==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-JUL-09 3I73 . COMPND 2 MOLECULE: A-TYPE ATP SYNTHASE CATALYTIC SUBUNIT A; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR S.M.S.MANIMEKALAI,A.KUMAR,A.M.BALAKRISHNA,G.GRUBER . 512 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23762.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 359 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 47 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 138 27.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.8 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 3 1 1 1 0 0 2 0 0 0 0 2 0 0 0 1 0 1 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 1 0 2 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 . 4 5 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 3 2 1 0 0 0 0 0 0 1 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 63 A E 0 0 198 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -62.5 -9.3 37.6 -12.8 2 64 A P + 0 0 110 0, 0.0 2,-0.2 0, 0.0 6,-0.1 -0.572 360.0 141.2 -86.6 172.1 -7.1 34.4 -12.9 3 65 A V - 0 0 97 -2,-0.2 4,-0.3 4,-0.2 2,-0.1 -0.734 44.7 -83.3 162.5 161.0 -4.9 33.5 -9.9 4 66 A V S S+ 0 0 138 -2,-0.2 2,-0.4 2,-0.1 4,-0.2 -0.324 80.5 48.6 -82.1 156.5 -3.4 30.7 -7.7 5 67 A G S S- 0 0 54 2,-0.1 2,-0.3 -2,-0.1 -2,-0.0 -0.984 114.1 -13.3 122.2-130.0 -5.0 28.9 -4.7 6 68 A T S S- 0 0 110 -2,-0.4 4,-0.3 4,-0.0 35,-0.2 -0.483 121.3 -46.2-111.2 60.0 -8.6 27.6 -4.7 7 69 A G B -a 41 0A 9 33,-1.5 35,-0.7 -4,-0.3 -4,-0.2 -0.181 69.0 -97.7 132.3 -42.2 -10.1 29.1 -7.8 8 70 A A S S- 0 0 22 -4,-0.2 -1,-0.1 -6,-0.1 34,-0.1 0.945 94.5 -29.9 78.7 69.1 -9.5 32.9 -8.5 9 71 A S + 0 0 93 1,-0.2 2,-1.0 -3,-0.1 -2,-0.1 0.791 68.4 179.8 63.0 42.6 -12.8 34.5 -7.2 10 72 A L + 0 0 37 -4,-0.3 123,-0.9 122,-0.1 124,-0.5 -0.588 38.3 146.2 -66.2 100.9 -15.5 31.7 -7.8 11 73 A S E -C 132 0B 38 -2,-1.0 2,-0.3 121,-0.3 238,-0.0 -0.646 46.8-127.9-142.8-176.1 -18.2 33.9 -6.4 12 74 A V E -C 131 0B 0 119,-1.7 119,-1.7 -2,-0.2 2,-0.3 -0.940 21.1-124.4-140.1 154.1 -21.8 35.1 -6.2 13 75 A E E -C 130 0B 28 -2,-0.3 2,-0.4 117,-0.2 117,-0.2 -0.829 21.7-163.2-103.7 147.9 -23.6 38.5 -6.2 14 76 A L E +C 129 0B 0 115,-2.1 115,-1.0 -2,-0.3 36,-0.0 -0.937 39.0 86.1-139.1 108.2 -26.0 39.4 -3.4 15 77 A G S > S- 0 0 0 -2,-0.4 3,-0.8 113,-0.2 113,-0.2 -0.955 79.4 -19.8-178.6-177.5 -28.5 42.2 -3.6 16 78 A P T 3 S+ 0 0 0 0, 0.0 92,-0.1 0, 0.0 40,-0.0 -0.140 117.4 39.4 -47.4 134.1 -32.1 42.9 -4.7 17 79 A R T 3 S+ 0 0 78 33,-0.1 4,-0.0 -3,-0.0 -3,-0.0 0.501 73.8 108.0 94.7 13.4 -33.5 40.3 -7.2 18 80 A L X + 0 0 0 -3,-0.8 3,-1.5 2,-0.1 2,-0.1 0.878 67.8 83.7 -70.9 -40.8 -32.1 37.1 -5.8 19 81 A L T 3 S+ 0 0 1 1,-0.2 211,-0.2 211,-0.1 208,-0.1 -0.366 98.4 14.5 -67.1 141.6 -35.7 36.5 -4.8 20 82 A T T 3 S+ 0 0 53 209,-2.8 -1,-0.2 206,-0.9 210,-0.2 0.248 99.3 130.4 76.5 -5.6 -37.9 34.9 -7.5 21 83 A S < - 0 0 4 -3,-1.5 210,-2.3 208,-0.3 2,-0.4 -0.436 49.9-149.0 -81.1 151.0 -34.8 34.0 -9.5 22 84 A I E +d 231 0C 39 208,-0.2 8,-0.7 -2,-0.1 2,-0.2 -0.974 30.2 169.6-114.4 134.3 -34.0 30.6 -11.0 23 85 A Y E -dE 232 29C 5 208,-1.6 210,-3.1 -2,-0.4 2,-0.2 -0.791 27.2-123.1-137.4 173.6 -30.3 29.9 -11.2 24 86 A D > - 0 0 2 4,-0.8 3,-2.3 -2,-0.2 210,-0.1 -0.578 55.1 -69.0-112.3-178.4 -27.7 27.2 -11.9 25 87 A G T 3 S+ 0 0 0 208,-0.3 224,-0.3 1,-0.3 223,-0.1 0.593 134.6 31.6 -42.9 -21.7 -24.7 25.8 -9.9 26 88 A I T 3 S- 0 0 34 2,-0.1 -1,-0.3 223,-0.1 -15,-0.1 -0.114 122.9 -90.4-137.3 35.0 -22.8 29.1 -10.2 27 89 A Q S < S+ 0 0 9 -3,-2.3 -2,-0.1 1,-0.2 -14,-0.1 0.741 73.3 142.6 66.0 33.4 -25.6 31.8 -10.4 28 90 A R - 0 0 10 1,-0.1 -4,-0.8 5,-0.1 3,-0.3 -0.864 51.0-111.2 -96.0 137.7 -26.4 32.1 -14.1 29 91 A P B S-E 23 0C 35 0, 0.0 -6,-0.2 0, 0.0 -1,-0.1 -0.064 74.7 -14.9 -64.1 167.2 -30.1 32.7 -15.0 30 92 A L S S- 0 0 117 -8,-0.7 -7,-0.1 1,-0.1 -6,-0.0 0.422 124.1 -35.6 -5.7 83.6 -32.5 30.2 -16.8 31 93 A E S S+ 0 0 142 -3,-0.3 2,-0.1 2,-0.0 -1,-0.1 0.944 70.5 166.0 51.9 105.6 -30.0 27.6 -18.2 32 94 A V - 0 0 38 1,-0.2 14,-0.1 -4,-0.2 15,-0.1 -0.024 30.5 -96.7-111.7-134.4 -26.6 28.7 -19.5 33 95 A I - 0 0 106 1,-0.1 2,-0.3 -2,-0.1 -1,-0.2 0.034 48.6 -10.0-131.1-132.1 -23.5 26.3 -20.3 34 96 A R + 0 0 173 10,-0.1 2,-0.3 204,-0.1 -1,-0.1 -0.653 33.6 166.6-105.3 131.2 -20.2 24.6 -19.5 35 97 A E - 0 0 13 -2,-0.3 206,-0.5 2,-0.0 2,-0.2 -0.916 15.8-170.4-127.7 153.0 -17.6 24.8 -16.7 36 98 A K + 0 0 136 7,-0.3 7,-0.4 -2,-0.3 2,-0.2 -0.807 36.4 17.6-138.1 177.2 -14.8 22.4 -15.8 37 99 A T + 0 0 102 -2,-0.2 2,-0.2 5,-0.1 5,-0.2 -0.393 46.7 177.5 68.9-124.0 -12.0 21.3 -13.4 38 100 A G B > +B 41 0A 24 3,-1.5 3,-0.6 -2,-0.2 -31,-0.1 -0.631 52.7 87.2 103.7-174.1 -12.0 22.5 -9.8 39 101 A D T 3 S+ 