Y < - 0 0 36 -3,-1.5 -1,-0.3 1,-0.2 -3,-0.3 -0.624 42.1-162.9 -70.2 124.3 -7.5 18.5 -2.8 78 87 A D S S+ 0 0 125 -2,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.819 91.5 40.6 -71.9 -31.5 -5.2 21.3 -3.9 79 88 A N S S+ 0 0 42 -37,-0.2 -31,-1.6 -5,-0.1 2,-0.5 0.475 93.8 89.1 -99.2 -4.7 -7.7 22.1 -6.6 80 89 A L E +c 48 0A 1 -6,-0.2 -6,-2.2 -33,-0.2 2,-0.3 -0.856 49.5 176.8-107.9 126.3 -11.2 21.7 -5.1 81 90 A Y E -cE 49 73A 33 -33,-2.6 -31,-2.0 -2,-0.5 2,-0.4 -0.897 12.9-164.5-126.3 149.2 -12.9 24.6 -3.4 82 91 A V E -cE 50 72A 0 -10,-1.7 -10,-1.3 -2,-0.3 2,-0.6 -0.996 7.2-154.5-136.2 132.4 -16.3 25.2 -1.7 83 92 A V E -c 51 0A 0 -33,-2.2 -31,-3.0 -2,-0.4 2,-0.4 -0.917 9.3-167.7-109.0 115.0 -18.0 28.5 -0.8 84 93 A E E -c 52 0A 3 -16,-1.6 2,-0.6 -2,-0.6 -31,-0.2 -0.830 14.9-138.5 -98.0 138.2 -20.6 28.5 2.0 85 94 A I + 0 0 12 -33,-1.5 -28,-0.1 -2,-0.4 45,-0.1 -0.868 25.1 170.6-102.3 117.1 -22.8 31.5 2.5 86 95 A D > - 0 0 43 -2,-0.6 4,-1.5 1,-0.1 5,-0.1 -0.943 8.3-176.0-117.7 109.0 -23.5 32.9 5.9 87 96 A P H > S+ 0 0 26 0, 0.0 4,-2.6 0, 0.0 -1,-0.1 0.820 82.6 56.4 -68.1 -32.5 -25.3 36.3 5.7 88 97 A Q H > S+ 0 0 131 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.945 106.6 45.7 -66.9 -52.3 -25.3 36.7 9.4 89 98 A K H > S+ 0 0 98 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.926 113.9 50.5 -54.7 -47.6 -21.5 36.4 10.0 90 99 A A H >X S+ 0 0 22 -4,-1.5 4,-2.4 1,-0.2 3,-0.6 0.977 107.8 54.6 -51.5 -57.5 -20.9 38.7 7.1 91 100 A M H 3X S+ 0 0 9 -4,-2.6 4,-1.7 1,-0.3 -1,-0.2 0.794 105.3 51.4 -46.7 -42.4 -23.4 41.1 8.7 92 101 A E H 3X S+ 0 0 90 -4,-2.1 4,-2.2 2,-0.2 -1,-0.3 0.919 110.1 50.2 -64.3 -43.1 -21.4 41.1 12.0 93 102 A E H < S+ 0 0 64 -4,-2.2 3,-0.7 1,-0.2 -1,-0.2 0.913 110.0 43.5 -57.4 -43.1 -15.1 51.8 12.9 101 110 A Q H >< S+ 0 0 64 -4,-1.2 3,-0.5 -3,-0.3 -2,-0.2 0.834 106.9 59.9 -71.6 -32.4 -16.3 54.6 10.6 102 111 A I G >< + 0 0 15 -4,-2.1 3,-0.8 1,-0.2 7,-0.3 0.404 67.7 109.4 -84.1 4.1 -18.9 56.1 12.9 103 112 A E G < S+ 0 0 159 -3,-0.7 -1,-0.2 -4,-0.4 -2,-0.1 0.833 75.0 55.9 -49.6 -43.6 -16.5 57.0 15.8 104 113 A E G < S+ 0 0 109 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.920 120.9 32.1 -55.3 -45.4 -16.7 60.8 15.3 105 114 A N <> + 0 0 66 -3,-0.8 4,-1.5 -4,-0.2 -1,-0.2 -0.904 57.6 176.7-120.9 109.9 -20.5 60.4 15.6 106 115 A P H > S+ 0 0 73 0, 0.0 4,-3.3 0, 0.0 5,-0.3 0.894 84.3 54.0 -71.0 -38.2 -22.3 57.8 17.9 107 116 A F H > S+ 0 0 