==== 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 CHAPERONE 28-AUG-07 2R31 . COMPND 2 MOLECULE: ATP12 ATPASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PARACOCCUS DENITRIFICANS; . AUTHOR A.V.LUDLAM,J.S.BRUNZELLE,D.L.GATTI,S.H.ACKERMAN . 236 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12665.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 6.8 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 7 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 46.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.1 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 1 0 0 0 2 0 2 1 3 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 1 0 0 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 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 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 3 A H 0 0 217 0, 0.0 4,-0.2 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -21.6 34.4 -7.2 -40.3 2 4 A M > + 0 0 78 1,-0.1 4,-2.2 2,-0.1 5,-0.2 0.327 360.0 105.8-105.7 5.9 34.9 -9.7 -37.5 3 5 A S H > S+ 0 0 86 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.918 85.5 44.7 -58.7 -43.6 32.6 -8.1 -34.9 4 6 A E H 4 S+ 0 0 149 1,-0.2 3,-0.3 2,-0.2 -1,-0.2 0.901 109.1 57.7 -68.0 -34.5 29.9 -10.7 -35.5 5 7 A W H >4 S+ 0 0 140 1,-0.2 3,-1.6 -4,-0.2 -1,-0.2 0.883 105.3 50.2 -58.7 -41.2 32.5 -13.5 -35.4 6 8 A K H 3< S+ 0 0 136 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.837 111.0 49.7 -67.8 -29.5 33.5 -12.4 -32.0 7 9 A A T 3< S+ 0 0 31 -4,-1.2 55,-2.6 -3,-0.3 -1,-0.3 0.191 89.9 120.1 -90.1 11.3 29.9 -12.4 -30.9 8 10 A R B < S-A 61 0A 87 -3,-1.6 2,-1.5 53,-0.2 53,-0.2 -0.234 81.0 -95.7 -73.7 169.1 29.3 -16.0 -32.3 9 11 A R + 0 0 59 51,-0.8 -1,-0.1 50,-0.3 -2,-0.1 -0.621 52.5 164.8 -81.6 94.0 28.3 -19.0 -30.3 10 12 A F + 0 0 114 -2,-1.5 2,-0.3 -4,-0.1 -1,-0.2 0.388 50.5 79.7 -93.2 1.9 31.8 -20.3 -29.7 11 13 A W - 0 0 8 1,-0.1 3,-0.1 -3,-0.1 16,-0.0 -0.872 56.0-163.9-111.8 152.5 30.6 -22.7 -26.9 12 14 A A S S+ 0 0 76 -2,-0.3 2,-0.2 1,-0.1 -1,-0.1 0.909 71.3 40.0 -92.6 -52.3 28.9 -26.1 -27.1 13 15 A S - 0 0 47 2,-0.0 15,-2.6 0, 0.0 2,-0.4 -0.663 56.1-165.7-110.6 153.6 27.5 -26.6 -23.6 14 16 A V E +B 27 0B 35 -2,-0.2 2,-0.3 13,-0.2 13,-0.2 -0.997 23.3 142.4-133.8 138.5 25.8 -24.5 -21.0 15 17 A G E -B 26 0B 31 11,-2.0 11,-2.9 -2,-0.4 2,-0.3 -0.861 35.3-117.9-155.8-171.8 25.3 -25.3 -17.3 16 18 A I E -B 25 0B 38 -2,-0.3 2,-0.3 9,-0.3 9,-0.2 -0.924 19.4-177.4-134.8 161.8 25.3 -23.8 -13.8 17 19 A H E -B 24 0B 96 7,-1.9 7,-3.1 -2,-0.3 2,-0.6 -0.940 27.8-119.3-160.3 137.4 27.2 -24.3 -10.6 18 20 A K E -B 23 0B 101 -2,-0.3 5,-0.3 5,-0.2 2,-0.2 -0.694 32.6-179.4 -86.4 121.0 27.0 -22.8 -7.1 19 21 A E E > -B 22 0B 78 