0 0 88 1,-0.3 3,-0.1 -2,-0.2 -34,-0.1 0.196 120.1 15.9 67.0 -19.4 -9.4 21.6 -7.1 40 102 A F T 3 S- 0 0 134 1,-0.5 -33,-1.5 -34,-0.1 -1,-0.3 0.383 129.2 -30.6-139.0 -71.9 -7.5 24.5 -8.5 41 103 A I B < -aB 7 38A 75 -3,-0.6 -3,-1.5 -35,-0.2 -1,-0.5 -0.683 49.6-139.5-142.2-169.2 -9.5 26.9 -10.7 42 104 A A - 0 0 33 -35,-0.7 2,-0.3 -2,-0.2 -5,-0.1 -0.964 7.7-133.9-163.3 150.4 -12.5 27.1 -13.2 43 105 A R - 0 0 194 -7,-0.4 -7,-0.3 -2,-0.3 2,-0.2 -0.773 26.3-170.1-106.7 152.3 -13.6 28.6 -16.5 44 106 A G - 0 0 47 -2,-0.3 2,-0.3 -9,-0.1 -10,-0.1 -0.609 13.6-139.9-131.7-172.5 -17.0 30.3 -17.3 45 107 A V - 0 0 66 -2,-0.2 -12,-0.1 -12,-0.1 -13,-0.0 -0.972 40.6 -58.1-157.7 165.9 -19.5 31.9 -19.8 46 108 A T + 0 0 132 -2,-0.3 -13,-0.1 -14,-0.1 -18,-0.0 -0.134 64.6 103.6 -77.5 134.3 -22.0 34.8 -20.2 47 109 A A - 0 0 44 -15,-0.1 2,-0.7 -19,-0.1 -2,-0.1 -0.713 55.9-118.9 171.9 138.9 -25.0 35.9 -18.1 48 110 A P - 0 0 89 0, 0.0 -20,-0.1 0, 0.0 -21,-0.0 -0.820 16.0-153.8 -98.7 110.6 -25.7 38.7 -15.5 49 111 A A S S+ 0 0 10 -2,-0.7 -22,-0.0 1,-0.1 -21,-0.0 0.799 82.6 25.0 -48.4 -46.3 -26.8 37.4 -12.0 50 112 A L S S- 0 0 0 -36,-0.0 2,-0.2 -21,-0.0 -33,-0.1 -0.978 95.6-104.6-122.8 137.9 -28.8 40.4 -11.0 51 113 A P - 0 0 23 0, 0.0 57,-0.5 0, 0.0 -2,-0.1 -0.404 22.9-167.3 -65.1 130.0 -30.4 42.9 -13.4 52 114 A R S S+ 0 0 61 -2,-0.2 57,-0.3 1,-0.1 56,-0.0 0.655 86.0 57.8 -87.7 -19.2 -28.5 46.2 -13.8 53 115 A D S S+ 0 0 135 54,-0.1 -1,-0.1 55,-0.1 54,-0.0 0.847 83.9 94.2 -79.4 -38.6 -31.5 47.8 -15.7 54 116 A K - 0 0 91 1,-0.1 2,-0.5 53,-0.0 54,-0.4 -0.260 69.6-136.7 -60.5 141.4 -34.1 47.3 -13.0 55 117 A K - 0 0 131 52,-0.1 2,-0.3 53,-0.1 52,-0.2 -0.892 17.5-162.0-107.6 130.1 -34.7 50.2 -10.5 56 118 A W E -N 106 0D 11 50,-3.0 50,-2.1 -2,-0.5 2,-0.6 -0.831 22.7-117.2-113.1 143.9 -35.2 49.7 -6.8 57 119 A H E -N 105 0D 63 -2,-0.3 2,-0.6 21,-0.3 48,-0.2 -0.693 32.0-161.1 -78.5 121.2 -36.6 51.8 -4.1 58 120 A F E -N 104 0D 0 46,-3.1 46,-1.3 -2,-0.6 19,-0.2 -0.923 9.3-168.8-108.4 119.0 -33.9 52.7 -1.6 59 121 A I E -O 76 0E 44 17,-2.9 17,-2.5 -2,-0.6 43,-0.1 -0.929 24.5-131.5-104.8 114.6 -34.8 53.9 1.9 60 122 A P E -O 75 0E 40 0, 0.0 15,-0.3 0, 0.0 43,-0.1 -0.319 23.3-177.1 -65.8 147.4 -31.7 55.2 3.7 61 123 A K + 0 0 107 13,-3.5 2,-0.3 26,-0.1 14,-0.2 0.233 63.3 47.7-130.6 10.2 -31.2 53.9 7.3 62 124 A A - 0 0 22 12,-0.7 