149 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.919 111.8 43.5 -66.1 -45.1 -25.8 58.9 17.2 108 117 A L H > S+ 0 0 32 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.917 118.1 48.4 -61.8 -42.2 -25.5 58.7 13.4 109 118 A G H X S+ 0 0 0 -4,-1.5 4,-2.7 -7,-0.3 -2,-0.2 0.886 108.0 49.3 -69.7 -44.6 -23.7 55.4 13.9 110 119 A E H X S+ 0 0 110 -4,-3.3 4,-1.8 2,-0.2 -1,-0.2 0.868 114.0 50.5 -62.3 -35.3 -26.1 53.7 16.3 111 120 A M H X S+ 0 0 90 -4,-1.6 4,-2.5 -5,-0.3 -2,-0.2 0.957 111.6 44.7 -65.5 -53.9 -28.9 54.7 13.9 112 121 A L H X S+ 0 0 4 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.908 113.2 51.6 -58.6 -43.9 -27.2 53.3 10.7 113 122 A E H X S+ 0 0 29 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.867 108.9 51.8 -60.3 -38.5 -26.3 50.1 12.6 114 123 A D H X S+ 0 0 85 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.935 107.9 51.1 -62.1 -47.1 -29.9 49.8 13.6 115 124 A Q H X S+ 0 0 87 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.870 112.1 47.7 -57.2 -40.2 -31.0 50.2 10.0 116 125 A L H X S+ 0 0 1 -4,-2.2 4,-3.0 2,-0.2 5,-0.3 0.908 107.8 53.9 -67.3 -45.8 -28.6 47.4 9.1 117 126 A E H X S+ 0 0 70 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.940 111.5 46.5 -54.1 -47.2 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A K S < S- 0 0 56 -3,-2.6 2,-0.3 -6,-0.0 -37,-0.1 -0.789 99.2 -93.5-113.3 155.6 -32.9 15.1 -22.9 293 308 A V E -g 255 0A 53 -39,-1.0 -37,-2.9 -2,-0.3 2,-0.5 -0.530 44.4-155.0 -64.2 127.7 -29.9 13.0 -21.9 294 309 A I E -g 256 0A 26 -2,-0.3 2,-0.3 -39,-0.2 -37,-0.2 -0.937 9.8-168.3-113.7 129.5 -31.0 10.9 -18.9 295 310 A A E -g 257 0A 0 -39,-3.0 -37,-3.2 -2,-0.5 2,-0.4 -0.837 9.5-145.5-113.3 153.1 -28.5 9.5 -16.3 296 311 A Y E +g 258 0A 89 -2,-0.3 -37,-0.2 20,-0.2 -294,-0.1 -0.970 14.9 179.7-125.2 130.0 -29.3 7.0 -13.6 297 312 A V E - 0 0 1 -39,-2.7 -36,-2.6 -2,-0.4 16,-0.0 -0.986 23.7-132.8-124.0 138.3 -27.9 6.7 -10.1 298 313 A P E -g 261 0A 43 0, 0.0 -38,-0.7 0, 0.0 2,-0.7 -0.277 27.4 -95.3 -86.2 175.8 -29.0 3.9 -7.8 299 314 A L - 0 0 84 -38,-4.4 2,-0.1 -39,-0.4 4,-0.1 -0.814 50.2-129.5 -86.5 117.1 -30.0 4.0 -4.2 300 315 A L - 0 0 29 -2,-0.7 4,-0.1 1,-0.1 -1,-0.0 -0.386 5.8-135.6 -75.3 143.5 -26.8 3.3 -2.3 301 316 A R S S+ 0 0 228 -2,-0.1 2,-0.2 2,-0.1 -1,-0.1 0.939 97.8 53.7 -55.5 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1176 280 D D + 0 0 104 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.777 