==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 24-JAN-13 4IWW . COMPND 2 MOLECULE: UNNATURAL AMINO ACID MEDIATED METALLOPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR J.MILLS,J.BOLDUC,S.KHARE,B.STODDARD,D.BAKER . 492 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21312.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 350 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 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 . 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 . 44 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 158 32.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 0 2 3 1 2 5 5 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 6 4 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 2 A P 0 0 47 0, 0.0 135,-0.3 0, 0.0 134,-0.1 0.000 360.0 360.0 360.0 166.7 -4.4 7.7 7.7 2 3 A R - 0 0 102 133,-1.6 2,-0.6 132,-0.2 135,-0.1 -0.019 360.0 -69.9 -73.8-176.8 -4.1 6.3 4.1 3 4 A Y + 0 0 174 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.732 63.6 179.2 -78.5 126.0 -6.9 5.0 1.9 4 5 A L - 0 0 9 -2,-0.6 2,-0.2 -3,-0.1 131,-0.0 -0.914 18.2-149.3-131.4 154.0 -8.1 1.6 3.3 5 6 A K >> - 0 0 135 -2,-0.3 4,-1.2 4,-0.1 3,-0.8 -0.730 53.6 -11.9-111.7 161.5 -10.6 -1.1 2.5 6 7 A G H 3> S- 0 0 53 -2,-0.2 4,-1.9 1,-0.2 3,-0.3 -0.060 120.3 -7.5 60.5-143.9 -12.6 -3.6 4.6 7 8 A W H 3> S+ 0 0 34 1,-0.2 4,-2.6 177,-0.2 -1,-0.2 0.781 130.6 59.8 -61.9 -32.0 -11.9 -4.4 8.2 8 9 A L H <> S+ 0 0 2 -3,-0.8 4,-2.4 176,-0.2 -1,-0.2 0.930 106.0 47.2 -64.4 -45.6 -8.7 -2.3 8.3 9 10 A E H X S+ 0 0 79 -4,-1.2 4,-2.5 -3,-0.3 -2,-0.2 0.915 113.0 50.7 -60.1 -44.1 -10.6 0.9 7.3 10 11 A D H X S+ 0 0 56 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.891 111.1 47.2 -60.5 -41.4 -13.2 -0.0 10.0 11 12 A V H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.855 111.2 52.1 -72.3 -32.0 -10.5 -0.5 12.7 12 13 A V H X S+ 0 0 2 -4,-2.4 4,-2.1 2,-0.2 3,-0.3 0.987 111.0 46.0 -64.1 -55.1 -8.8 2.8 11.7 13 14 A Q H X S+ 0 0 104 -4,-2.5 4,-0.6 1,-0.3 -2,-0.2 0.885 115.4 47.7 -54.8 -43.7 -12.1 4.8 12.0 14 15 A L H >< S+ 0 0 42 -4,-2.1 3,-0.6 1,-0.2 -1,-0.3 0.834 108.5 54.3 -63.5 -37.0 -12.9 3.1 15.3 15 16 A S H >< S+ 0 0 2 -4,-1.9 3,-1.9 -3,-0.3 -2,-0.2 0.869 98.8 62.8 -69.8 -34.3 -9.4 3.7 16.6 16 17 A L H 3< S+ 0 0 55 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.782 106.6 45.7 -59.1 -28.7 -9.7 7.4 15.9 17 18 A R T << S+ 0 0 179 -4,-0.6 -1,-0.3 -3,-0.6 -2,-0.2 0.219 81.0 137.2-101.2 13.8 -12.6 7.5 18.4 18 19 A R < - 0 0 11 -3,-1.9 2,-0.2 1,-0.1 -3,-0.1 -0.415 58.8-119.3 -60.9 125.4 -10.7 5.5 21.1 19 20 A P - 0 0 95 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.488 28.2-126.8 -70.0 135.8 -11.3 7.0 24.5 20 21 A S - 0 0 44 -2,-0.2 2,-0.3 1,-0.1 97,-0.1 -0.369 18.6-125.3 -77.1 160.2 -8.1 8.2 26.2 21 22 A V - 0 0 25 95,-0.3 102,-0.1 -2,-0.1 -1,-0.1 -0.724 8.6-156.0-106.6 156.7 -7.1 7.1 29.7 22 23 A R + 0 0 198 -2,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.214 49.5 131.5-116.2 15.1 -6.1 9.3 32.7 23 24 A A - 0 0 30 1,-0.1 2,-0.4 97,-0.0 101,-0.1 -0.193 54.1-128.1 -56.3 154.3 -4.1 6.7 34.5 24 25 A S - 0 0 102 100,-0.1 2,-0.3 98,-0.0 -1,-0.1 -0.937 18.7-114.3-109.9 138.7 -0.7 7.9 35.7 25 26 A R - 0 0 35 -2,-0.4 99,-0.1 1,-0.1 98,-0.1 -0.569 27.3-174.3 -72.8 127.8 2.6 6.1 34.9 26 27 A Q + 0 0 154 -2,-0.3 -1,-0.1 97,-0.1 97,-0.0 -0.178 62.3 41.8-117.1 39.0 4.2 4.7 38.1 27 28 A R S S- 0 0 62 3,-0.0 3,-0.1 0, 0.0 98,-0.1 -0.884 84.8 -97.7 177.8 138.7 7.6 3.3 36.7 28 29 A P - 0 0 103 0, 0.0 2,-0.5 0, 0.0 -2,-0.1 -0.097 51.7 -82.6 -63.8 167.4 10.3 4.4 34.2 29 30 A I - 0 0 45 122,-0.1 2,-0.8 76,-0.0 98,-0.1 -0.640 35.0-158.5 -65.9 119.5 10.5 3.3 30.6 30 31 A I - 0 0 62 -2,-0.5 76,-0.2 74,-0.1 2,-0.1 -0.895 28.3-129.8 -96.1 99.9 12.3 -0.1 30.4 31 32 A S > - 0 0 22 -2,-0.8 4,-1.7 1,-0.1 5,-0.1 -0.286 18.0-160.3 -62.2 123.2 13.4 0.1 26.8 32 33 A L H > S+ 0 0 1 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.937 90.3 49.3 -66.8 -50.1 12.5 -2.9 24.6 33 34 A N H > S+ 0 0 22 121,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.849 111.2 50.9 -62.6 -34.6 15.1 -2.3 21.8 34 35 A E H > S+ 0 0 120 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.892 108.6 50.5 -69.7 -38.8 17.9 -1.8 24.4 35 36 A R H X S+ 0 0 53 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.848 106.9 55.5 -67.1 -34.8 17.1 -5.1 26.2 36 37 A I H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.910 108.8 46.9 -60.5 -46.7 17.1 -6.9 22.9 37 38 A L H X S+ 0 0 62 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.882 111.1 52.9 -60.3 -43.3 20.7 -5.6 22.3 38 39 A E H X S+ 0 0 94 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.934 110.4 47.2 -55.6 -49.5 21.5 -6.6 25.9 39 40 A F H <>S+ 0 0 11 -4,-2.9 5,-3.2 1,-0.2 -2,-0.2 0.861 107.8 56.3 -60.9 -40.6 20.3 -10.2 25.1 40 41 A N H ><5S+ 0 0 17 -4,-2.2 3,-1.1 3,-0.2 -1,-0.2 0.897 107.4 48.7 -58.7 -42.9 22.2 -10.3 21.8 41 42 A K H 3<5S+ 0 0 155 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.816 113.1 46.1 -72.4 -24.8 25.5 -9.6 23.7 42 43 A R T 3<5S- 0 0 144 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.341 114.6-120.2 -93.9 8.1 24.8 -12.2 26.3 43 44 A N T < 5 + 0 0 137 -3,-1.1 2,-0.5 1,-0.2 -3,-0.2 0.885 62.3 147.4 52.2 42.7 23.8 -14.6 23.5 44 45 A I < - 0 0 56 -5,-3.2 -1,-0.2 -6,-0.1 2,-0.2 -0.956 56.3-114.2-104.1 124.4 20.3 -15.1 24.8 45 46 A T - 0 0 26 -2,-0.5 2,-0.8 201,-0.4 183,-0.1 -0.406 31.0-140.7 -54.0 119.0 17.6 -15.7 22.2 46 47 A A + 0 0 0 181,-0.5 183,-1.9 -2,-0.2 2,-0.5 -0.823 26.0 176.6 -93.6 104.5 15.4 -12.6 22.5 47 48 A I E -a 229 0A 0 -2,-0.8 30,-2.9 28,-0.3 31,-1.0 -0.941 22.4-152.3-111.2 129.5 11.7 -13.5 22.1 48 49 A I E -ab 230 78A 0 181,-3.6 183,-2.4 -2,-0.5 2,-0.4 -0.911 21.8-149.0 -95.0 110.0 8.8 -11.0 22.4 49 50 A A E -ab 231 79A 1 29,-1.8 31,-2.6 -2,-0.7 2,-0.4 -0.721 10.9-143.2 -85.9 132.6 5.9 -13.1 23.6 50 51 A E E - b 0 80A 11 181,-2.8 2,-0.7 -2,-0.4 31,-0.2 -0.792 9.4-152.0-105.2 134.2 2.5 -11.9 22.4 51 52 A Y E + b 0 81A 13 29,-3.3 31,-2.0 -2,-0.4 2,-0.4 -0.910 31.9 157.9-101.7 111.9 -0.8 -11.9 24.3 52 53 A K - 0 0 43 -2,-0.7 37,-0.1 29,-0.1 3,-0.1 -0.971 23.3-177.1-143.6 113.7 -3.6 -12.1 21.6 53 54 A R S S- 0 0 68 35,-0.8 8,-3.2 -2,-0.4 2,-0.3 0.688 72.3 -5.0 -84.3 -21.7 -7.1 -13.4 22.4 54 55 A K + 0 0 80 34,-0.6 -1,-0.2 6,-0.3 6,-0.1 -0.977 57.3 178.8-169.5 151.3 -8.5 -13.1 18.9 55 56 A S > - 0 0 17 3,-0.4 3,-0.6 -2,-0.3 33,-0.1 -0.954 41.7-108.2-161.6 163.4 -7.7 -11.9 15.4 56 57 A P T 3 S+ 0 0 32 0, 0.0 -1,-0.1 0, 0.0 32,-0.1 0.786 118.5 32.9 -63.6 -28.1 -9.3 -11.9 12.0 57 58 A S T 3 S+ 0 0 17 2,-0.1 2,-0.2 392,-0.1 363,-0.1 0.398 116.7 52.1-109.4 -0.0 -7.0 -14.6 10.6 58 59 A G S < S- 0 0 17 -3,-0.6 -3,-0.4 390,-0.1 2,-0.3 -0.514 86.1 -71.0-130.3-170.4 -6.3 -16.8 13.6 59 60 A L - 0 0 13 -2,-0.2 2,-0.1 -5,-0.1 -2,-0.1 -0.648 42.1-112.7 -95.7 144.8 -7.9 -18.7 16.5 60 61 A D - 0 0 109 -2,-0.3 2,-0.3 -6,-0.1 -6,-0.3 -0.472 34.0-170.8 -64.0 142.7 -9.7 -17.4 19.5 61 62 A V - 0 0 28 -8,-3.2 2,-0.6 -2,-0.1 176,-0.0 -0.934 12.8-165.5-143.9 115.8 -7.9 -18.0 22.9 62 63 A E + 0 0 165 -2,-0.3 2,-0.3 2,-0.0 -9,-0.0 -0.899 31.6 139.8 -93.7 123.9 -9.2 -17.5 26.4 63 64 A R - 0 0 77 -2,-0.6 -2,-0.1 0, 0.0 3,-0.0 -0.972 59.2 -86.4-157.8 157.4 -6.5 -17.5 29.1 64 65 A D > - 0 0 76 -2,-0.3 4,-1.6 1,-0.2 5,-0.1 -0.426 32.9-156.3 -62.8 123.2 -5.5 -15.8 32.3 65 66 A P H > S+ 0 0 34 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.851 90.4 50.6 -72.3 -33.6 -3.4 -12.7 31.2 66 67 A I H > S+ 0 0 46 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.915 110.5 47.6 -72.9 -45.5 -1.5 -12.5 34.6 67 68 A E H > S+ 0 0 140 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.913 115.1 47.9 -58.2 -43.1 -0.6 -16.2 34.7 68 69 A Y H X S+ 0 0 6 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.930 114.3 45.3 -63.2 -46.4 0.6 -15.8 31.1 69 70 A A H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.914 112.6 49.4 -65.7 -45.5 2.6 -12.7 31.7 70 71 A K H < S+ 0 0 109 -4,-2.7 4,-0.4 2,-0.2 -1,-0.2 0.870 113.2 47.7 -65.3 -37.9 4.2 -13.9 34.9 71 72 A F H >< S+ 0 0 30 -4,-2.0 3,-1.6 -5,-0.2 4,-0.3 0.963 112.6 48.2 -61.9 -53.1 5.3 -17.2 33.2 72 73 A M H >X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.3 3,-1.9 0.770 95.4 75.1 -59.2 -30.4 6.7 -15.3 30.2 73 74 A E T 3< S+ 0 0 61 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.763 91.7 56.4 -52.5 -31.7 8.6 -12.9 32.5 74 75 A R T <4 S+ 0 0 167 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.731 125.3 15.0 -71.9 -23.9 11.0 -15.7 33.1 75 76 A Y T <4 S+ 0 0 70 -3,-1.9 -28,-0.3 -4,-0.3 -2,-0.2 0.755 101.4 83.9-124.3 -42.6 11.9 -16.2 29.4 76 77 A A < - 0 0 1 -4,-3.1 -28,-0.2 1,-0.1 3,-0.1 -0.255 62.1-139.3 -78.2 158.8 10.8 -13.4 27.0 77 78 A V S S- 0 0 0 -30,-2.9 2,-0.3 1,-0.3 -29,-0.2 0.630 85.3 -21.7 -87.0 -17.0 12.7 -10.2 26.3 78 79 A G E -b 48 0A 0 -31,-1.0 -29,-1.8 26,-0.1 2,-0.4 -0.977 67.1-106.4-173.9 175.4 9.4 -8.4 26.3 79 80 A L E -bc 49 106A 4 26,-2.6 28,-3.2 -2,-0.3 2,-0.5 -0.954 13.9-153.4-122.7 141.6 5.7 -8.7 26.0 80 81 A S E -bc 50 107A 0 -31,-2.6 -29,-3.3 -2,-0.4 2,-0.5 -0.968 17.3-169.3-111.6 130.7 3.4 -7.7 23.2 81 82 A I E -bc 51 108A 1 26,-2.4 28,-2.3 -2,-0.5 2,-0.3 -0.966 16.8-136.7-131.7 111.1 -0.1 -7.0 24.4 82 83 A L E + c 0 109A 8 -31,-2.0 9,-0.9 -2,-0.5 28,-0.2 -0.487 24.7 171.7 -64.9 124.3 -3.0 -6.4 22.0 83 84 A T + 0 0 0 26,-2.7 2,-0.3 7,-0.3 9,-0.2 0.358 39.4 117.2-114.1 2.1 -5.2 -3.5 23.1 84 85 A E - 0 0 1 25,-0.8 6,-3.5 1,-0.1 4,-0.3 -0.592 48.8-162.5 -73.3 130.7 -7.5 -3.4 20.0 85 86 A E S > S+ 0 0 99 -2,-0.3 4,-0.8 4,-0.3 -1,-0.1 0.917 70.6 42.9 -82.8 -51.1 -11.0 -4.2 21.2 86 87 A K T 4 S+ 0 0 110 1,-0.2 -1,-0.1 2,-0.2 -2,-0.0 0.901 127.3 19.5 -73.9 -47.0 -13.2 -5.2 18.3 87 88 A Y T 4 S+ 0 0 51 1,-0.1 -1,-0.2 -33,-0.1 -2,-0.1 0.692 135.7 33.2 -98.9 -25.6 -11.1 -7.6 16.2 88 89 A F T 4 S- 0 0 19 -4,-0.3 -35,-0.8 -33,-0.1 -34,-0.6 0.364 94.0-132.0-116.1 -0.4 -8.4 -8.6 18.7 89 90 A N < + 0 0 72 -4,-0.8 -4,-0.3 1,-0.2 -3,-0.1 0.812 54.7 149.4 49.0 39.4 -10.5 -8.6 21.9 90 91 A G - 0 0 11 -6,-3.5 2,-0.3 -38,-0.0 -7,-0.3 -0.356 29.8-156.2 -91.0 176.9 -7.9 -6.6 23.7 91 92 A S > - 0 0 39 -9,-0.9 4,-1.6 -2,-0.1 -7,-0.1 -0.988 29.6-134.2-157.1 142.8 -8.2 -4.0 26.5 92 93 A Y H > S+ 0 0 15 -2,-0.3 4,-2.4 -9,-0.2 -1,-0.1 0.816 110.5 58.3 -58.1 -35.1 -6.4 -1.1 28.0 93 94 A E H > S+ 0 0 89 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.824 102.9 52.0 -70.0 -32.7 -7.2 -2.7 31.4 94 95 A T H > S+ 0 0 34 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.944 111.6 45.0 -68.5 -48.1 -5.4 -5.8 30.5 95 96 A L H X S+ 0 0 0 -4,-1.6 4,-3.1 2,-0.2 -2,-0.2 0.917 113.8 52.2 -56.3 -45.4 -2.3 -4.0 29.5 96 97 A R H X S+ 0 0 104 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.928 113.5 41.6 -59.5 -50.7 -2.6 -1.8 32.6 97 98 A K H < S+ 0 0 119 -4,-2.8 4,-0.5 2,-0.2 -1,-0.2 0.890 115.8 50.4 -66.0 -42.1 -2.8 -4.9 35.0 98 99 A I H >X S+ 0 0 1 -4,-2.9 3,-1.7 1,-0.2 4,-1.3 0.953 108.6 51.7 -60.1 -47.8 -0.1 -6.8 33.1 99 100 A A H 3< S+ 0 0 8 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.788 109.1 50.2 -63.0 -29.0 2.4 -3.8 33.2 100 101 A S T 3< S+ 0 0 73 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.544 111.3 51.7 -82.8 -8.9 1.9 -3.4 36.9 101 102 A S T <4 S+ 0 0 51 -3,-1.7 2,-0.3 -4,-0.5 -2,-0.2 0.653 110.3 40.6-101.6 -25.8 2.6 -7.2 37.4 102 103 A V < - 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0 0 47 -2,-0.3 4,-3.0 1,-0.1 5,-0.2 -0.450 40.4-106.5 -67.1 156.8 0.7 8.5 5.6 138 139 A E H > S+ 0 0 57 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.869 123.0 50.6 -54.1 -38.7 4.5 9.0 5.6 139 140 A R H > S+ 0 0 190 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.917 111.2 45.7 -65.0 -48.7 4.0 12.4 7.4 140 141 A E H > S+ 0 0 51 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.884 110.8 56.4 -59.3 -39.4 1.7 10.9 10.1 141 142 A L H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.953 109.9 