==== 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 METAL TRANSPORT 11-JUL-06 2HN1 . COMPND 2 MOLECULE: MAGNESIUM AND COBALT TRANSPORTER; . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; . AUTHOR J.PAYANDEH,E.F.PAI . 246 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15871.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 0.8 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 . 28 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 37.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 0 0 0 2 1 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 1 0 1 1 1 0 0 0 0 1 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 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 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 18 A P 0 0 106 0, 0.0 2,-0.4 0, 0.0 61,-0.1 0.000 360.0 360.0 360.0 83.5 -24.9 -12.5 -26.4 2 19 A V - 0 0 105 74,-0.0 2,-0.4 57,-0.0 77,-0.1 -0.915 360.0-154.3-115.8 133.7 -21.1 -12.1 -26.6 3 20 A F + 0 0 23 -2,-0.4 2,-0.3 53,-0.1 77,-0.2 -0.881 12.3 178.3-110.9 135.7 -18.5 -13.8 -24.3 4 21 A T B +a 80 0A 82 75,-0.8 77,-0.8 -2,-0.4 78,-0.2 -0.997 50.3 44.8-135.4 142.9 -15.0 -12.6 -23.3 5 22 A G - 0 0 37 -2,-0.3 2,-0.3 75,-0.1 -1,-0.2 0.888 68.0-136.9 91.2 85.3 -12.3 -14.0 -21.0 6 23 A E + 0 0 143 -3,-0.1 -1,-0.1 1,-0.1 50,-0.0 -0.538 39.0 150.2 -74.3 128.9 -11.8 -17.8 -21.4 7 24 A K + 0 0 49 -2,-0.3 48,-0.1 3,-0.1 -1,-0.1 -0.376 45.6 62.8-162.5 72.9 -11.4 -19.6 -18.0 8 25 A K - 0 0 58 46,-0.1 3,-0.1 119,-0.1 -2,-0.0 0.395 56.7-154.3-157.5 -43.3 -12.5 -23.3 -17.8 9 26 A V S S+ 0 0 143 1,-0.2 2,-0.3 0, 0.0 -3,-0.0 0.550 77.9 76.9 56.4 11.5 -10.6 -25.7 -20.0 10 27 A E S S- 0 0 145 3,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.862 85.1-102.7-136.3 169.7 -13.8 -27.8 -19.8 11 28 A E - 0 0 144 -2,-0.3 42,-0.0 1,-0.1 44,-0.0 -0.712 50.0 -78.0 -99.5 153.8 -17.3 -27.8 -21.3 12 29 A T - 0 0 30 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 -0.032 41.5-170.3 -47.4 138.0 -20.6 -26.6 -19.7 13 30 A K - 0 0 68 -3,-0.1 40,-0.4 2,-0.0 -1,-0.1 -0.744 4.3-162.0-138.7 94.5 -22.3 -28.9 -17.2 14 31 A I + 0 0 15 18,-0.3 18,-0.4 -2,-0.3 2,-0.3 -0.354 14.1 175.3 -64.2 147.9 -25.8 -28.1 -16.0 15 32 A T E -B 51 0B 26 36,-1.2 36,-2.5 16,-0.1 2,-0.4 -0.925 8.7-163.8-158.7 134.3 -27.0 -29.8 -12.8 16 33 A A E -B 50 0B 20 13,-1.0 2,-0.4 -2,-0.3 34,-0.2 -0.956 5.5-155.3-130.5 143.3 -30.2 -29.3 -10.8 17 34 A A E -B 49 0B 13 32,-1.5 32,-2.0 -2,-0.4 2,-0.4 -0.895 5.0-162.0-116.3 145.7 -31.4 -30.1 -7.3 18 35 A I E +BC 48 27B 18 9,-1.7 9,-0.6 -2,-0.4 2,-0.4 -0.995 11.4 175.2-130.6 127.3 -35.0 -30.6 -6.1 19 36 A Y E -BC 47 26B 2 28,-1.8 28,-1.7 -2,-0.4 2,-0.5 -0.995 14.7-164.3-136.3 137.2 -36.1 -30.5 -2.4 20 37 A D - 0 0 38 5,-0.6 3,-0.5 3,-0.4 5,-0.3 -0.802 54.5 -67.2-128.9 88.3 -39.6 -30.7 -0.9 21 38 A E S S- 