==== 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 4IX0 . 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 . 246 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11211.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 13.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.6 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 . 1 0.4 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 . 16 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 32.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 1 1 0 1 2 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 2 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 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 1 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 39 0, 0.0 135,-0.3 0, 0.0 134,-0.1 0.000 360.0 360.0 360.0 169.2 12.7 20.4 5.5 2 3 A R - 0 0 74 133,-1.9 2,-0.4 1,-0.1 135,-0.1 -0.361 360.0 -94.5 -66.2 159.4 9.6 18.8 3.9 3 4 A Y - 0 0 227 -2,-0.1 2,-0.2 133,-0.0 -1,-0.1 -0.695 57.5-177.0 -76.4 136.1 6.3 19.3 5.7 4 5 A L - 0 0 31 -2,-0.4 2,-0.3 2,-0.1 131,-0.0 -0.722 18.5-128.4-128.9 168.7 6.0 16.2 7.9 5 6 A K >> - 0 0 191 -2,-0.2 4,-1.0 4,-0.0 3,-0.5 -0.923 57.1 -20.9-119.1 153.4 3.4 14.8 10.3 6 7 A G H 3> S+ 0 0 58 -2,-0.3 4,-2.1 1,-0.2 3,-0.2 -0.144 119.6 0.0 68.5-141.3 3.6 13.4 13.9 7 8 A W H 3> S+ 0 0 46 1,-0.2 4,-2.8 177,-0.2 -1,-0.2 0.913 132.4 52.8 -60.6 -42.5 6.8 12.2 15.6 8 9 A L H <> S+ 0 0 4 -3,-0.5 4,-1.8 176,-0.3 -1,-0.2 0.899 109.5 48.8 -56.8 -41.5 9.0 12.9 12.6 9 10 A E H X S+ 0 0 70 -4,-1.0 4,-2.4 -3,-0.2 -1,-0.2 0.928 109.3 52.7 -66.8 -39.7 7.8 16.5 12.3 10 11 A D H X S+ 0 0 53 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.949 110.1 47.6 -58.6 -51.1 8.4 17.0 16.0 11 12 A V H X S+ 0 0 0 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.829 109.2 53.3 -60.2 -34.7 12.0 15.8 15.7 12 13 A V H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.892 109.3 50.3 -70.0 -38.1 12.7 18.0 12.6 13 14 A Q H X S+ 0 0 87 -4,-2.4 4,-1.2 -5,-0.2 3,-0.5 0.985 110.1 48.9 -60.9 -49.4 11.4 20.9 14.7 14 15 A L H < S+ 0 0 37 -4,-2.9 3,-0.4 1,-0.2 -2,-0.2 0.887 111.8 52.9 -48.5 -39.2 13.8 20.0 17.6 15 16 A S H >< S+ 0 0 2 -4,-1.9 3,-1.2 1,-0.3 -1,-0.2 0.821 99.8 57.0 -76.6 -33.9 16.5 19.7 15.0 16 17 A L H 3< S+ 0 0 69 -4,-1.9 -1,-0.3 -3,-0.5 -2,-0.2 0.722 112.1 45.6 -65.7 -25.4 16.2 23.2 13.4 17 18 A R T 3< S+ 0 0 185 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.365 82.8 