3,-2.7 3,-1.5 -2,-0.6 -2,-0.0 -0.598 46.3 -95.3-103.6 171.3 30.2 -20.9 -5.9 20 22 A E T 3 S+ 0 0 195 1,-0.3 3,-0.1 -2,-0.2 -1,-0.0 0.896 126.0 47.7 -58.0 -38.6 30.7 -19.1 -2.6 21 23 A G T 3 S- 0 0 65 1,-0.3 -1,-0.3 0, 0.0 2,-0.3 0.516 128.1 -75.3 -82.4 -3.1 29.6 -15.8 -4.1 22 24 A G E < S-B 19 0B 6 -3,-1.5 -3,-2.7 19,-0.1 -1,-0.3 -0.841 72.8 -29.7 137.4-176.2 26.6 -17.2 -5.8 23 25 A W E -BC 18 42B 56 19,-2.8 19,-2.3 -2,-0.3 2,-0.3 -0.558 53.1-154.0 -75.2 138.1 25.5 -19.2 -8.8 24 26 A A E -B 17 0B 0 -7,-3.1 -7,-1.9 -2,-0.3 2,-0.5 -0.798 9.8-136.9-105.6 151.6 27.7 -19.2 -11.9 25 27 A V E -B 16 0B 0 15,-0.4 7,-3.3 -2,-0.3 2,-0.5 -0.963 24.1-148.1-108.3 124.8 26.6 -19.8 -15.5 26 28 A L E -BD 15 31B 20 -11,-2.9 -11,-2.0 -2,-0.5 2,-0.6 -0.852 15.0-166.5-105.4 127.5 29.1 -22.0 -17.3 27 29 A L E > S-BD 14 30B 17 3,-2.7 3,-1.5 -2,-0.5 -13,-0.2 -0.958 90.4 -20.2-106.5 111.7 29.9 -21.9 -21.1 28 30 A D T 3 S- 0 0 72 -15,-2.6 -1,-0.2 -2,-0.6 -14,-0.1 0.915 131.9 -49.9 43.4 51.8 31.8 -25.0 -21.8 29 31 A E T 3 S+ 0 0 148 1,-0.2 -1,-0.3 -3,-0.1 -15,-0.1 0.446 117.0 112.5 73.9 9.8 32.7 -25.3 -18.1 30 32 A R E < S-D 27 0B 178 -3,-1.5 -3,-2.7 -6,-0.0 -1,-0.2 -0.935 71.3-113.2-114.0 125.8 33.9 -21.7 -17.8 31 33 A P E -D 26 0B 42 0, 0.0 -5,-0.2 0, 0.0 -15,-0.1 -0.293 30.8-118.6 -59.7 131.5 32.0 -19.1 -15.7 32 34 A L - 0 0 18 -7,-3.3 8,-1.2 8,-0.1 2,-0.3 -0.370 30.1-156.2 -57.4 140.8 30.4 -16.3 -17.7 33 35 A R B -E 39 0C 135 6,-0.2 41,-0.1 1,-0.1 -1,-0.0 -0.766 21.6-100.1-114.9 164.9 31.7 -12.8 -16.8 34 36 A T > - 0 0 5 4,-2.8 3,-2.6 -2,-0.3 -1,-0.1 -0.330 44.8 -97.2 -72.7 169.0 30.1 -9.4 -17.1 35 37 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.841 129.4 53.8 -59.1 -30.7 31.1 -7.2 -20.1 36 38 A G T 3 S- 0 0 47 38,-0.1 -2,-0.0 2,-0.0 38,-0.0 0.198 123.9-108.4 -82.6 9.0 33.5 -5.4 -17.8 37 39 A K S < S+ 0 0 155 -3,-2.6 3,-0.0 1,-0.2 -1,-0.0 0.655 70.5 145.5 73.2 20.3 35.0 -8.8 -16.9 38 40 A Q - 0 0 80 1,-0.1 -4,-2.8 36,-0.0 -1,-0.2 -0.591 62.4 -91.2 -81.9 146.8 33.5 -8.9 -13.3 39 41 A P B -E 33 0C 60 0, 0.0 2,-0.8 0, 0.0 -6,-0.2 -0.412 34.8-135.4 -58.4 132.0 32.5 -12.3 -12.1 40 42 A L + 0 0 0 -8,-1.2 2,-0.4 -2,-0.1 -15,-0.4 -0.844 36.4 166.9 -87.3 107.6 28.8 -13.0 -12.9 41 43 A R - 0 0 61 -2,-0.8 -17,-0.2 32,-0.1 -19,-0.1 -0.997 17.5-156.5-127.6 131.4 27.5 -14.5 -9.6 42 44 A L B -C 23 0B 2 -19,-2.3 -19,-2.8 -2,-0.4 6,-0.0 -0.819 18.7-134.9-117.4 149.8 23.7 -14.8 -9.1 43 45 A P S S+ 0 0 61 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.684 82.5 36.4 -77.8 -20.3 21.6 -15.0 -5.9 44 46 A T > - 0 0 20 1,-0.1 4,-2.0 -21,-0.1 5,-0.1 -0.971 66.2-131.2-136.8 152.9 19.3 -17.9 -6.9 45 47 A E H > S+ 0 0 104 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.888 