0 0 93 125,-0.9 -1,-0.4 -2,-0.5 126,-0.2 0.085 91.2 -37.8 60.2-173.5 -39.7 -29.5 2.7 22 39 A K S S+ 0 0 140 124,-0.1 -1,-0.2 125,-0.1 125,-0.1 0.685 101.4 123.3 -52.7 -20.9 -38.0 -31.3 5.7 23 40 A S S S- 0 0 69 -3,-0.5 2,-0.7 1,-0.2 -3,-0.4 -0.216 81.4-111.1 -47.9 128.2 -39.1 -34.6 3.9 24 41 A V S S+ 0 0 128 -5,-0.1 2,-0.3 118,-0.1 -1,-0.2 0.341 81.6 117.8 -55.1 7.9 -35.9 -36.6 3.4 25 42 A E + 0 0 89 -2,-0.7 -5,-0.6 -5,-0.3 121,-0.0 -0.567 26.6 160.0 -85.0 140.3 -36.1 -36.1 -0.4 26 43 A F E -C 19 0B 91 -2,-0.3 2,-0.5 -7,-0.2 -7,-0.2 -0.347 17.8-171.2-152.8 58.6 -33.4 -34.3 -2.4 27 44 A K E +C 18 0B 118 -9,-0.6 -9,-1.7 -10,-0.1 2,-0.4 -0.417 9.3 173.3 -65.2 111.4 -33.8 -35.3 -6.0 28 45 A E + 0 0 110 -2,-0.5 2,-0.5 -11,-0.3 -11,-0.2 -0.711 4.1 179.7-125.9 80.2 -30.8 -33.9 -8.0 29 46 A L - 0 0 103 -2,-0.4 -13,-1.0 1,-0.1 -2,-0.0 -0.716 19.9-157.9 -83.8 121.6 -30.7 -35.2 -11.6 30 47 A E + 0 0 115 -2,-0.5 2,-3.1 -15,-0.2 -1,-0.1 0.717 65.3 109.5 -66.5 -22.6 -27.7 -33.8 -13.6 31 48 A V + 0 0 100 -15,-0.1 2,-0.4 -16,-0.1 -1,-0.1 -0.296 37.3 127.9 -62.7 68.7 -29.7 -34.6 -16.8 32 49 A G + 0 0 22 -2,-3.1 -18,-0.3 -18,-0.4 5,-0.1 -0.988 16.8 152.6-113.8 135.0 -30.4 -31.0 -17.7 33 50 A E - 0 0 117 -2,-0.4 -1,-0.1 -20,-0.1 -19,-0.1 0.626 69.7 -83.2-127.7 -44.5 -29.4 -30.2 -21.3 34 51 A L S > S+ 0 0 39 29,-0.0 4,-1.2 30,-0.0 3,-0.4 -0.242 131.6 40.0 163.3 -49.1 -31.7 -27.4 -22.6 35 52 A E H > S+ 0 0 103 2,-0.2 4,-1.0 1,-0.2 5,-0.5 0.739 107.4 66.8 -81.6 -30.8 -34.8 -29.3 -23.6 36 53 A S H 4 S+ 0 0 34 1,-0.2 -1,-0.2 2,-0.1 0, 0.0 0.130 111.9 33.4 -77.7 22.0 -34.3 -31.4 -20.5 37 54 A V H 4 S+ 0 0 18 -3,-0.4 -2,-0.2 -5,-0.1 -1,-0.2 0.502 106.2 60.6-140.4 -44.2 -35.1 -28.3 -18.4 38 55 A V H < S+ 0 0 66 -4,-1.2 3,-0.2 3,-0.1 -3,-0.1 0.953 128.1 12.6 -56.4 -54.4 -37.6 -26.0 -20.2 39 56 A R S >< S+ 0 0 137 -4,-1.0 3,-1.8 1,-0.2 2,-0.8 0.849 127.8 50.0 -81.4 -91.8 -40.2 -28.8 -20.1 40 57 A S T 3 S+ 0 0 60 -5,-0.5 -1,-0.2 1,-0.3 -2,-0.0 -0.315 106.0 53.1 -57.8 95.4 -39.1 -31.6 -17.8 41 58 A A T 3 S+ 0 0 25 -2,-0.8 -1,-0.3 -3,-0.2 -2,-0.1 0.090 81.6 101.0 158.7 -6.7 -38.2 -29.5 -14.7 42 59 A L < + 0 0 127 -3,-1.8 3,-0.3 2,-0.1 4,-0.3 0.955 26.0 133.0 -59.3 -94.5 -41.5 -27.7 -14.4 43 60 A A > - 0 0 39 1,-0.2 2,-3.2 2,-0.1 3,-1.2 0.900 50.2-148.3 31.5 74.8 -43.6 -29.3 -11.6 44 61 A L T 3 S+ 0 0 156 1,-0.3 -1,-0.2 3,-0.0 -2,-0.1 -0.318 83.4 72.7 -68.2 63.6 -44.6 -26.0 -9.9 45 62 A N T 3 S+ 0 0 116 -2,-3.2 2,-0.3 -3,-0.3 -1,-0.3 0.229 84.7 71.1-157.6 3.5 -44.7 -27.7 -6.5 46 63 A K S < S- 0 0 38 -3,-1.2 2,-0.6 -4,-0.3 -26,-0.2 -0.826 79.0-109.0-130.0 161.7 -41.0 -28.3 -5.7 47 64 A K E -B 19 0B 16 -28,-1.7 -28,-1.8 -2,-0.3 2,-0.4 -0.859 38.1-163.1-100.3 122.8 -37.9 -26.2 -4.8 48 65 A L E -Bd 18 120B 18 71,-0.6 73,-2.3 -2,-0.6 2,-0.5 -0.894 21.0-174.8-119.2 129.5 -35.3 -25.9 -7.6 49 66 A W E -Bd 17 121B 9 -32,-2.0 -32,-1.5 -2,-0.4 2,-0.4 -0.893 13.4-163.2-116.4 99.7 -31.6 -24.9 -7.7 50 67 A I E -Bd 16 122B 4 71,-1.5 73,-2.3 -2,-0.5 2,-0.5 -0.692 8.3-166.4 -78.9 129.3 -30.3 -24.8 -11.3 51 68 A D E -Bd 15 123B 12 -36,-2.5 -36,-1.2 -2,-0.4 2,-0.5 -0.938 6.3-170.0-128.4 106.1 -26.5 -24.9 -11.2 52 69 A V E - d 0 124B 0 71,-2.1 73,-3.1 -2,-0.5 -38,-0.2 -0.838 4.3-174.7 -98.0 129.3 -24.6 -24.0 -14.4 53 70 A V + 0 0 14 -2,-0.5 2,-0.3 -40,-0.4 -1,-0.1 0.112 63.4 55.8-115.7 22.7 -20.8 -24.7 -14.2 54 71 A G + 0 0 1 -42,-0.1 72,-0.1 3,-0.1 -1,-0.1 -0.944 43.4 174.2-154.3 132.4 -19.6 -23.2 -17.6 55 72 A V + 0 0 12 -2,-0.3 26,-0.1 71,-0.3 71,-0.1 0.224 60.6 91.9-123.9 12.4 -20.0 -19.8 -19.0 56 73 A H + 0 0 27 70,-0.1 2,-1.2 1,-0.1 -53,-0.1 0.823 68.0 82.8 -74.4 -32.1 -17.9 -20.0 -22.2 57 74 A D > - 0 0 53 1,-0.2 4,-1.7 2,-0.1 5,-0.3 -0.623 54.7-177.7 -83.1 95.6 -20.9 -21.0 -24.4 58 75 A E H > S+ 0 0 72 -2,-1.2 4,-0.7 1,-0.2 -1,-0.2 0.671 83.7 52.8 -65.3 -18.5 -22.7 -17.8 -25.3 59 76 A S H > S+ 0 0 84 2,-0.1 4,-1.3 3,-0.1 5,-0.2 0.934 107.0 48.8 -79.5 -53.9 -25.2 -19.9 -27.2 60 77 A L H >> S+ 0 0 48 1,-0.2 4,-1.9 2,-0.2 3,-1.0 0.955 116.1 39.9 -51.2 -62.8 -26.1 -22.3 -24.4 61 78 A I H 3X S+ 0 0 0 -4,-1.7 4,-3.0 1,-0.3 5,-0.2 0.836 105.9 64.3 -63.5 -36.8 -26.7 -19.8 -21.6 62 79 A A H 3X S+ 0 0 21 -4,-0.7 4,-1.1 -5,-0.3 -1,-0.3 0.845 113.5 36.3 -53.2 -35.5 -28.5 -17.2 -23.9 63 80 A K H X>S+ 0 0 1 -4,-3.0 5,-3.0 2,-0.2 3,-1.3 0.933 110.4 50.1 -67.9 -47.5 -31.8 -17.6 -19.7 66 83 A E H ><5S+ 0 0 129 -4,-1.1 3,-0.7 1,-0.3 -2,-0.2 0.903 109.3 52.3 -53.1 -46.0 -34.8 -17.6 -22.1 67 84 A F T 3<5S+ 0 0 72 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.514 116.6 39.1 -74.1 -6.2 -35.9 -21.0 -20.6 68 85 A L T <45S- 0 0 22 -3,-1.3 -1,-0.2 -4,-0.2 -2,-0.2 0.358 114.1-112.9-119.5 -1.0 -35.7 -19.5 -17.1 69 86 A G T <<5 + 0 0 41 -4,-0.9 2,-0.8 -3,-0.7 -3,-0.2 0.712 57.9 161.6 76.7 22.0 -37.2 -16.1 -18.0 70 87 A I < - 0 0 6 -5,-3.0 -1,-0.2 -6,-0.2 5,-0.2 -0.686 45.8-111.6 -80.9 109.3 -33.9 -14.3 -17.2 71 88 A H >> - 0 0 72 -2,-0.8 4,-1.8 19,-0.1 3,-0.9 0.043 21.1-118.7 -39.3 139.4 -34.0 -10.9 -19.0 72 89 A P H 3> S+ 0 0 93 0, 0.0 4,-1.8 0, 0.0 5,-0.3 0.911 111.2 60.0 -47.1 -51.9 -31.6 -10.5 -21.9 73 90 A L H 3> S+ 0 0 87 1,-0.3 4,-0.9 2,-0.2 -2,-0.1 0.775 107.6 46.3 -54.4 -32.8 -29.7 -7.6 -20.3 74 91 A A H <> S+ 0 0 0 -3,-0.9 4,-2.5 2,-0.2 -1,-0.3 0.919 106.9 58.8 -69.6 -46.5 -28.8 -9.9 -17.4 75 92 A A H X S+ 0 0 11 -4,-1.8 4,-0.8 1,-0.3 -2,-0.2 0.819 104.9 48.0 -56.6 -39.2 -27.7 -12.7 -19.7 76 93 A E H X S+ 0 0 93 -4,-1.8 4,-1.6 2,-0.2 -1,-0.3 0.857 111.7 51.6 -70.5 -33.5 -25.1 -10.7 -21.5 77 94 A D H < S+ 0 0 22 -4,-0.9 6,-0.3 -5,-0.3 -2,-0.2 0.860 102.8 57.9 -67.6 -36.8 -23.8 -9.6 -18.0 78 95 A I H < S+ 0 0 3 