61.7 131.7 -92.8 104.6 -27.5 133.2 -2.4 1177 281 D V + 0 0 19 -2,-1.0 3,-0.0 1,-0.1 -4,-0.0 -0.985 24.2 172.4-151.7 148.1 -30.7 133.1 -0.4 1178 282 D Q + 0 0 138 -2,-0.3 -1,-0.1 1,-0.0 5,-0.1 0.762 45.8 85.8-128.0 -61.5 -32.7 135.9 1.2 1179 283 D C S > S- 0 0 81 1,-0.1 4,-1.2 4,-0.1 3,-0.5 -0.232 82.8-111.6 -57.9 145.8 -36.1 135.2 2.7 1180 284 D D H > S+ 0 0 132 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.707 108.7 68.3 -52.3 -29.9 -36.0 134.0 6.3 1181 285 D F H > S+ 0 0 150 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.980 107.1 34.1 -55.2 -66.3 -37.2 130.5 5.4 1182 286 D C H > S+ 0 0 26 -3,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.664 112.5 66.1 -66.8 -17.3 -34.2 129.3 3.5 1183 287 D R H X S+ 0 0 107 -4,-1.2 4,-1.9 2,-0.2 -2,-0.2 0.979 108.1 37.5 -62.2 -56.8 -32.1 131.4 5.9 1184 288 D A H X S+ 0 0 57 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.943 117.3 51.5 -58.3 -51.3 -33.2 129.1 8.8 1185 289 D R H X S+ 0 0 92 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.882 112.1 45.9 -56.8 -40.8 -33.0 125.9 6.6 1186 290 D R H X S+ 0 0 59 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.796 107.5 57.6 -76.0 -28.3 -29.5 126.7 5.4 1187 291 D E H >X S+ 0 0 132 -4,-1.9 4,-2.3 2,-0.2 3,-0.5 0.968 109.9 45.2 -57.5 -53.8 -28.4 127.6 9.0 1188 292 D L H 3X S+ 0 0 92 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.910 110.0 54.4 -54.2 -46.0 -29.4 124.0 9.9 1189 293 D Q H 3X S+ 0 0 11 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.800 107.3 51.6 -60.9 -29.5 -27.7 122.7 6.8 1190 294 D L H < S+ 0 0 3 -4,-2.6 3,-2.1 -5,-0.3 -1,-0.2 0.336 87.4 110.1 -96.5 4.6 -16.9 111.9 7.4 1201 305 D G T 3 + 0 0 41 -5,-0.4 -1,-0.2 -3,-0.3 -2,-0.1 0.718 64.6 70.6 -54.1 -26.6 -14.0 114.4 7.3 1202 306 D D T 3 S+ 0 0 107 -3,-0.4 -1,-0.3 -4,-0.3 2,-0.3 0.519 100.3 53.6 -72.8 -4.7 -11.4 111.6 6.9 1203 307 D K S < S- 0 0 95 -3,-2.1 -37,-0.1 1,-0.0 2,-0.1 -0.846 103.1 -76.7-125.8 164.8 -12.7 111.0 3.3 1204 308 D V E -b 1166 0D 99 -39,-1.0 -37,-2.9 -2,-0.3 2,-0.5 -0.385 45.0-158.7 -60.8 128.3 -13.2 113.2 0.2 1205 309 D I E -b 1167 0D 36 -39,-0.2 2,-0.3 -2,-0.1 -37,-0.2 -0.953 7.1-169.8-113.6 129.3 -16.4 115.3 0.5 1206 310 D A E -b 1168 0D 26 -39,-2.9 -37,-3.0 -2,-0.5 2,-0.4 -0.850 10.4-143.9-114.2 153.5 -18.1 116.7 -2.6 1207 311 D Y E -b 1169 0D 92 -2,-0.3 -37,-0.2 20,-0.2 -39,-0.0 -0.963 15.1-179.3-125.2 131.6 -20.9 119.2 -2.7 