109.6 59.4 -62.5 -40.9 19.2 -21.2 -8.8 46 48 A A H > S+ 0 0 47 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.916 107.5 44.0 -61.6 -43.5 16.1 -20.0 -10.6 47 49 A L H > S+ 0 0 0 187,-0.7 4,-2.6 2,-0.2 5,-0.2 0.920 113.2 51.9 -67.5 -40.9 17.8 -16.9 -12.1 48 50 A A H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.926 110.3 48.3 -59.3 -45.2 20.9 -19.0 -13.0 49 51 A L H X S+ 0 0 81 -4,-3.0 4,-2.1 2,-0.2 -1,-0.2 0.908 112.8 48.3 -61.1 -41.9 18.8 -21.6 -14.8 50 52 A A H X S+ 0 0 17 -4,-1.9 4,-1.3 -5,-0.3 -2,-0.2 0.874 112.7 47.1 -70.2 -37.0 16.9 -18.8 -16.7 51 53 A I H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 3,-0.3 0.917 109.2 55.2 -68.3 -42.8 20.2 -17.1 -17.7 52 54 A A H X S+ 0 0 6 -4,-2.8 4,-2.6 -5,-0.2 5,-0.2 0.912 104.2 54.9 -55.3 -41.4 21.6 -20.4 -18.8 53 55 A E H X S+ 0 0 125 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.875 104.6 53.9 -61.1 -36.6 18.6 -20.8 -21.0 54 56 A E H < S+ 0 0 18 -4,-1.3 4,-0.4 -3,-0.3 -1,-0.2 0.934 112.3 43.0 -60.1 -45.5 19.4 -17.5 -22.7 55 57 A W H >< S+ 0 0 23 -4,-2.0 3,-0.7 1,-0.2 -2,-0.2 0.858 112.5 53.0 -74.2 -29.8 22.9 -18.6 -23.4 56 58 A Q H 3< S+ 0 0 81 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.816 105.2 57.4 -69.3 -29.5 21.7 -22.1 -24.6 57 59 A A T 3< S+ 0 0 63 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.564 76.1 117.6 -80.9 -9.1 19.3 -20.3 -27.0 58 60 A V < - 0 0 9 -3,-0.7 4,-0.1 -4,-0.4 -3,-0.0 -0.436 42.1-175.2 -62.0 129.5 22.0 -18.4 -28.8 59 61 A Q - 0 0 137 2,-0.5 -50,-0.3 -2,-0.2 -1,-0.1 0.659 64.7 -29.4 -93.5-101.6 22.0 -19.4 -32.5 60 62 A E S S+ 0 0 155 1,-0.2 -51,-0.8 -52,-0.1 2,-0.3 0.811 129.4 20.0 -93.3 -32.6 24.8 -17.9 -34.7 61 63 A V B S-A 8 0A 58 -53,-0.2 -2,-0.5 -52,-0.0 -1,-0.2 -0.996 86.3 -97.5-144.1 144.3 25.3 -14.6 -32.9 62 64 A I - 0 0 51 -55,-2.6 -55,-0.1 -2,-0.3 -7,-0.1 -0.443 34.1-165.3 -62.9 126.9 24.5 -13.2 -29.5 63 65 A D > - 0 0 79 -2,-0.2 3,-1.6 1,-0.1 4,-0.3 -0.926 7.6-161.6-118.4 99.8 21.3 -11.2 -29.5 64 66 A P G > S+ 0 0 73 0, 0.0 3,-1.8 0, 0.0 7,-0.2 0.808 88.1 60.7 -62.5 -28.5 20.9 -9.0 -26.4 65 67 A N G 3 S+ 0 0 123 1,-0.3 6,-0.0 2,-0.1 0, 0.0 0.795 104.2 52.7 -68.6 -22.3 17.1 -8.4 -26.7 66 68 A A G < S+ 0 0 65 -3,-1.6 -1,-0.3 1,-0.2 3,-0.1 0.515 106.9 56.7 -83.4 -4.6 16.8 -12.2 -26.4 67 69 A M <> + 0 0 9 -3,-1.8 4,-2.0 -4,-0.3 -1,-0.2 -0.518 58.6 145.6-127.1 56.7 18.9 -12.0 -23.2 68 70 A P H > S+ 0 0 23 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.829 73.8 52.5 -66.9 -30.6 17.1 -9.6 -20.9 69 71 A L H > S+ 0 0 14 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.888 108.0 50.4 -74.3 -39.9 18.0 -11.4 -17.7 70 72 A T H > S+ 0 0 9 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.928 