129.4-102.2 9.3 16.6 24.7 16.9 18 19 A R < - 0 0 19 -3,-1.2 2,-0.2 -4,-0.1 -3,-0.1 -0.449 62.0-117.9 -70.6 122.9 19.7 22.5 17.9 19 20 A P - 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.389 29.5-130.9 -69.1 130.8 22.6 24.5 19.3 20 21 A S - 0 0 46 -2,-0.2 2,-0.2 1,-0.1 97,-0.1 -0.226 18.6-123.0 -79.9 173.7 25.8 24.1 17.2 21 22 A V - 0 0 29 95,-0.3 2,-0.5 2,-0.1 102,-0.1 -0.705 6.8-147.0-123.4 156.2 29.2 23.3 18.6 22 23 A R + 0 0 203 -2,-0.2 2,-0.3 101,-0.1 98,-0.0 -0.974 42.3 122.9-130.4 118.3 32.7 24.9 18.5 23 24 A A - 0 0 42 -2,-0.5 2,-0.5 2,-0.0 101,-0.1 -0.946 55.3-119.4-163.2 152.1 35.7 22.7 18.5 24 25 A S - 0 0 85 -2,-0.3 2,-0.2 100,-0.1 -2,-0.0 -0.895 38.2-118.2 -97.7 131.9 38.7 22.1 16.3 25 26 A R - 0 0 28 -2,-0.5 2,-0.1 1,-0.1 98,-0.1 -0.455 24.4-167.4 -71.2 135.2 38.8 18.6 15.0 26 27 A Q + 0 0 169 -2,-0.2 -1,-0.1 97,-0.2 97,-0.0 -0.457 62.6 55.6-122.9 59.5 41.9 16.7 16.2 27 28 A R S S- 0 0 46 -2,-0.1 2,-0.1 76,-0.0 98,-0.1 -0.930 83.1 -95.2-177.8 154.5 41.7 13.7 14.0 28 29 A P - 0 0 92 0, 0.0 2,-0.7 0, 0.0 -2,-0.1 -0.432 38.3-102.4 -78.4 158.8 41.5 12.8 10.3 29 30 A I - 0 0 51 -2,-0.1 2,-0.6 122,-0.1 98,-0.1 -0.780 37.4-164.8 -68.1 114.3 38.5 12.1 8.1 30 31 A I - 0 0 44 -2,-0.7 2,-0.3 74,-0.1 76,-0.3 -0.962 25.6-124.3-103.9 109.6 38.7 8.2 8.0 31 32 A S > - 0 0 26 -2,-0.6 4,-1.6 1,-0.2 5,-0.2 -0.429 20.9-163.3 -71.3 118.2 36.3 7.5 5.1 32 33 A L H > S+ 0 0 0 -2,-0.3 4,-1.7 95,-0.2 -1,-0.2 0.899 89.1 50.4 -65.7 -41.1 33.5 5.1 6.0 33 34 A N H > S+ 0 0 31 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.914 110.2 48.2 -68.2 -38.3 32.6 4.3 2.4 34 35 A E H > S+ 0 0 112 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.860 109.8 52.3 -69.3 -36.4 36.2 3.4 1.3 35 36 A R H X S+ 0 0 58 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.858 107.9 52.5 -66.7 -36.9 36.8 1.2 4.2 36 37 A I H X S+ 0 0 0 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.954 109.9 47.0 -65.8 -49.3 33.6 -0.6 3.3 37 38 A L H >X S+ 0 0 73 -4,-2.3 4,-2.3 2,-0.2 3,-1.0 0.956 109.8 55.4 -48.0 -54.9 35.0 -1.0 -0.2 38 39 A E H 3X S+ 0 0 91 -4,-3.2 4,-1.8 1,-0.3 -2,-0.2 0.902 107.6 48.8 -44.5 -50.3 38.3 -2.2 1.4 39 40 A F H 3<>S+ 0 0 13 -4,-2.6 5,-1.5 1,-0.2 -1,-0.3 0.667 107.4 55.5 -66.4 -22.2 36.4 -5.0 3.4 40 41 A N H X<5S+ 0 0 30 -4,-1.3 3,-1.4 -3,-1.0 -2,-0.2 0.897 104.2 53.5 -73.0 -43.3 34.7 -6.1 0.1 41 42 A K H 3<5S+ 0 0 178 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.1 0.950 115.7 