2,-0.3 4,-0.0 12,-0.0 -0.937 68.2-137.5-145.4 163.1 -28.0 55.9 8.3 63 125 A K > - 0 0 149 -2,-0.3 3,-2.1 -3,-0.1 34,-0.2 -0.818 39.2 -76.9-122.6 161.7 -26.8 59.5 8.1 64 126 A V T 3 S+ 0 0 94 -2,-0.3 34,-0.2 1,-0.3 3,-0.1 -0.364 119.7 31.3 -53.6 128.2 -23.5 61.3 7.3 65 127 A G T 3 S+ 0 0 37 32,-3.1 2,-0.3 1,-0.3 -1,-0.3 0.386 83.6 136.3 98.2 -3.0 -21.2 60.8 10.3 66 128 A D < - 0 0 49 -3,-2.1 31,-2.5 31,-0.3 2,-0.4 -0.594 52.7-132.0 -74.3 132.6 -22.5 57.4 11.4 67 129 A K E -Q 96 0F 154 -2,-0.3 2,-0.3 29,-0.2 29,-0.2 -0.721 33.6-176.1 -78.8 138.7 -19.8 55.0 12.4 68 130 A V E -Q 95 0F 9 27,-2.6 27,-2.2 -2,-0.4 2,-0.3 -0.948 16.2-167.6-136.6 155.4 -20.4 51.5 10.7 69 131 A V > - 0 0 47 -2,-0.3 3,-2.0 25,-0.2 20,-0.3 -0.797 49.4 -58.0-127.8 173.6 -19.0 48.0 10.7 70 132 A G T 3 S+ 0 0 9 -2,-0.3 233,-0.1 1,-0.2 -1,-0.1 -0.270 124.1 20.3 -48.4 134.9 -19.4 45.0 8.5 71 133 A G T 3 S+ 0 0 6 18,-3.1 -1,-0.2 1,-0.3 230,-0.0 0.221 86.0 140.4 88.2 -14.9 -23.0 43.9 8.4 72 134 A D < - 0 0 14 -3,-2.0 17,-2.6 18,-0.1 2,-0.7 -0.324 55.7-119.9 -61.0 147.0 -24.5 47.2 9.6 73 135 A I E + P 0 88E 38 15,-0.2 15,-0.3 1,-0.2 -1,-0.1 -0.796 35.5 171.5-100.5 115.8 -27.6 48.1 7.8 74 136 A I E - 0 0 2 13,-3.0 -13,-3.5 -2,-0.7 -12,-0.7 0.637 64.0 -8.1-103.8 -14.9 -27.4 51.3 5.8 75 137 A G E -OP 60 87E 0 12,-1.1 12,-3.2 -15,-0.3 2,-0.4 -0.982 58.5-119.4-166.1 174.1 -30.8 51.0 4.0 76 138 A E E -OP 59 86E 47 -17,-2.5 -17,-2.9 -2,-0.3 10,-0.2 -0.964 14.1-166.6-123.3 141.1 -33.9 49.0 3.1 77 139 A V E - P 0 85E 0 8,-3.2 8,-3.4 -2,-0.4 2,-1.0 -0.956 20.9-138.0-127.8 113.9 -35.2 47.9 -0.3 78 140 A P E + P 0 84E 67 0, 0.0 -21,-0.3 0, 0.0 6,-0.2 -0.582 34.6 169.3 -66.6 99.6 -38.8 46.6 -0.7 79 141 A E - 0 0 17 4,-1.4 2,-0.3 -2,-1.0 5,-0.2 0.805 59.8 -2.1 -93.6 -39.0 -37.9 43.7 -3.1 80 142 A T S S- 0 0 29 3,-1.3 5,-0.1 147,-0.1 -1,-0.1 -0.784 84.2 -94.7-133.1-177.3 -41.1 41.6 -3.2 81 143 A S S S+ 0 0 66 -2,-0.3 3,-0.1 1,-0.1 142,-0.0 0.560 124.5 39.2 -79.4 -8.2 -44.4 42.0 -1.4 82 144 A I S S+ 0 0 45 145,-0.4 2,-0.5 1,-0.2 -1,-0.1 0.845 110.7 53.1 -99.2 -51.1 -43.1 39.6 1.3 83 145 A I - 0 0 4 144,-0.6 -4,-1.4 -5,-0.0 -3,-1.3 -0.798 58.4-154.3-107.5 120.5 -39.4 40.4 1.9 84 146 A V E -P 78 0E 48 -2,-0.5 2,-0.4 -6,-0.2 -3,-0.0 -0.767 25.5-135.1 -78.7 124.1 -37.7 43.7 2.7 85 147 A H E -P 77 0E 0 -8,-3.4 -8,-3.2 -2,-0.5 2,-0.5 -0.701 14.3-143.6 -82.2 133.0 -34.1 43.5 1.4 86 148 A K E -P 76 0E 41 -2,-0.4 2,-0.7 -10,-0.2 -10,-0.2 -0.891 7.2-141.1-102.9 120.7 -31.6 44.9 4.0 87 149 A I E -P 75 0E 2 -12,-3.2 -13,-3.0 -2,-0.5 -12,-1.1 -0.744 28.5-172.4 -87.5 116.3 -28.6 46.8 2.6 88 150 A M E -P 73 0E 10 -2,-0.7 -15,-0.2 -15,-0.3 -16,-0.1 -0.840 31.4-109.6-115.2 146.3 -25.5 45.9 4.5 89 151 A V - 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0 0 61 -2,-0.3 3,-1.8 1,-0.2 8,-0.1 -0.777 19.7-178.4-101.7 99.4 -53.7 15.5 6.6 432 507 A A T 3 S+ 0 0 23 -2,-0.9 -1,-0.2 1,-0.3 6,-0.1 0.676 84.1 56.7 -66.7 -19.3 -51.6 17.8 4.4 433 508 A F T 3 S+ 0 0 168 -3,-0.1 2,-0.4 4,-0.1 -1,-0.3 0.326 87.2 96.7 -91.7 1.9 -54.6 18.2 2.0 434 509 A D S <> S- 0 0 48 -3,-1.8 4,-1.5 1,-0.1 5,-0.1 -0.777 75.5-131.8-100.9 142.6 -57.0 19.4 4.6 435 510 A E T 4 S+ 0 0 175 -2,-0.4 -1,-0.1 1,-0.2 4,-0.1 0.838 106.3 27.7 -59.1 -37.4 -57.7 23.1 5.2 436 511 A V T >4 S+ 0 0 20 1,-0.1 3,-1.4 2,-0.1 -1,-0.2 0.927 121.4 48.2 -85.8 -53.9 -57.2 22.8 8.9 437 512 A D T 34 S+ 0 0 0 1,-0.3 -2,-0.2 3,-0.1 3,-0.1 0.494 85.1 87.2 -79.2 -1.6 -54.8 19.9 9.4 438 513 A T T 3< S+ 0 0 21 -4,-1.5 2,-0.3 1,-0.2 -1,-0.3 0.718 103.0 27.3 -65.9 -23.1 -52.2 21.0 6.9 439 514 A Y < - 0 0 60 -3,-1.4 -1,-0.2 -5,-0.1 -286,-0.2 -0.988 69.3-164.3-139.9 132.6 -50.7 23.1 9.7 440 515 A C - 0 0 0 -288,-1.8 -288,-0.1 -2,-0.3 5,-0.1 -0.896 19.2-139.3-120.9 103.6 -50.8 22.3 13.4 441 516 A P >> - 0 0 53 0, 0.0 4,-2.3 0, 0.0 3,-0.6 -0.195 25.2-110.6 -56.5 148.8 -49.8 25.3 15.6 442 517 A P H 3> S+ 0 0 18 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.881 118.6 54.0 -41.8 -49.9 -47.6 24.5 18.7 443 518 A E H 3> S+ 0 0 105 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.849 110.8 46.4 -59.0 -38.4 -50.5 25.3 21.1 444 519 A K H <> S+ 0 0 4 -3,-0.6 4,-2.8 2,-0.2 -1,-0.2 0.883 107.5 57.1 -72.0 -38.9 -52.7 22.8 19.3 445 520 A Q H X S+ 0 0 1 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.935 109.6 44.2 -58.3 -48.6 -50.0 20.1 19.2 446 521 A V H X S+ 0 0 8 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.838 113.5 50.4 -69.0 -32.5 -49.7 20.1 23.0 447 522 A T H X S+ 0 0 6 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.927 109.9 49.4 -71.7 -46.3 -53.4 20.2 23.6 448 523 A M H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.893 112.3 50.0 -54.4 -39.9 -54.0 