43.3 -60.4 -50.7 4.2 8.1 10.5 142 143 A E H X S+ 0 0 76 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.877 113.0 51.4 -67.2 -37.2 7.1 10.5 11.2 143 144 A S H X S+ 0 0 50 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.900 114.2 43.0 -62.1 -42.3 5.0 12.8 13.6 144 145 A L H X S+ 0 0 10 -4,-2.3 4,-3.2 2,-0.2 -2,-0.2 0.875 110.2 58.4 -75.8 -36.8 3.8 9.9 15.7 145 146 A L H X S+ 0 0 1 -4,-2.3 4,-2.3 -5,-0.3 -2,-0.2 0.950 112.1 38.9 -47.7 -57.2 7.4 8.4 15.6 146 147 A E H X S+ 0 0 119 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.833 112.3 57.5 -69.1 -33.2 8.8 11.6 17.2 147 148 A Y H X S+ 0 0 54 -4,-1.9 4,-0.6 2,-0.2 -2,-0.2 0.946 109.1 46.3 -60.7 -47.0 5.8 11.9 19.5 148 149 A A H ><>S+ 0 0 0 -4,-3.2 5,-2.0 1,-0.2 3,-1.3 0.925 111.1 52.9 -54.3 -48.8 6.6 8.4 20.7 149 150 A R H ><5S+ 0 0 57 -4,-2.3 3,-2.6 1,-0.3 -2,-0.2 0.850 97.2 65.1 -58.3 -37.3 10.3 9.4 21.0 150 151 A S H 3<5S+ 0 0 92 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.728 102.7 49.7 -62.1 -22.5 9.3 12.5 23.1 151 152 A Y T <<5S- 0 0 58 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.441 127.4-102.4 -86.1 -4.0 8.2 10.0 25.8 152 153 A G T < 5S+ 0 0 50 -3,-2.6 2,-0.5 1,-0.3 -3,-0.2 0.700 80.2 135.2 84.2 21.2 11.5 8.1 25.5 153 154 A M < - 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0 0 31 -3,-0.7 -3,-0.2 -4,-0.4 -4,-0.1 0.793 38.6-173.6 82.4 32.6 15.0 6.7 10.1 173 174 A A < - 0 0 5 -5,-2.7 -1,-0.2 1,-0.2 3,-0.1 -0.328 5.3-172.9 -48.1 128.3 13.2 3.9 11.9 174 175 A R S S+ 0 0 136 1,-0.3 31,-2.8 -19,-0.2 2,-0.4 0.487 75.2 47.6-103.0 -6.4 15.8 2.4 14.3 175 176 A F E S- f 0 205A 0 -20,-0.3 -18,-2.3 29,-0.2 2,-0.4 -0.904 75.8-177.9-143.4 100.4 13.6 -0.4 15.4 176 177 A I E -ef 157 206A 0 29,-2.4 31,-2.8 -2,-0.4 2,-0.6 -0.889 19.4-151.5-118.2 135.1 11.8 -2.4 12.6 177 178 A G E -ef 158 207A 0 -20,-2.1 -18,-2.8 -2,-0.4 2,-1.1 -0.914 8.2-155.0-102.7 113.8 9.4 -5.3 12.6 178 179 A I E -ef 159 208A 2 29,-3.0 31,-2.6 -2,-0.6 2,-0.4 -0.788 21.9-170.9 -85.8 97.3 9.5 -7.5 9.5 179 180 A S E - f 0 209A 6 -20,-2.5 31,-0.2 -2,-1.1 10,-0.0 -0.780 26.2-155.1 -95.1 135.8 6.0 -8.9 9.5 180 181 A S S S+ 0 0 10 29,-1.8 9,-3.5 -2,-0.4 2,-0.5 0.522 73.8 87.5 -81.9 -5.2 5.0 -11.7 7.1 181 182 A Q B -I 188 0C 39 28,-0.4 2,-0.7 7,-0.2 7,-0.2 -0.840 64.7-151.7-106.5 123.3 1.3 -10.5 7.4 182 183 A D > - 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