1208 312 D V E - 0 0 2 -39,-2.7 -36,-2.5 -2,-0.4 16,-0.0 -0.984 23.1-132.3-124.4 138.4 -24.0 119.5 -4.9 1209 313 D P E -b 1172 0D 42 0, 0.0 2,-0.7 0, 0.0 -38,-0.7 -0.288 27.7 -96.3 -85.6 175.4 -26.5 122.3 -4.6 1210 314 D L - 0 0 82 -38,-4.6 2,-0.1 -39,-0.4 4,-0.1 -0.813 49.7-129.5 -86.7 116.2 -30.3 122.1 -4.6 1211 315 D L - 0 0 29 -2,-0.7 4,-0.1 1,-0.1 9,-0.0 -0.392 5.3-136.3 -74.8 141.7 -31.2 122.8 -8.2 1212 316 D R S S+ 0 0 228 -2,-0.1 2,-0.2 2,-0.1 -1,-0.1 0.946 97.4 54.7 -54.5 -49.8 -33.8 125.5 -9.0 1213 317 D T S S- 0 0 78 1,-0.1 2,-0.1 -3,-0.0 -2,-0.1 -0.516 103.3-104.0 -79.2 151.2 -35.1 123.0 -11.5 1214 318 D E - 0 0 148 -2,-0.2 2,-1.0 1,-0.1 3,-0.3 -0.495 45.5-106.6 -64.2 148.1 -36.1 119.5 -10.5 1215 319 D A S S+ 0 0 29 1,-0.2 -1,-0.1 -2,-0.1 3,-0.1 -0.712 80.8 108.1 -90.6 106.2 -33.4 117.2 -11.6 1216 320 D K + 0 0 71 -2,-1.0 -1,-0.2 1,-0.1 5,-0.0 0.515 49.2 73.3-135.2 -68.1 -34.8 115.3 -14.6 1217 321 D G S > S- 0 0 25 -3,-0.3 4,-1.8 1,-0.1 -1,-0.1 -0.016 82.2-110.9 -63.1 162.6 -33.5 116.2 -18.0 1218 322 D I H > S+ 0 0 40 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.748 117.5 62.1 -64.9 -24.0 -30.2 115.2 -19.5 1219 323 D E H > S+ 0 0 136 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.955 105.5 42.8 -66.4 -50.4 -29.3 118.9 -19.3 1220 324 D T H > S+ 0 0 18 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.849 113.5 57.0 -60.6 -33.7 -29.6 119.0 -15.5 1221 325 D L H X S+ 0 0 1 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.929 108.0 43.0 -62.9 -49.3 -27.8 115.7 -15.6 1222 326 D K H X S+ 0 0 68 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.836 112.1 57.2 -66.6 -33.1 -24.7 117.1 -17.4 1223 327 D Q H X S+ 0 0 96 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.974 109.2 42.7 -58.9 -56.2 -25.0 120.1 -15.1 1224 328 D I H X S+ 0 0 4 -4,-2.7 4,-2.2 2,-0.2 5,-0.2 0.866 110.3 60.7 -58.3 -37.7 -24.7 118.0 -12.0 1225 329 D A H >X S+ 0 0 7 -4,-2.2 4,-1.5 1,-0.2 3,-0.5 0.970 108.2 40.5 -51.3 -61.6 -22.0 116.1 -13.9 1226 330 D K H 3< S+ 0 0 175 -4,-2.7 -1,-0.2 3,-0.3 -2,-0.2 0.833 110.1 61.0 -59.3 -32.4 -19.8 119.1 -14.2 1227 331 D I H 3< S+ 0 0 63 -4,-2.2 -1,-0.2 1,-0.2 -20,-0.2 0.886 112.8 36.5 -62.4 -37.9 -20.7 120.1 -10.6 1228 332 D L H << 0 0 29 -4,-2.2 -1,-0.2 -3,-0.5 -2,-0.2 0.651 360.0 360.0 -84.9 -16.7 -19.1 116.9 -9.4 1229 333 D Y < 0 0 102 -4,-1.5 -3,-0.3 -5,-0.2 -2,-0.2 0.429 360.0 360.0-143.0 360.0 -16.3 117.0 -11.9