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.788 111.2 45.0 -59.6 -26.8 -23.7 -13.3 -17.0 79 96 A L H < S+ 0 0 1 -4,-0.8 2,-1.5 -5,-0.2 -75,-0.8 0.763 93.3 82.3 -89.7 -30.2 -21.3 -13.6 -20.0 80 97 A N B >< -a 4 0A 53 -4,-1.6 3,-1.5 1,-0.2 -1,-0.1 -0.629 61.4-172.1 -78.0 88.9 -19.2 -10.6 -19.3 81 98 A T T 3 S+ 0 0 18 -2,-1.5 -1,-0.2 -77,-0.8 -76,-0.1 0.670 79.8 62.5 -56.0 -19.4 -16.8 -12.1 -16.7 82 99 A A T 3 S+ 0 0 76 -78,-0.2 -1,-0.3 -3,-0.1 2,-0.2 -0.028 75.8 132.9-101.7 29.6 -15.5 -8.6 -16.0 83 100 A Q < - 0 0 34 -3,-1.5 2,-0.1 -6,-0.3 3,-0.1 -0.510 59.6-109.0 -77.5 149.7 -18.7 -7.1 -14.8 84 101 A R - 0 0 133 -2,-0.2 2,-0.4 1,-0.1 13,-0.1 -0.374 43.1 -89.1 -71.4 155.1 -18.9 -5.1 -11.6 85 102 A V S S+ 0 0 72 -2,-0.1 2,-0.3 11,-0.1 13,-0.2 -0.559 70.6 149.2 -68.1 119.2 -20.5 -6.5 -8.5 86 103 A K E -E 97 0B 52 11,-0.9 11,-1.8 -2,-0.4 2,-0.3 -0.902 39.7-141.3-145.9 169.7 -24.2 -5.4 -8.8 87 104 A I E -E 96 0B 80 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.992 17.7-169.9-136.3 145.1 -27.8 -6.3 -8.1 88 105 A E E -E 95 0B 54 7,-2.2 7,-2.6 -2,-0.3 2,-0.5 -0.999 20.2-139.2-140.4 140.7 -30.9 -5.8 -10.3 89 106 A D E +E 94 0B 106 -2,-0.4 5,-0.2 5,-0.2 3,-0.1 -0.839 25.2 168.6 -95.5 125.0 -34.7 -6.0 -9.8 90 107 A Y - 0 0 43 3,-1.8 -19,-0.1 -2,-0.5 2,-0.1 0.364 48.6-128.2-122.9 7.9 -36.2 -7.7 -12.9 91 108 A D S S+ 0 0 134 2,-0.1 3,-0.1 1,-0.1 -2,-0.0 -0.831 97.4 45.0-111.6 7.0 -38.8 -7.8 -11.2 92 109 A D S S+ 0 0 103 1,-0.2 26,-0.7 -23,-0.1 2,-0.3 0.499 126.2 34.5 -85.4 -10.7 -39.9 -11.5 -11.3 93 110 A H E S- F 0 117B 3 24,-0.2 -3,-1.8 -24,-0.0 2,-0.5 -0.995 73.9-138.8-142.8 143.7 -36.2 -12.3 -10.7 94 111 A L E -EF 89 116B 57 22,-3.0 22,-2.2 -2,-0.3 2,-0.5 -0.886 23.0-161.7 -96.0 128.7 -33.3 -10.7 -8.8 95 112 A F E +EF 88 115B 0 -7,-2.6 -7,-2.2 -2,-0.5 2,-0.4 -0.956 12.4 174.5-116.5 124.1 -30.1 -10.7 -10.7 96 113 A L E -EF 87 114B 19 18,-2.7 18,-2.6 -2,-0.5 2,-0.5 -0.985 21.0-150.8-131.5 142.4 -26.7 -10.3 -9.0 97 114 A V E +EF 86 113B 0 -11,-1.8 -11,-0.9 -2,-0.4 16,-0.2 -0.928 24.9 175.3-105.8 127.6 -23.1 -10.4 -10.1 98 115 A L E - F 0 112B 17 14,-1.1 14,-1.0 -2,-0.5 2,-0.3 -0.603 20.9-131.7-119.6-176.8 -20.6 -11.5 -7.5 99 116 A K E - F 0 111B 32 12,-0.2 2,-0.4 -2,-0.2 12,-0.2 -0.997 8.7-152.1-140.2 141.4 -16.9 -12.2 -7.4 100 117 A I E - F 0 110B 1 10,-3.1 10,-2.5 -2,-0.3 2,-0.7 -0.959 11.3-142.0-119.0 134.5 -14.9 -15.1 -6.0 101 118 A L E - F 0 109B 52 -2,-0.4 2,-0.7 8,-0.2 8,-0.2 -0.853 18.8-172.1-102.7 113.4 -11.3 -14.8 -4.8 102 119 A L E - F 0 108B 32 6,-3.9 6,-2.5 -2,-0.7 2,-2.2 -0.887 15.8-158.3-113.9 104.2 -9.2 -17.9 -5.6 103 120 A Y E + F 0 107B 61 -2,-0.7 2,-0.9 4,-0.2 4,-0.2 -0.472 31.8 154.9 -79.2 69.4 -5.8 -18.1 -4.2 104 121 A N S S- 0 0 84 -2,-2.2 2,-1.2 2,-0.9 -2,-0.1 -0.866 84.1 -63.8 -96.3 98.9 -4.5 -20.6 -6.8 105 122 A E S S+ 0 0 195 -2,-0.9 