40.1 -47.2 -51.8 38.1 -6.5 -1.5 42 43 A R T 3<5S- 0 0 156 -4,-1.8 -1,-0.2 2,-0.1 -2,-0.2 0.252 108.5-122.0 -83.1 10.8 39.1 -8.9 1.5 43 44 A N T < 5 + 0 0 128 -3,-1.4 2,-0.6 1,-0.2 -3,-0.2 0.762 60.6 148.3 37.0 36.7 35.8 -10.6 1.8 44 45 A I < - 0 0 58 -5,-1.5 -1,-0.2 -6,-0.1 -2,-0.1 -0.851 58.1-110.6 -87.3 119.8 35.4 -9.5 5.5 45 46 A T - 0 0 21 201,-0.6 2,-0.7 -2,-0.6 183,-0.1 -0.290 34.6-138.7 -50.0 124.9 31.6 -9.0 6.3 46 47 A A + 0 0 2 181,-0.3 183,-2.5 30,-0.1 2,-0.4 -0.838 26.4 178.7-106.2 110.0 31.4 -5.2 6.8 47 48 A I E -a 229 0A 0 -2,-0.7 30,-3.1 28,-0.3 31,-1.2 -0.915 23.9-151.5-119.3 127.3 29.2 -4.2 9.7 48 49 A I E -ab 230 78A 0 181,-3.6 183,-2.4 -2,-0.4 2,-0.5 -0.899 21.7-148.9 -95.0 101.7 28.4 -0.7 10.9 49 50 A A E -ab 231 79A 0 29,-1.8 31,-2.5 -2,-0.8 2,-0.4 -0.623 11.3-148.2 -73.6 123.0 27.7 -1.1 14.7 50 51 A E E - b 0 80A 13 181,-2.8 2,-0.7 -2,-0.5 31,-0.2 -0.775 4.7-151.9 -91.8 134.5 25.2 1.4 15.8 51 52 A Y E + b 0 81A 4 29,-3.3 31,-2.1 -2,-0.4 2,-0.3 -0.953 35.0 146.4-101.4 109.3 25.4 2.9 19.4 52 53 A K - 0 0 31 -2,-0.7 9,-0.1 29,-0.2 37,-0.1 -0.874 34.5-167.2-145.7 118.0 21.8 4.0 20.5 53 54 A R S S+ 0 0 49 35,-0.4 8,-2.3 -2,-0.3 2,-0.3 0.814 80.7 22.5 -68.3 -32.2 20.4 3.9 24.0 54 55 A K B -H 60 0B 73 34,-1.8 6,-0.2 6,-0.2 -1,-0.1 -0.993 58.2-176.9-140.0 147.4 16.8 4.5 22.8 55 56 A S > - 0 0 9 4,-1.4 3,-2.5 -2,-0.3 33,-0.1 -0.983 39.9-118.8-133.4 150.8 14.7 4.1 19.5 56 57 A P T 3 S+ 0 0 45 0, 0.0 32,-0.1 0, 0.0 -1,-0.0 0.771 113.3 71.2 -58.8 -22.2 11.0 5.0 18.8 57 58 A S T 3 S- 0 0 72 1,-0.1 -3,-0.0 -3,-0.0 129,-0.0 0.334 125.5 -97.1 -68.5 0.0 10.6 1.2 18.2 58 59 A G S < S+ 0 0 60 -3,-2.5 -1,-0.1 1,-0.3 2,-0.0 0.354 71.9 147.1 96.4 -5.7 11.0 0.7 22.0 59 60 A L + 0 0 16 -4,-0.1 -4,-1.4 1,-0.1 -1,-0.3 -0.406 18.1 173.2 -51.8 136.5 14.7 -0.2 22.5 60 61 A D B +H 54 0B 121 -6,-0.2 2,-0.3 2,-0.0 -6,-0.2 -0.608 10.6 149.1-157.2 94.6 15.7 1.2 25.9 61 62 A V - 0 0 34 -8,-2.3 2,-0.5 -2,-0.2 176,-0.0 -0.884 34.0-148.5-131.4 144.2 19.2 0.3 27.2 62 63 A E + 0 0 187 -2,-0.3 2,-0.3 174,-0.0 -2,-0.0 -0.990 35.5 142.3-112.1 129.9 21.9 1.7 29.3 63 64 A R - 0 0 82 -2,-0.5 -10,-0.1 0, 0.0 -2,-0.0 -0.976 56.4 -87.9-158.6 159.9 25.5 0.8 28.5 64 65 A D > - 0 0 85 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 -0.582 29.8-157.1 -80.4 121.3 28.9 2.5 28.5 65 66 A P H > S+ 0 0 10 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.883 90.9 50.8 -64.2 -43.6 29.5 4.2 25.1 66 67 A I H > S+ 0 