17.2 21.3 449 524 A M H X S+ 0 0 5 -4,-1.8 4,-2.7 -5,-0.2 5,-0.3 0.912 108.7 51.5 -66.6 -45.9 -51.2 15.4 23.2 450 525 A R H X S+ 0 0 67 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.908 108.5 52.2 -53.6 -46.9 -52.8 16.2 26.6 451 526 A V H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.944 113.4 43.8 -57.5 -46.6 -56.1 14.8 25.4 452 527 A L H X S+ 0 0 2 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.880 115.9 45.1 -69.1 -41.2 -54.5 11.6 24.2 453 528 A L H X S+ 0 0 6 -4,-2.7 4,-3.0 2,-0.2 -1,-0.2 0.837 111.2 53.3 -74.6 -35.5 -52.3 11.0 27.3 454 529 A N H X S+ 0 0 30 -4,-2.6 4,-2.5 -5,-0.3 -1,-0.2 0.875 107.6 51.6 -62.0 -38.2 -55.1 11.9 29.6 455 530 A F H X S+ 0 0 0 -4,-1.8 4,-2.1 -5,-0.3 -2,-0.2 0.872 110.3 50.6 -65.6 -34.6 -57.2 9.2 27.8 456 531 A Y H X S+ 0 0 50 -4,-1.6 4,-2.5 2,-0.2 5,-0.3 0.969 109.1 49.0 -63.5 -54.3 -54.3 6.8 28.4 457 532 A D H X S+ 0 0 69 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.940 115.9 44.4 -49.2 -54.3 -54.1 7.6 32.1 458 533 A K H X S+ 0 0 33 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.805 110.0 55.4 -62.6 -35.9 -57.9 7.1 32.4 459 534 A T H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.945 111.9 42.4 -60.8 -48.1 -57.8 3.9 30.3 460 535 A M H X S+ 0 0 27 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.840 112.6 53.8 -70.1 -34.9 -55.2 2.3 32.6 461 536 A E H < S+ 0 0 66 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.862 111.0 47.2 -62.3 -39.0 -57.0 3.5 35.7 462 537 A A H ><>S+ 0 0 0 -4,-1.8 5,-2.2 2,-0.2 3,-1.6 0.886 110.8 48.8 -72.2 -45.1 -60.2 1.9 34.4 463 538 A I H ><5S+ 0 0 29 -4,-2.3 3,-2.3 1,-0.3 -2,-0.2 0.947 105.8 60.7 -55.4 -47.8 -58.6 -1.4 33.5 464 539 A N T 3<5S+ 0 0 131 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.436 108.2 45.5 -59.1 -1.2 -57.0 -1.3 37.0 465 540 A R T < 5S- 0 0 99 -3,-1.6 -1,-0.3 2,-0.2 -2,-0.2 0.070 122.8 -94.8-136.9 23.2 -60.6 -1.3 38.3 466 541 A G T < 5S+ 0 0 59 -3,-2.3 -3,-0.2 1,-0.3 -2,-0.1 0.456 71.2 145.7 79.2 2.7 -62.3 -4.0 36.4 467 542 A V < - 0 0 2 -5,-2.2 -1,-0.3 -8,-0.1 -2,-0.2 -0.605 54.5-118.0 -68.8 124.2 -63.9 -1.9 33.6 468 543 A P >> - 0 0 31 0, 0.0 3,-1.1 0, 0.0 4,-0.8 -0.413 11.1-128.5 -64.5 144.8 -63.7 -4.1 30.5 469 544 A L H >> S+ 0 0 8 1,-0.2 4,-2.8 2,-0.2 3,-0.7 0.828 107.0 65.3 -58.8 -36.7 -61.6 -2.8 27.6 470 545 A E H 34 S+ 0 0 85 1,-0.3 