2,-0.2 3,-0.0 3,-0.0 -0.446 138.8 36.8 45.9 -87.1 -0.8 -19.7 -6.5 106 123 A T S S- 0 0 99 -2,-1.2 -2,-0.9 1,-0.1 2,-0.2 -0.552 112.3 -94.1 -71.4 147.8 -1.5 -16.2 -7.7 107 124 A L E -F 103 0B 72 -4,-0.2 2,-0.4 -2,-0.2 -4,-0.2 -0.486 47.6-164.6 -60.6 132.3 -4.8 -14.7 -6.6 108 125 A E E -F 102 0B 61 -6,-2.5 -6,-3.9 -2,-0.2 2,-0.6 -0.968 9.6-146.9-123.7 140.9 -7.4 -15.4 -9.2 109 126 A I E -F 101 0B 91 -2,-0.4 2,-0.2 -8,-0.2 -8,-0.2 -0.937 18.4-179.5-113.4 117.9 -10.8 -13.7 -9.5 110 127 A D E -F 100 0B 0 -10,-2.5 -10,-3.1 -2,-0.6 2,-0.3 -0.706 22.7-122.0-106.6 162.8 -13.8 -15.6 -10.8 111 128 A Q E -F 99 0B 6 -2,-0.2 15,-0.8 -12,-0.2 2,-0.3 -0.804 17.7-169.8-104.9 147.8 -17.4 -14.5 -11.4 112 129 A L E -FG 98 125B 1 -14,-1.0 -14,-1.1 -2,-0.3 2,-0.2 -0.834 8.0-162.7-137.4 98.5 -20.5 -16.0 -9.8 113 130 A S E -FG 97 124B 1 11,-1.7 11,-2.4 -2,-0.3 2,-0.4 -0.538 8.4-164.9 -75.2 144.7 -23.8 -14.8 -11.2 114 131 A L E -FG 96 123B 1 -18,-2.6 -18,-2.7 9,-0.2 2,-0.4 -1.000 7.0-170.7-135.7 136.1 -26.9 -15.5 -9.1 115 132 A V E -FG 95 122B 0 7,-2.2 7,-2.9 -2,-0.4 2,-0.5 -0.993 0.7-170.4-129.6 133.8 -30.6 -15.3 -10.1 116 133 A L E +FG 94 121B 32 -22,-2.2 -22,-3.0 -2,-0.4 2,-0.2 -0.981 13.1 162.3-126.6 116.1 -33.6 -15.6 -7.8 117 134 A K E > -FG 93 120B 56 3,-3.0 3,-1.7 -2,-0.5 2,-0.4 -0.657 61.4 -53.3-114.8-179.4 -37.2 -15.9 -9.0 118 135 A K T 3 S- 0 0 166 -26,-0.7 3,-0.1 1,-0.3 -1,-0.0 -0.405 126.3 -17.7 -61.5 112.7 -40.3 -17.1 -7.1 119 136 A N T 3 S+ 0 0 53 -2,-0.4 -71,-0.6 1,-0.1 -1,-0.3 0.930 120.1 105.2 49.4 54.7 -39.1 -20.4 -5.7 120 137 A L E < -dG 48 117B 13 -3,-1.7 -3,-3.0 -73,-0.1 2,-0.5 -0.797 46.1-170.8-162.9 119.3 -36.2 -20.7 -8.1 121 138 A V E -dG 49 116B 0 -73,-2.3 -71,-1.5 -2,-0.2 2,-0.6 -0.948 5.1-175.9-116.7 117.6 -32.4 -20.2 -7.7 122 139 A A E -dG 50 115B 0 -7,-2.9 -7,-2.2 -2,-0.5 2,-0.3 -0.934 4.3-174.2-115.2 111.6 -30.1 -20.1 -10.7 123 140 A T E -dG 51 114B 0 -73,-2.3 -71,-2.1 -2,-0.6 2,-0.4 -0.733 9.2-158.4 -99.8 152.8 -26.4 -19.9 -10.1 124 141 A F E -dG 52 113B 3 -11,-2.4 -11,-1.7 -2,-0.3 2,-0.3 -0.896 15.4-174.6-136.8 104.8 -23.8 -19.4 -12.9 125 142 A E E - G 0 112B 0 -73,-3.1 -13,-0.2 -2,-0.4 3,-0.1 -0.706 27.8-148.4-108.0 149.4 -20.2 -20.5 -12.1 126 143 A E S S- 0 0 9 -15,-0.8 -71,-0.3 -2,-0.3 2,-0.2 0.950 85.6 -2.8 -74.9 -53.9 -16.9 -20.2 -14.0 127 144 A R S S- 0 0 67 1,-0.2 3,-0.1 -73,-0.1 2,-0.1 -0.642 72.5-124.5-123.3-177.3 -15.3 -23.4 -12.5 128 145 A E S S+ 0 0 71 -2,-0.2 -1,-0.2 1,-0.1 -2,-0.1 -0.012 76.4 82.9-107.1-141.7 -16.3 -26.0 -10.0 129 146 A Y S S+ 0 0 230 -2,-0.1 -1,-0.1 2,-0.0 -2,-0.0 0.846 75.6 149.6 39.9 42.7 -14.6 -27.2 -6.8 130 147 A W - 0 0 12 -3,-0.1 -2,-0.1 1,-0.1 -1,-0.0 0.479 69.1 -90.1 -78.6-146.3 -16.2 -24.1 -5.2 131 148 A I S > S+ 0 0 54 2,-0.1 3,-1.0 1,-0.1 4,-0.4 0.298 108.7 90.9-107.8 -3.8 -17.5 -23.4 -1.7 