0 37 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.920 112.4 45.3 -62.2 -48.6 33.3 4.2 25.4 67 68 A E H > S+ 0 0 146 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.867 114.6 50.5 -60.2 -42.0 33.5 0.5 26.3 68 69 A Y H X S+ 0 0 5 -4,-2.0 4,-2.9 2,-0.2 3,-0.3 0.970 110.1 46.9 -61.0 -55.2 31.1 -0.3 23.5 69 70 A A H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.949 113.3 51.7 -52.0 -49.4 33.0 1.7 20.8 70 71 A K H X S+ 0 0 114 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.835 109.2 48.0 -56.9 -37.2 36.2 0.0 21.9 71 72 A F H >< S+ 0 0 49 -4,-1.7 3,-1.1 -3,-0.3 4,-0.4 0.956 115.9 45.4 -70.6 -42.4 34.8 -3.5 21.7 72 73 A M H >X S+ 0 0 0 -4,-2.9 4,-3.2 1,-0.3 3,-1.0 0.767 94.0 76.9 -76.4 -24.1 33.5 -2.7 18.2 73 74 A E H 3< S+ 0 0 58 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.835 94.6 54.2 -47.3 -32.0 36.7 -1.0 17.1 74 75 A R T << S+ 0 0 174 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.2 0.795 126.8 12.6 -80.8 -26.8 38.1 -4.6 16.7 75 76 A Y T <4 S+ 0 0 54 -3,-1.0 -28,-0.3 -4,-0.4 -2,-0.2 0.641 100.9 96.4-123.4 -23.9 35.4 -6.0 14.4 76 77 A A < - 0 0 1 -4,-3.2 -28,-0.2 1,-0.1 3,-0.1 -0.419 60.3-145.9 -73.4 146.4 33.2 -3.2 13.1 77 78 A V S S- 0 0 0 -30,-3.1 2,-0.3 1,-0.3 -29,-0.2 0.832 84.0 -34.3 -77.3 -29.5 33.8 -1.6 9.6 78 79 A G E -b 48 0A 0 -31,-1.2 -29,-1.8 26,-0.1 2,-0.4 -0.952 67.1-100.9-165.9-173.1 32.6 1.6 11.3 79 80 A L E -bc 49 106A 0 26,-2.5 28,-3.9 -2,-0.3 2,-0.5 -0.939 11.4-151.7-123.8 143.7 30.3 3.0 13.9 80 81 A S E -bc 50 107A 0 -31,-2.5 -29,-3.3 -2,-0.4 2,-0.6 -0.964 18.3-165.2-107.9 122.7 26.9 4.8 13.8 81 82 A I E -bc 51 108A 0 26,-2.5 28,-2.6 -2,-0.5 2,-0.3 -0.940 13.9-139.1-119.3 112.4 26.3 7.2 16.8 82 83 A L E + c 0 109A 5 -31,-2.1 9,-0.9 -2,-0.6 28,-0.2 -0.589 27.5 169.0 -65.7 128.0 22.9 8.4 17.5 83 84 A T + 0 0 0 26,-2.8 2,-0.2 -2,-0.3 27,-0.2 0.362 39.2 113.3-117.4 -2.0 22.9 12.1 18.4 84 85 A E - 0 0 2 25,-0.7 6,-2.6 1,-0.1 4,-0.2 -0.587 52.1-161.2 -67.0 136.6 19.2 12.9 18.2 85 86 A E S > S+ 0 0 107 4,-0.2 4,-1.0 -2,-0.2 -1,-0.1 0.885 71.5 48.7 -91.7 -44.8 18.2 13.6 22.0 86 87 A K T 4 S+ 0 0 103 1,-0.2 -1,-0.1 2,-0.2 -2,-0.0 0.898 124.5 21.3 -71.6 -44.2 14.5 13.3 22.4 87 88 A Y T 4 S+ 0 0 51 1,-0.1 -1,-0.2 -33,-0.1 -2,-0.1 0.567 134.8 31.9-103.8 -16.3 13.7 9.9 20.8 88 89 A F T 4 S- 0 0 20 -4,-0.2 -34,-1.8 -33,-0.1 -35,-0.4 0.463 93.2-127.9-120.4 -7.9 17.1 8.2 20.8 89 90 A N < + 0 0 73 -4,-1.0 -4,-0.2 -36,-0.2 -3,-0.1 0.755 60.1 