109.9 52.3 -57.9 -44.2 21.7 -11.3 -18.5 71 73 A R H X S+ 0 0 109 -4,-2.0 4,-1.7 -7,-0.2 -2,-0.2 0.904 111.7 45.5 -59.4 -44.6 21.3 -7.6 -19.2 72 74 A S H X S+ 0 0 25 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.892 112.8 49.9 -66.8 -40.8 19.7 -7.1 -15.8 73 75 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.906 107.6 53.8 -66.0 -40.0 22.3 -9.2 -14.0 74 76 A N H X S+ 0 0 27 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.917 111.6 46.4 -58.4 -43.7 25.1 -7.3 -15.6 75 77 A S H X>S+ 0 0 23 -4,-1.7 5,-2.5 -5,-0.2 4,-2.3 0.917 109.8 53.6 -65.9 -41.2 23.5 -4.1 -14.3 76 78 A A H <>S+ 0 0 0 -4,-2.5 5,-2.9 3,-0.2 -2,-0.2 0.941 117.8 36.3 -56.3 -47.5 23.0 -5.5 -10.9 77 79 A I H <5S+ 0 0 26 -4,-2.4 -2,-0.2 3,-0.2 -1,-0.2 0.929 127.1 33.7 -75.2 -45.8 26.7 -6.5 -10.6 78 80 A E H <5S+ 0 0 57 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.790 135.1 11.6 -84.5 -30.6 28.4 -3.6 -12.4 79 81 A K T X5S+ 0 0 115 -4,-2.3 4,-0.9 -5,-0.3 -3,-0.2 0.775 124.0 38.9-116.6 -56.0 26.0 -0.7 -11.5 80 82 A V T >44 + 0 0 39 -3,-1.4 4,-3.1 1,-0.3 5,-0.3 0.885 69.0 49.3 -58.0 -46.7 23.5 0.4 -3.8 85 87 A D H > S+ 0 0 138 1,-0.2 4,-1.9 -4,-0.2 -1,-0.3 0.913 115.2 43.7 -63.1 -43.5 23.2 3.2 -1.2 86 88 A A H > S+ 0 0 63 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.922 115.2 47.8 -64.4 -45.7 23.0 5.9 -3.9 87 89 A V H X S+ 0 0 22 -4,-2.7 4,-2.7 -7,-0.2 5,-0.3 0.918 111.0 51.8 -64.7 -41.8 20.5 4.0 -6.1 88 90 A A H X S+ 0 0 5 -4,-3.1 4,-2.5 -5,-0.3 -1,-0.2 0.910 111.3 46.8 -60.8 -42.3 18.3 3.2 -3.1 89 91 A A H X S+ 0 0 26 -4,-1.9 4,-2.0 -5,-0.3 -1,-0.2 0.926 112.1 51.2 -65.8 -41.8 18.2 6.8 -2.1 90 92 A M H X S+ 0 0 70 -4,-2.4 4,-0.5 2,-0.2 -2,-0.2 0.923 113.8 42.7 -62.3 -45.1 17.4 7.9 -5.6 91 93 A L H >< S+ 0 0 0 -4,-2.7 3,-1.5 1,-0.2 4,-0.3 0.923 112.9 53.0 -68.9 -41.8 14.6 5.4 -6.0 92 94 A G H >< S+ 0 0 2 -4,-2.5 3,-1.9 -5,-0.3 -1,-0.2 0.845 99.0 65.7 -60.6 -33.3 13.2 6.2 -2.5 93 95 A D H >< S+ 0 0 82 -4,-2.0 3,-2.0 1,-0.3 4,-0.3 0.707 79.8 78.9 -65.5 -17.5 13.2 9.9 -3.5 94 96 A Y G X< S+ 0 0 61 -3,-1.5 3,-1.4 -4,-0.5 83,-0.4 0.738 76.1 77.3 -64.2 -16.1 10.5 9.2 -6.1 95 97 A G G < S+ 0 0 0 -3,-1.9 3,-0.4 -4,-0.3 -1,-0.3 0.781 96.3 45.7 -56.7 -27.4 8.1 9.2 -3.1 96 98 A G G < S+ 0 0 24 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.472 121.4 37.3 -92.1 -4.8 8.4 13.0 -3.1 97 99 A T S < S+ 0 0 88 -3,-1.4 2,-0.4 -4,-0.3 -1,-0.2 -0.402 84.0 158.9-139.0 47.7 7.9 13.1 -6.9 98 100 A D >> - 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0 0 65 -2,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.352 38.2-100.7 -79.2 164.7 18.6 -6.9 -1.7 161 163 A P H > S+ 0 0 52 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.901 121.5 45.8 -63.3 -38.5 20.8 -5.7 -4.6 162 164 A F H > S+ 0 0 22 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.885 113.4 51.7 -72.1 -32.5 19.2 -7.8 -7.3 163 165 A G H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.897 108.3 50.5 -66.4 -40.1 15.8 -6.8 -6.0 164 166 A L H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.887 108.0 54.2 -62.4 -38.6 16.7 -3.1 -6.1 165 167 A T H X S+ 0 0 12 -4,-1.9 4,-0.6 -5,-0.2 -2,-0.2 0.929 109.7 46.9 -59.3 -46.9 17.9 -3.7 -9.7 166 168 A A H X S+ 0 0 2 -4,-2.1 4,-0.8 1,-0.2 3,-0.3 0.902 110.6 52.7 -61.7 -43.7 14.5 -5.1 -10.6 167 169 A L H X S+ 0 0 0 -4,-2.4 4,-1.3 1,-0.2 3,-0.4 0.855 91.6 80.8 -58.2 -37.9 12.6 -2.3 -8.8 168 170 A H H >X S+ 0 0 54 -4,-1.7 4,-2.9 1,-0.3 3,-1.1 0.860 98.0 32.8 -43.5 -63.3 14.6 0.4 -10.7 169 171 A D H 3X S+ 0 0 55 -4,-0.6 4,-1.8 -3,-0.3 -1,-0.3 0.781 110.6 65.5 -71.5 -25.7 12.7 0.5 -14.1 170 172 A L H 3< S+ 0 0 1 -4,-0.8 -1,-0.3 -3,-0.4 6,-0.2 0.736 115.5 32.4 -63.8 -21.2 9.4 -0.3 -12.3 171 173 A V H S+ 0 0 0 -4,-1.3 4,-1.5 -3,-1.1 5,-1.5 0.824 122.1 43.7 -94.0 -53.8 9.8 3.1 -10.7 172 174 A T H <5S+ 0 0 34 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.850 108.3 54.2 -72.5 -34.4 11.6 5.2 -13.3 173 175 A L T <5S+ 0 0 67 -4,-1.8 -1,-0.2 -5,-0.2 -3,-0.1 0.981 122.2 28.1 -71.4 -48.7 9.7 4.3 -16.4 174 176 A P T 45S- 0 0 10 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.723 107.1-125.9 -77.3 -16.9 6.2 5.1 -15.1 175 177 A G T <5 + 0 0 19 -4,-1.5 -76,-2.1 -6,-0.2 2,-0.4 0.846 69.9 114.3 77.4 36.4 7.7 7.7 -12.7 176 178 A S >< - 0 0 0 -5,-1.5 4,-1.6 -78,-0.2 -1,-0.2 -0.955 48.6-168.1-144.5 119.4 6.1 6.3 -9.5 177 179 A L H > S+ 0 0 0 -83,-0.4 4,-3.0 -2,-0.4 5,-0.3 0.888 96.6 56.2 -66.4 -40.0 7.7 4.7 -6.5 178 180 A I H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.926 107.7 46.5 -61.0 -45.0 4.2 3.6 -5.4 179 181 A L H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.905 113.9 48.9 -64.4 -37.6 3.6 1.7 -8.6 180 182 A G H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.948 113.4 45.5 -65.3 -46.0 7.0 0.1 -8.5 181 183 A L H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 6,-0.2 0.881 108.6 57.9 -62.5 -37.7 6.6 -1.0 -4.9 182 184 A A H <>S+ 0 0 0 -4,-2.6 5,-1.8 -5,-0.3 6,-1.6 0.862 108.1 47.5 -63.8 -32.2 3.1 -2.3 -5.6 183 185 A V H ><5S+ 0 0 5 -4,-1.6 3,-1.4 4,-0.2 -2,-0.2 0.962 115.5 41.9 -69.9 -54.4 4.5 -4.6 -8.3 184 186 A I H 3<5S+ 0 0 9 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.826 116.1 50.7 -68.2 -25.5 7.3 -6.0 -6.2 185 187 A R T 3<5S- 0 0 76 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.399 115.7-114.0 -91.1 2.0 5.0 -6.3 -3.1 186 188 A G T < 5S+ 0 0 64 -3,-1.4 -3,-0.2 2,-0.3 -4,-0.1 0.546 82.4 119.1 82.6 13.8 2.4 -8.2 -5.1 187 189 