132 149 A L T 3> + 0 0 5 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.517 59.5 94.9 -68.6 -6.0 -20.9 -24.7 -2.9 133 150 A D H 3> S+ 0 0 66 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.885 88.2 40.2 -51.2 -48.4 -19.6 -28.1 -1.6 134 151 A S H <> S+ 0 0 35 -3,-1.0 4,-2.8 2,-0.2 -1,-0.2 0.736 105.4 65.4 -75.9 -25.2 -21.3 -27.6 1.8 135 152 A I H > S+ 0 0 1 -4,-0.4 4,-1.0 2,-0.2 -2,-0.2 0.844 107.5 43.1 -67.7 -32.6 -24.4 -26.0 0.1 136 153 A R H X S+ 0 0 86 -4,-1.8 4,-1.7 2,-0.2 3,-0.5 0.944 114.2 51.3 -65.3 -52.8 -24.9 -29.5 -1.4 137 154 A S H X S+ 0 0 63 -4,-1.8 4,-1.4 1,-0.3 -2,-0.2 0.779 108.6 50.7 -57.3 -32.9 -24.0 -31.0 2.0 138 155 A R H < S+ 0 0 104 -4,-2.8 5,-0.5 2,-0.2 7,-0.3 0.815 109.9 49.2 -76.6 -32.6 -26.6 -28.8 3.8 139 156 A L H < S+ 0 0 10 -4,-1.0 -2,-0.2 -3,-0.5 -1,-0.2 0.736 106.6 59.6 -70.9 -25.9 -29.2 -29.9 1.2 140 157 A K H < S+ 0 0 130 -4,-1.7 2,-0.3 -6,-0.2 -2,-0.2 0.892 99.2 65.7 -66.3 -43.9 -28.0 -33.5 2.0 141 158 A S S < S- 0 0 59 -4,-1.4 2,-2.0 -5,-0.1 5,-0.3 -0.604 96.8-111.4 -83.4 141.5 -29.0 -33.1 5.7 142 159 A G S S+ 0 0 54 -2,-0.3 2,-0.1 3,-0.1 -3,-0.1 -0.509 72.7 126.6 -71.5 80.6 -32.6 -32.6 6.8 143 160 A G S > S- 0 0 16 -2,-2.0 4,-0.9 -5,-0.5 3,-0.4 -0.308 80.1 -69.2-119.3-159.4 -32.2 -29.0 7.9 144 161 A R H > S+ 0 0 92 1,-0.2 4,-0.9 2,-0.2 8,-0.1 0.505 115.3 80.1 -75.9 -7.8 -33.7 -25.6 7.5 145 162 A M H 4 S+ 0 0 1 -7,-0.3 3,-0.3 -4,-0.2 -1,-0.2 0.955 98.9 35.3 -58.9 -55.3 -32.3 -25.6 3.9 146 163 A R H 4 S+ 0 0 3 -3,-0.4 -125,-0.9 -5,-0.3 -2,-0.2 0.872 113.3 58.4 -69.7 -41.5 -35.1 -27.8 2.5 147 164 A K H < S+ 0 0 95 -4,-0.9 2,-0.3 -126,-0.2 -1,-0.2 0.727 101.0 68.4 -63.6 -24.7 -37.9 -26.3 4.6 148 165 A L S < S- 0 0 77 -4,-0.9 5,-0.1 -3,-0.3 -127,-0.1 -0.699 83.5-105.3-111.5 153.9 -37.3 -22.8 3.3 149 166 A A > - 0 0 19 -2,-0.3 4,-1.1 1,-0.1 3,-0.2 0.365 44.8 -85.5 -60.8-169.9 -37.7 -21.0 -0.1 150 167 A G H > S+ 0 0 2 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.833 122.4 69.3 -69.1 -33.3 -35.2 -20.0 -2.7 151 168 A D H > S+ 0 0 94 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.894 100.1 46.9 -52.2 -44.9 -34.6 -16.7 -0.8 152 169 A Y H > S+ 0 0 53 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.879 111.7 50.9 -65.8 -39.6 -33.0 -18.7 2.0 153 170 A L H X S+ 0 0 0 -4,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.963 107.5 51.7 -63.1 -50.5 -30.8 -20.6 -0.4 154 171 A A H X S+ 0 0 10 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.877 110.7 51.7 -50.4 -41.0 -29.7 -17.4 -2.2 155 172 A Y H X S+ 0 0 113 -4,-1.8 4,-2.9 -5,-0.3 -1,-0.2 0.932 104.5 54.1 -59.0 -51.2 -28.7 -16.2 1.3 156 173 A T H X S+ 0 0 11 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.849 109.1 49.4 -56.7 -39.3 -26.7 -19.3 2.2 157 174 A I H X S+ 0 0 1 -4,-2.0 4,-3.1 2,-0.2 -1,-0.2 0.952 110.9 48.6 -63.9 -52.3 -24.6 -18.8 -1.0 158 175 A L H X S+ 0 0 57 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.894 111.3 52.0 -54.5 -41.1 -24.0 -15.1 -0.2 159 176 A D H X S+ 0 0 68 -4,-2.9 4,-1.6 2,-0.2 -1,-0.2 0.858 111.6 45.8 -63.0 -38.7 -23.0 -16.2 3.4 160 177 A A H X S+ 0 0 12 -4,-1.9 4,-1.7 -5,-0.2 -2,-0.2 0.931 115.0 47.1 -69.2 -46.6 -20.5 -18.8 2.0 161 178 A V H X S+ 0 0 4 -4,-3.1 4,-0.6 1,-0.2 3,-0.4 0.960 112.4 48.7 -56.9 -55.9 -19.1 -16.3 -0.5 162 179 A V H >X S+ 0 0 71 -4,-2.9 3,-1.0 1,-0.2 4,-0.5 0.834 106.0 58.7 -57.4 -37.7 -18.8 -13.5 2.1 163 180 A D H >X S+ 0 0 92 -4,-1.6 3,-1.7 1,-0.2 4,-0.8 0.929 100.7 56.0 -54.7 -47.2 -17.0 -15.9 4.5 164 181 A S H 3X S+ 0 0 22 -4,-1.7 4,-1.7 -3,-0.4 -1,-0.2 0.663 94.9 68.0 -62.9 -17.5 -14.3 -16.5 1.9 165 182 A Y H S+ 0 0 92 -4,-1.8 4,-3.2 -5,-0.3 5,-0.8 0.997 108.5 45.0 -60.3 -72.2 9.0 -5.4 6.6 182 199 A E H <5S+ 0 0 129 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.583 115.8 52.1 -57.5 -9.3 11.6 -6.2 3.9 183 200 A V H <>S+ 0 0 60 -4,-1.2 5,-0.7 -3,-0.1 -1,-0.2 0.899 123.0 27.5 -80.5 -57.0 11.1 -2.5 2.8 184 201 A V H <5S+ 0 0 40 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.980 125.7 47.0 -65.5 -60.0 11.7 -1.1 6.3 185 202 A S T <5S+ 0 0 90 -4,-3.2 2,-2.3 1,-0.3 -3,-0.2 0.683 90.8 90.4 -54.1 -20.0 14.0 -4.1 7.4 186 203 A G T + 0 0 57 -2,-0.3 4,-0.7 1,-0.2 -1,-0.1 0.039 62.5 90.8 -95.0 18.1 8.0 6.2 8.6 193 210 A K H > S+ 0 0 141 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.672 71.0 70.0 -81.8 -23.4 6.2 7.6 5.5 194 211 A I H > S+ 0 0 39 -3,-0.3 4,-2.9 1,-0.2 -1,-0.2 0.920 103.0 41.3 -55.4 -47.0 4.7 4.1 5.0 195 212 A H H > S+ 0 0 57 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.743 108.5 58.3 -81.1 -22.3 2.5 4.6 8.1 196 213 A S H X S+ 0 0 70 -4,-0.7 4,-0.9 2,-0.2 -1,-0.2 0.929 115.8 38.5 -64.6 -44.8 1.7 8.2 7.3 197 214 A L H >X S+ 0 0 92 -4,-2.1 4,-2.4 2,-0.2 3,-0.7 0.922 109.5 60.1 -68.9 -48.0 0.3 6.9 4.1 198 215 A K H 3X S+ 0 0 69 -4,-2.9 4,-1.9 1,-0.3 -1,-0.2 0.851 108.1 46.4 -50.3 -39.2 -1.2 3.7 5.7 199 216 A R H 3X S+ 0 0 161 -4,-1.6 4,-1.6 2,-0.2 -1,-0.3 0.765 109.2 54.9 -76.6 -27.0 -3.3 6.0 7.9 200 217 A E H X S+ 0 0 26 -4,-3.4 4,-0.9 2,-0.1 3,-0.8 0.706 106.6 74.6 -99.3 -24.0 -15.9 6.4 1.7 209 226 A W T 3< S+ 0 0 204 -4,-2.9 4,-0.5 -5,-0.5 3,-0.4 0.954 103.8 36.8 -60.7 -54.4 -16.4 2.7 2.1 210 227 A P T 3> S+ 0 0 59 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.530 102.1 85.9 -70.5 -2.7 -19.8 2.8 4.0 211 228 A L H <> S+ 0 0 53 -3,-0.8 4,-2.5 1,-0.2 5,-0.3 0.946 80.8 50.9 -73.5 -52.9 -20.7 5.7 1.8 212 229 A R H X S+ 0 0 96 -4,-0.9 4,-1.2 -3,-0.4 -1,-0.2 0.840 111.5 53.5 -47.4 -36.4 -22.2 4.0 -1.3 213 230 A D H > S+ 0 0 120 -4,-0.5 4,-0.6 2,-0.2 -1,-0.2 0.914 109.0 48.0 -66.7 -45.3 -24.3 2.1 1.3 214 231 A V H >X S+ 0 0 81 -4,-1.8 3,-0.9 -3,-0.2 4,-0.6 0.914 