144.2 65.3 23.5 18.7 9.6 24.0 90 91 A G - 0 0 8 -6,-2.6 2,-0.3 -36,-0.1 -7,-0.3 -0.174 25.9-177.2 -83.6-178.5 21.8 10.6 22.0 91 92 A S > - 0 0 32 -9,-0.9 4,-1.4 1,-0.1 -7,-0.1 -0.962 39.9-110.0-172.4 164.6 24.0 13.6 22.5 92 93 A Y H > S+ 0 0 23 -2,-0.3 4,-2.9 1,-0.2 5,-0.1 0.874 115.1 58.7 -76.3 -40.2 27.0 15.3 21.1 93 94 A E H > S+ 0 0 93 2,-0.2 4,-3.3 1,-0.2 5,-0.4 0.893 101.4 56.1 -45.2 -50.7 29.2 14.5 24.1 94 95 A T H > S+ 0 0 3 2,-0.2 4,-3.1 1,-0.2 -2,-0.2 0.959 111.1 44.0 -49.1 -50.6 28.5 10.8 23.4 95 96 A L H X S+ 0 0 0 -4,-1.4 4,-3.8 2,-0.2 5,-0.3 0.927 114.0 50.9 -61.6 -46.1 29.9 11.3 19.8 96 97 A R H X S+ 0 0 93 -4,-2.9 4,-1.6 2,-0.2 -2,-0.2 0.916 113.2 42.5 -61.3 -45.0 32.8 13.3 21.1 97 98 A K H X S+ 0 0 103 -4,-3.3 4,-0.8 2,-0.2 3,-0.3 0.955 117.1 50.3 -63.1 -47.5 33.9 10.8 23.7 98 99 A I H >X S+ 0 0 0 -4,-3.1 3,-1.6 -5,-0.4 4,-0.7 0.962 111.6 45.7 -55.6 -54.5 33.3 8.1 21.1 99 100 A A H 3< S+ 0 0 3 -4,-3.8 3,-0.3 1,-0.3 -1,-0.2 0.751 108.6 58.9 -55.9 -32.1 35.4 9.8 18.4 100 101 A S H 3< S+ 0 0 92 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.697 109.7 43.5 -65.9 -21.4 38.2 10.6 20.8 101 102 A S H << S+ 0 0 42 -3,-1.6 2,-0.3 -4,-0.8 -2,-0.2 0.483 108.2 42.9-112.5 -10.7 38.7 7.0 21.6 102 103 A V < - 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0 0 76 1,-0.1 4,-1.0 31,-0.0 3,-0.4 -0.860 67.3-139.2-119.2 140.5 20.8 -13.3 12.2 215 216 A R H > S+ 0 0 80 -2,-0.3 4,-2.1 1,-0.2 3,-0.4 0.867 103.2 58.4 -64.6 -35.4 23.8 -14.3 9.9 216 217 A N H > S+ 0 0 112 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.864 101.6 56.1 -63.6 -33.8 21.5 -15.7 7.2 217 218 A E H > S+ 0 0 55 -3,-0.4 4,-1.4 2,-0.2 -1,-0.2 0.784 107.9 48.2 -66.0 -36.0 19.8 -12.3 6.8 218 219 A I H X S+ 0 0 2 -4,-1.0 4,-2.2 -3,-0.4 -1,-0.2 0.906 111.8 50.5 -68.6 -44.5 23.2 -10.7 6.1 219 220 A E H X S+ 0 0 69 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.917 108.5 49.6 -59.0 -50.0 24.1 -13.5 3.6 220 221 A E H X S+ 0 0 41 -4,-2.8 4,-1.1 1,-0.2 -1,-0.2 0.951 113.7 48.7 -53.3 -49.1 20.8 -13.1 1.6 221 222 A L H <>S+ 0 0 5 -4,-1.4 5,-1.7 1,-0.3 -1,-0.2 0.805 105.6 55.3 -65.7 -36.0 21.4 -9.4 1.5 222 223 A R H ><5S+ 0 0 65 -4,-2.2 3,-3.1 1,-0.2 -1,-0.3 0.934 100.5 61.5 -63.8 -40.0 25.0 -9.7 0.4 223 224 A K H 3<5S+ 0 0 150 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.834 99.3 55.3 -54.4 -36.6 23.8 -11.9 -2.6 224 225 A L T 3<5S- 0 0 71 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.403 