4,-0.4 2,-0.2 -1,-0.2 0.785 100.0 52.8 -59.8 -27.4 -64.5 -3.2 25.2 471 546 A E H <4 S+ 0 0 27 -3,-1.1 -1,-0.3 2,-0.2 -2,-0.2 0.785 111.4 45.5 -75.1 -31.2 -66.4 -0.6 27.2 472 547 A I H X< S+ 0 0 0 -4,-0.8 3,-1.6 -3,-0.7 -2,-0.2 0.880 104.7 61.3 -82.1 -38.2 -63.5 1.8 26.8 473 548 A A T 3< S+ 0 0 34 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.660 110.6 41.6 -55.2 -22.4 -63.0 1.1 23.1 474 549 A K T 3 S+ 0 0 141 -4,-0.4 -1,-0.3 -5,-0.2 -2,-0.2 0.201 76.7 137.1-119.4 13.1 -66.6 2.4 22.5 475 550 A L X - 0 0 11 -3,-1.6 3,-1.0 1,-0.1 4,-0.5 -0.389 60.0-129.1 -54.3 130.9 -66.5 5.4 24.8 476 551 A P T >> S+ 0 0 86 0, 0.0 3,-1.2 0, 0.0 4,-0.8 0.871 102.8 64.5 -61.9 -33.3 -68.2 8.1 22.6 477 552 A V H >> S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 3,-0.6 0.810 86.1 75.9 -58.7 -30.6 -65.4 10.7 23.2 478 553 A R H <> S+ 0 0 60 -3,-1.0 4,-2.1 1,-0.3 -1,-0.2 0.846 94.4 48.4 -45.7 -44.4 -62.9 8.4 21.3 479 554 A E H <> S+ 0 0 102 -3,-1.2 4,-0.5 -4,-0.5 -1,-0.3 0.832 109.5 51.9 -75.5 -27.7 -64.4 9.3 18.0 480 555 A E H XX S+ 0 0 42 -4,-0.8 4,-0.7 -3,-0.6 3,-0.6 0.859 107.8 53.6 -69.5 -36.2 -64.2 13.0 18.9 481 556 A I H >< S+ 0 0 0 -4,-2.6 3,-0.7 1,-0.2 4,-0.4 0.898 104.9 54.9 -61.3 -40.4 -60.6 12.4 19.8 482 557 A G H 3< S+ 0 0 24 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.670 113.1 41.5 -64.7 -18.8 -60.1 10.9 16.3 483 558 A R H X< S+ 0 0 125 -3,-0.6 3,-2.2 -4,-0.5 4,-0.4 0.489 83.6 97.9-107.7 -3.7 -61.5 14.1 14.7 484 559 A M G X< S+ 0 0 5 -4,-0.7 3,-1.4 -3,-0.7 -2,-0.1 0.786 72.6 67.2 -61.7 -27.9 -59.8 16.7 16.8 485 560 A K G 3 S+ 0 0 17 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.741 98.7 55.0 -59.9 -21.6 -57.0 17.3 14.3 486 561 A F G < S+ 0 0 82 -3,-2.2 2,-0.5 -50,-0.1 -1,-0.2 0.528 88.5 97.7 -89.5 -7.6 -59.8 18.8 12.0 487 562 A E < - 0 0 64 -3,-1.4 6,-0.1 -4,-0.4 -3,-0.0 -0.701 51.8-169.2 -86.7 125.0 -60.9 21.3 14.6 488 563 A R S S+ 0 0 177 -2,-0.5 2,-1.0 1,-0.1 -1,-0.1 0.858 70.2 82.8 -74.4 -40.2 -59.5 24.9 14.4 489 564 A D >> - 0 0 68 1,-0.2 4,-1.2 2,-0.1 3,-1.2 -0.579 60.8-168.2 -78.0 102.5 -60.7 26.0 17.9 490 565 A V H 3> S+ 0 0 19 -2,-1.0 4,-2.8 1,-0.3 -1,-0.2 0.769 85.5 61.1 -63.3 -28.9 -58.1 24.8 20.4 491 566 A S H 3> S+ 0 0 63 2,-0.2 4,-1.1 1,-0.2 -1,-0.3 0.814 102.1 53.1 -68.8 -28.6 -60.4 25.5 23.3 492 567 A K H <4 S+ 0 0 115 -3,-1.2 4,-0.5 2,-0.2 -1,-0.2 0.854 109.9 47.1 -71.5 -35.9 -62.9 22.9 21.9 493 568 A I H >< S+ 0 0 2 -4,-1.2 3,-1.7 1,-0.2 4,-0.3 0.939 109.2 55.2 -66.8 -46.2 -60.1 20.4 21.7 494 569 A R H >< S+ 0 0 103 -4,-2.8 3,-1.3 1,-0.3 4,-0.5 0.776 97.9 63.8 -56.1 -28.4 -59.1 21.3 25.3 495 570 A S T 3X S+ 0 0 62 -4,-1.1 4,-2.0 1,-0.3 3,-0.3 0.723 84.0 75.8 -74.3 -21.7 -62.7 20.6 26.4 496 571 A L H <> S+ 0 0 11 -3,-1.7 4,-2.2 -4,-0.5 -1,-0.3 0.737 85.3 65.7 -57.3 -25.6 -62.3 16.9 25.4 497 572 A I H <> S+ 0 0 33 -3,-1.3 4,-2.3 -4,-0.3 -1,-0.2 0.968 106.7 38.0 -61.9 -52.7 -60.2 16.5 28.6 498 573 A D H > S+ 0 0 102 -4,-0.5 4,-2.5 -3,-0.3 5,-0.2 0.883 115.6 54.0 -67.3 -37.2 -63.2 17.1 30.9 499 574 A K H X S+ 0 0 74 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.863 109.2 48.8 -65.7 -35.1 -65.5 15.2 28.6 500 575 A T H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.945 110.6 51.6 -65.3 -50.6 -63.1 12.2 28.8 501 576 A N H X S+ 0 0 44 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.926 112.6 43.4 -52.5 -50.4 -63.0 12.5 32.5 502 577 A E H X S+ 0 0 109 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.896 110.5 53.8 -70.0 -41.0 -66.8 12.5 33.0 503 578 A Q H < S+ 0 0 24 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.851 110.6 48.8 -57.3 -36.3 -67.5 9.8 30.5 504 579 A F H >X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 3,-1.6 0.881 107.5 53.7 -71.5 -42.1 -65.1 7.6 32.4 505 580 A E H 3X S+ 0 0 110 -4,-2.1 4,-2.5 1,-0.3 -2,-0.2 0.902 103.4 57.2 -54.4 -42.9 -66.8 8.6 35.7 506 581 A E H 3X S+ 0 0 131 -4,-2.6 4,-0.7 1,-0.2 -1,-0.3 0.530 110.6 46.0 -62.1 -7.8 -70.0 7.4 34.1 507 582 A L H <> S+ 0 0 12 -3,-1.6 4,-0.6 -5,-0.2 6,-0.3 0.720 107.7 52.4-106.4 -35.8 -68.2 4.1 33.6 508 583 A F H X>S+ 0 0 7 -4,-2.1 5,-1.7 2,-0.2 4,-0.9 0.900 113.0 48.7 -63.1 -43.8 -66.7 3.8 37.1 509 584 A K H ><5S+ 0 0 175 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.983 105.9 54.4 -57.5 -63.6 -70.3 4.3 38.4 510 585 A K H 3<5S+ 0 0 137 -4,-0.7 -1,-0.2 1,-0.3 -2,-0.2 0.623 119.1 36.5 -49.8 -16.4 -71.9 1.7 36.1 511 586 A Y H 3<5S- 0 0 101 -4,-0.6 -1,-0.3 -3,-0.5 -2,-0.2 0.503 104.5-122.5-113.6 -5.7 -69.3 -0.9 37.5 512 587 A G T <<5 0 0 74 -3,-1.8 -3,-0.2 -4,-0.9 -2,-0.1 0.586 360.0 360.0 72.9 11.7 -69.2 0.3 41.1 513 588 A A < 0 0 40 -5,-1.7 -4,-0.2 -6,-0.3 -5,-0.1 0.632 360.0 360.0 -68.9 360.0 -65.5 0.6 40.2