A R S - 0 0 73 -2,-0.3 4,-2.5 -3,-0.1 5,-0.2 -0.503 37.3 -99.3 -96.8 172.7 1.3 -6.8 -11.8 190 192 A A H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.895 120.7 54.5 -64.5 -40.5 3.4 -4.9 -14.3 191 193 A P H > S+ 0 0 44 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.904 111.5 47.0 -59.3 -37.8 0.7 -4.7 -17.0 192 194 A T H > S+ 0 0 61 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.937 111.2 50.1 -67.6 -44.3 -1.6 -3.1 -14.4 193 195 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.921 111.1 50.6 -57.5 -43.6 1.1 -0.7 -13.3 194 196 A H H X S+ 0 0 18 -4,-2.7 4,-0.9 1,-0.2 -2,-0.2 0.958 111.2 47.4 -60.1 -48.8 1.7 0.3 -16.9 195 197 A A H >< S+ 0 0 58 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.935 111.7 50.3 -59.3 -46.4 -2.0 0.9 -17.6 196 198 A L H >< S+ 0 0 25 -4,-2.9 3,-1.3 1,-0.3 -1,-0.2 0.877 106.1 56.4 -59.3 -37.1 -2.4 3.0 -14.4 197 199 A S H 3< S+ 0 0 19 -4,-2.0 3,-0.3 1,-0.3 -1,-0.3 0.712 104.2 55.1 -68.4 -20.0 0.6 5.0 -15.4 198 200 A R T S+ 0 0 28 -3,-1.3 4,-2.3 1,-0.2 5,-0.2 0.890 81.4 44.3 -56.2 -43.6 -4.3 7.4 -17.6 200 202 A D H > S+ 0 0 49 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.965 115.4 47.4 -67.5 -47.2 -3.5 10.9 -18.8 201 203 A E H > S+ 0 0 56 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.887 113.7 49.3 -49.7 -50.7 -2.1 9.7 -22.2 202 204 A E H X S+ 0 0 52 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.900 108.7 51.8 -60.3 -47.2 -5.2 7.4 -22.6 203 205 A F H X S+ 0 0 48 -4,-2.3 4,-1.7 -5,-0.3 -2,-0.2 0.941 112.1 46.5 -58.4 -46.9 -7.6 10.2 -21.8 204 206 A Q H X S+ 0 0 93 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.902 111.3 51.7 -64.7 -39.7 -6.0 12.5 -24.4 205 207 A A H X S+ 0 0 10 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.859 107.1 52.2 -66.5 -35.9 -5.9 9.7 -27.0 206 208 A E H < S+ 0 0 141 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.888 117.9 39.4 -68.3 -33.8 -9.6 8.9 -26.6 207 209 A R H < S+ 0 0 161 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.914 133.7 18.1 -76.3 -47.5 -10.4 12.7 -27.0 208 210 A W H < S- 0 0 198 -4,-2.9 -3,-0.2 1,-0.2 -2,-0.2 0.410 114.2 -92.3-115.8 0.2 -8.0 13.6 -29.8 209 211 A G < - 0 0 46 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.1 0.011 48.8 -67.0 99.0 152.5 -7.0 10.3 -31.4 210 212 A R - 0 0 104 -4,-0.1 2,-0.6 -3,-0.1 3,-0.1 -0.407 36.0-141.7 -71.6 145.7 -4.1 8.0 -30.8 211 213 A D > - 0 0 87 1,-0.1 4,-2.5 -2,-0.1 5,-0.2 -0.938 8.6-153.2-105.8 114.4 -0.5 9.0 -31.6 212 214 A E H > S+ 0 0 80 -2,-0.6 4,-2.3 1,-0.2 5,-0.2 0.843 93.1 55.5 -62.1 -31.9 1.3 6.0 -33.0 213 215 A E H > S+ 0 0 161 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.908 109.8 45.7 -64.2 -45.5 4.6 7.1 -31.8 214 216 A A H > S+ 0 0 24 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.888 112.1 52.0 -62.7 -38.7 3.4 7.4 -28.3 215 217 A E H X S+ 0 0 48 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.890 107.5 51.8 -66.9 -36.8 1.7 4.0 -28.5 216 218 A A H X S+ 0 0 65 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.920 110.6 49.0 -62.2 -42.8 4.9 2.4 -29.8 217 219 A Q H X S+ 0 0 134 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.932 110.0 51.1 -63.4 -43.6 6.8 3.9 -26.8 218 220 A A H X S+ 0 0 2 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.919 109.2 50.2 -62.8 -41.8 4.2 2.7 -24.3 219 221 A A H X S+ 0 0 62 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.914 111.6 48.1 -64.2 -38.8 4.4 -0.9 -25.7 220 222 A S H X S+ 0 0 87 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.916 110.3 52.0 -67.5 -43.1 8.2 -0.9 -25.5 221 223 A R H X S+ 0 0 44 -4,-2.7 4,-2.1 -5,-0.2 -2,-0.2 0.866 107.1 54.8 -59.2 -35.2 7.9 0.4 -21.9 222 224 A L H X S+ 0 0 47 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.958 108.7 46.3 -64.2 -45.2 5.4 -2.5 -21.1 223 225 A A H X S+ 0 0 55 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.910 111.9 52.0 -65.1 -37.8 7.8 -5.2 -22.2 224 226 A A H X S+ 0 0 29 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.901 109.9 48.9 -61.3 -42.4 10.6 -3.5 -20.3 225 227 A M H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.904 109.5 51.7 -67.8 -38.2 8.4 -3.5 -17.1 226 228 A R H X S+ 0 0 140 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.888 107.7 53.5 -66.1 -32.5 7.6 -7.2 -17.6 227 229 A D H X S+ 0 0 58 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.919 110.3 46.7 -65.0 -41.3 11.3 -7.9 -17.9 228 230 A S H X S+ 0 0 7 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.912 111.6 50.7 -66.0 -40.9 11.9 -6.1 -14.6 229 231 A E H X S+ 0 0 30 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.910 109.6 51.0 -59.9 -43.6 9.0 -7.9 -12.9 230 232 A R H X S+ 0 0 137 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.916 109.1 50.8 -60.0 -44.3 10.4 -11.3 -14.2 231 233 A F H X S+ 0 0 0 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.902 108.6 53.4 -62.1 -40.2 13.8 -10.4 -12.7 232 234 A W H >< S+ 0 0 13 -4,-2.3 3,-0.7 1,-0.2 4,-0.4 0.963 111.9 43.6 -54.7 -55.8 12.2 -9.6 -9.4 233 235 A H H >< S+ 0 0 102 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.913 112.1 52.1 -63.2 -41.5 10.4 -12.9 -9.2 234 236 A L H 3< S+ 0 0 15 -4,-2.5 -187,-0.7 1,-0.2 -1,-0.2 0.718 106.5 55.3 -67.8 -21.7 13.4 -15.0 -10.3 235 237 A T T << 0 0 3 -4,-1.2 -1,-0.2 -3,-0.7 -2,-0.2 0.394 360.0 360.0 -95.0 4.7 15.7 -13.4 -7.6 236 238 A R < 0 0 121 -3,-1.3 -190,-0.2 -4,-0.4 -3,-0.0 -0.552 360.0 360.0 -79.7 360.0 13.5 -14.2 -4.6