129.5 -95.7 -76.7 2.1 21.8 -8.9 -3.9 225 226 A G T < 5 + 0 0 31 -3,-3.1 -19,-0.3 1,-0.3 -3,-0.2 0.401 68.0 157.5 99.2 -1.7 25.0 -6.7 -3.9 226 227 A V < - 0 0 0 -5,-1.7 -1,-0.3 1,-0.1 -19,-0.1 -0.391 24.9-163.0 -57.9 124.7 24.6 -5.0 -0.5 227 228 A N + 0 0 21 -21,-1.9 -181,-0.3 1,-0.2 2,-0.3 0.768 61.0 9.8 -86.7 -31.4 28.0 -3.8 0.6 228 229 A A E - g 0 207A 0 -22,-1.6 -20,-2.3 -183,-0.1 2,-0.5 -0.988 63.4-129.5-153.1 158.9 27.6 -3.2 4.4 229 230 A F E -ag 47 208A 1 -183,-2.5 -181,-3.6 -2,-0.3 2,-0.7 -0.946 6.2-150.5-123.8 123.7 25.1 -3.7 7.2 230 231 A L E +a 48 0A 12 -22,-2.5 2,-0.5 -2,-0.5 -18,-0.4 -0.837 26.7 177.4 -91.3 115.1 23.8 -1.1 9.8 231 232 A I E +a 49 0A 1 -183,-2.4 -181,-2.8 -2,-0.7 -151,-0.2 -0.976 14.7 146.4-129.5 120.1 23.1 -3.1 13.0 232 233 A G >> + 0 0 9 -2,-0.5 4,-2.4 -183,-0.2 3,-0.9 0.725 60.7 41.8-111.6 -78.2 21.9 -1.5 16.2 233 234 A S H 3> S+ 0 0 37 1,-0.3 4,-1.7 2,-0.2 5,-0.2 0.846 113.7 48.7 -49.3 -53.1 19.5 -3.2 18.6 234 235 A S H 3> S+ 0 0 9 -22,-0.3 4,-2.3 1,-0.3 -1,-0.3 0.799 115.2 44.4 -69.2 -27.0 20.9 -6.6 18.5 235 236 A L H <4 S+ 0 0 0 -3,-0.9 -1,-0.3 2,-0.2 -2,-0.2 0.772 107.9 58.4 -85.6 -24.8 24.4 -5.4 19.1 236 237 A M H < S+ 0 0 1 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.847 115.2 39.2 -63.5 -31.8 23.3 -3.0 21.8 237 238 A R H < S+ 0 0 157 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.875 137.0 12.3 -90.2 -41.8 21.9 -6.0 23.6 238 239 A N >< - 0 0 75 -4,-2.3 3,-2.8 -5,-0.2 4,-0.3 -0.619 62.9-179.4-137.6 84.0 24.7 -8.5 22.8 239 240 A P T > S+ 0 0 18 0, 0.0 3,-2.9 0, 0.0 4,-0.2 0.891 80.7 63.7 -44.2 -51.9 27.8 -6.8 21.4 240 241 A E T >> S+ 0 0 118 1,-0.3 3,-1.3 2,-0.2 4,-0.6 0.623 80.8 81.5 -54.7 -13.3 29.6 -10.2 21.1 241 242 A K H <> S+ 0 0 46 -3,-2.8 4,-1.2 1,-0.3 3,-0.4 0.728 75.2 77.4 -60.4 -19.0 27.0 -11.3 18.5 242 243 A I H X> S+ 0 0 0 -3,-2.9 4,-1.7 -4,-0.3 3,-0.5 0.884 87.4 56.8 -63.1 -34.3 29.1 -9.3 16.1 243 244 A K H <> S+ 0 0 89 -3,-1.3 4,-1.4 1,-0.3 -1,-0.2 0.859 106.5 47.1 -62.9 -40.2 31.6 -12.1 15.9 244 245 A E H 3< S+ 0 0 110 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.2 0.688 112.7 51.2 -78.7 -18.8 29.2 -14.7 14.9 245 246 A L H << S+ 0 0 3 -4,-1.2 -2,-0.2 -3,-0.5 -1,-0.2 0.709 110.5 47.4 -89.0 -26.7 27.8 -12.2 12.2 246 247 A I H < 0 0 34 -4,-1.7 -201,-0.6 -5,-0.2 -2,-0.2 0.779 360.0 360.0 -83.8 -25.2 31.2 -11.5 10.8 247 248 A L < 0 0 162 -4,-1.4 -2,-0.1 -5,-0.2 -3,-0.1 0.994 360.0 360.0 -66.7 360.0 32.3 -15.2 10.6