112.1 47.5 -61.3 -47.9 -25.6 5.4 2.8 215 232 A L H 3X S+ 0 0 24 -4,-2.5 4,-0.7 1,-0.2 3,-0.3 0.757 102.1 64.1 -70.5 -24.7 -26.5 7.0 -0.5 216 233 A S H 3X S+ 0 0 14 -4,-1.2 4,-1.7 -5,-0.3 -1,-0.2 0.681 87.4 72.1 -77.6 -17.5 -28.3 4.0 -1.8 217 234 A F H - 0 0 73 -2,-0.4 2,-1.8 3,-0.4 3,-1.2 -0.980 49.4-131.2-152.6 134.9 -39.9 7.3 2.5 224 241 A E T 3 S+ 0 0 173 -2,-0.3 3,-0.1 1,-0.2 -2,-0.1 -0.652 103.1 57.7 -81.0 79.4 -42.1 10.4 3.4 225 242 A L T 3 S+ 0 0 153 -2,-1.8 2,-0.5 1,-0.3 -1,-0.2 0.105 95.9 61.6-175.8 -27.5 -39.1 12.7 3.5 226 243 A I S < S- 0 0 17 -3,-1.2 -3,-0.4 -8,-0.0 -1,-0.3 -0.985 83.3-137.5-114.0 117.0 -37.6 12.3 0.1 227 244 A G >> - 0 0 40 -2,-0.5 2,-2.5 -3,-0.1 3,-1.6 -0.439 22.4-110.9 -74.1 148.5 -40.0 13.4 -2.6 228 245 A E T 34 S+ 0 0 141 1,-0.2 -1,-0.1 2,-0.2 -6,-0.0 -0.284 115.3 54.1 -74.8 55.1 -40.4 11.3 -5.8 229 246 A E T 34 S+ 0 0 159 -2,-2.5 3,-0.3 0, 0.0 -1,-0.2 0.285 99.3 55.3-156.9 -29.5 -38.8 14.1 -7.8 230 247 A V T X> S+ 0 0 48 -3,-1.6 4,-1.7 1,-0.2 3,-0.6 0.532 83.1 89.3 -93.0 -10.6 -35.5 14.6 -5.9 231 248 A K H 3X S+ 0 0 13 -4,-0.8 4,-2.6 1,-0.2 5,-0.2 0.856 79.6 63.3 -50.1 -41.9 -34.8 10.9 -6.4 232 249 A V H 3> S+ 0 0 84 -3,-0.3 4,-1.3 1,-0.2 -1,-0.2 0.920 104.0 46.3 -46.1 -52.2 -33.1 11.9 -9.6 233 250 A Y H <> S+ 0 0 168 -3,-0.6 4,-1.5 -4,-0.2 -2,-0.2 0.904 111.4 49.6 -64.9 -44.9 -30.5 13.9 -7.7 234 251 A Y H X S+ 0 0 74 -4,-1.7 4,-2.5 1,-0.2 3,-0.3 0.920 106.4 55.2 -61.5 -47.9 -29.8 11.3 -5.1 235 252 A R H X S+ 0 0 130 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.835 106.4 55.6 -52.2 -35.6 -29.2 8.6 -7.7 236 253 A D H X S+ 0 0 75 -4,-1.3 4,-2.4 -5,-0.2 -1,-0.2 0.893 105.9 45.7 -70.2 -42.8 -26.6 10.9 -9.2 237 254 A V H X S+ 0 0 65 -4,-1.5 4,-3.1 -3,-0.3 -2,-0.2 0.926 111.8 55.9 -62.9 -43.9 -24.5 11.4 -6.1 238 255 A Y H X S+ 0 0 37 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.923 107.2 48.4 -48.4 -50.6 -24.8 7.6 -5.8 239 256 A D H X S+ 0 0 56 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.920 110.6 50.0 -57.4 -48.0 -23.3 7.3 -9.3 240 257 A H H X S+ 0 0 102 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.910 112.4 48.8 -56.1 -44.2 -20.5 9.7 -8.4 241 258 A A H X S+ 0 0 12 -4,-3.1 4,-0.8 1,-0.2 -2,-0.2 0.881 106.5 55.8 -62.9 -41.6 -19.8 7.6 -5.3 242 259 A V H >< S+ 0 0 22 -4,-2.6 3,-0.5 1,-0.2 -1,-0.2 0.896 108.5 48.7 -58.3 -42.6 -19.9 4.4 -7.3 243 260 A R H >< S+ 0 0 154 -4,-2.0 3,-1.7 1,-0.2 -1,-0.2 0.778 92.1 77.9 -71.4 -29.9 -17.1 5.7 -9.6 244 261 A L H 3< S+ 0 0 89 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.880 106.8 31.2 -43.6 -48.4 -14.9 6.9 -6.7 245 262 A M T << 0 0 130 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.1 -0.339 360.0 360.0-112.5 48.9 -13.7 3.4 -6.2 246 263 A E < 0 0 137 -3,-1.7 -3,-0.1 -2,-0.1 -4,-0.0 -0.737 360.0 360.0-130.1 360.0 -13.9 2.0 -9.7