==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 13-AUG-08 3E57 . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN TM1382; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR W.CHOI,D.R.COOPER,Z.S.DEREWENDA,INTEGRATED CENTER FOR STRUCT . 363 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18071.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 286 78.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 98 27.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 0.6 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 . 34 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 27.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 3 1 0 1 2 0 0 2 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 4 4 3 3 1 2 0 0 0 0 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 4 A E 0 0 105 0, 0.0 41,-2.4 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 98.9 -14.0 13.8 85.8 2 5 A R E -A 41 0A 95 39,-0.2 81,-2.5 40,-0.1 2,-0.3 -0.795 360.0-171.5 -89.7 129.8 -16.3 14.3 82.8 3 6 A I E -AB 40 82A 0 37,-3.1 37,-2.0 -2,-0.5 2,-0.3 -0.834 27.7 -88.0-126.2 161.0 -14.3 15.8 79.9 4 7 A L E +A 39 0A 1 77,-2.6 50,-2.4 -2,-0.3 2,-0.3 -0.494 51.1 161.3 -76.1 127.0 -15.0 17.2 76.5 5 8 A V E -AC 38 53A 0 33,-3.2 33,-2.5 -2,-0.3 2,-0.3 -0.894 23.9-155.8-133.0 163.9 -15.2 14.8 73.5 6 9 A V E - C 0 52A 0 46,-2.0 46,-2.7 -2,-0.3 2,-0.2 -0.977 37.0 -98.5-130.0 152.7 -16.5 14.6 70.0 7 10 A K E > - C 0 51A 80 29,-0.5 4,-2.3 -2,-0.3 3,-0.5 -0.527 27.2-136.0 -62.1 130.9 -17.4 11.6 67.9 8 11 A T H > S+ 0 0 27 42,-2.4 4,-2.9 -2,-0.2 5,-0.2 0.900 107.1 59.2 -55.2 -39.9 -14.5 10.8 65.7 9 12 A E H > S+ 0 0 138 41,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.878 106.9 44.7 -54.9 -42.7 -17.1 10.2 63.0 10 13 A D H > S+ 0 0 23 -3,-0.5 4,-2.2 2,-0.2 5,-0.2 0.883 111.4 53.4 -72.2 -39.6 -18.4 13.8 63.4 11 14 A F H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 5,-0.4 0.956 111.5 46.1 -56.4 -49.2 -14.8 15.2 63.4 12 15 A L H X S+ 0 0 63 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.869 110.7 52.4 -65.0 -39.4 -14.1 13.4 60.2 13 16 A K H < S+ 0 0 155 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.895 117.8 38.2 -61.0 -40.3 -17.3 14.6 58.5 14 17 A E H < S+ 0 0 89 -4,-2.2 -2,-0.2 1,-0.1 -1,-0.2 0.898 132.7 19.4 -82.9 -39.4 -16.6 18.2 59.4 15 18 A F H < S- 0 0 34 -4,-2.9 -3,-0.2 1,-0.2 -2,-0.2 0.512 98.3-131.7-114.7 -5.5 -12.8 18.5 58.9 16 19 A G < - 0 0 29 -4,-1.8 2,-0.6 -5,-0.4 -1,-0.2 -0.165 41.6 -45.8 82.8-174.8 -11.9 15.6 56.6 17 20 A E + 0 0 84 188,-0.1 188,-2.9 -4,-0.1 2,-0.3 -0.807 68.1 150.1 -99.2 121.7 -9.2 13.0 57.0 18 21 A F E -D 204 0A 8 -2,-0.6 2,-0.5 186,-0.2 186,-0.2 -0.992 34.2-149.8-149.9 159.1 -5.7 14.2 57.9 19 22 A E E S+D 203 0A 19 184,-2.4 184,-2.4 -2,-0.3 2,-0.4 -0.972 75.3 5.4-132.4 108.1 -2.6 13.1 59.7 20 23 A G E S-DE 202 119A 6 99,-3.1 99,-2.7 -2,-0.5 2,-0.4 -0.984 111.4 -17.6 123.1-125.4 -0.5 15.8 61.3 21 24 A F E -DE 201 118A 14 180,-2.4 180,-2.4 -2,-0.4 2,-0.4 -0.923 49.8-179.4-123.3 144.7 -1.6 19.5 61.4 22 25 A M E -DE 200 117A 21 95,-2.3 95,-2.6 -2,-0.4 178,-0.2 -0.972 27.0-126.3-143.2 131.7 -4.2 21.5 59.5 23 26 A R + 0 0 143 176,-2.9 2,-0.3 -2,-0.4 93,-0.2 -0.525 36.5 173.2 -68.7 135.0 -5.1 25.1 59.7 24 27 A V - 0 0 19 91,-0.3 2,-0.4 -2,-0.2 3,-0.0 -0.922 40.7 -90.4-135.7 164.6 -8.8 25.6 60.3 25 28 A N > - 0 0 81 -2,-0.3 4,-1.8 1,-0.1 5,-0.1 -0.645 30.7-141.4 -75.5 129.3 -10.9 28.7 61.0 26 29 A F H > S+ 0 0 60 -2,-0.4 4,-2.8 1,-0.2 5,-0.2 0.897 101.5 52.8 -63.0 -44.3 -11.2 29.2 64.8 27 30 A E H > S+ 0 0 127 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.921 109.3 51.2 -53.6 -44.5 -14.9 30.3 64.6 28 31 A D H > S+ 0 0 92 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.875 110.4 48.8 -61.5 -39.1 -15.6 27.1 62.6 29 32 A F H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.931 111.7 47.4 -68.3 -45.2 -13.9 25.0 65.2 30 33 A L H X S+ 0 0 12 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.905 111.7 51.1 -63.5 -38.7 -15.8 26.6 68.1 31 34 A N H X S+ 0 0 70 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.909 108.5 53.5 -62.0 -42.1 -19.1 26.2 66.2 32 35 A F H X S+ 0 0 4 -4,-2.1 4,-2.9 1,-0.2 5,-0.4 0.897 107.2 50.4 -57.1 -46.7 -18.1 22.5 65.7 33 36 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.902 111.0 48.6 -61.0 -44.5 -17.6 22.0 69.5 34 37 A D H < S+ 0 0 63 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.888 117.8 41.2 -62.9 -37.3 -21.0 23.6 70.3 35 38 A Q H < S+ 0 0 130 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.884 134.3 15.2 -79.3 -39.7 -22.8 21.4 67.7 36 39 A Y H < S+ 0 0 44 -4,-2.9 -29,-0.5 -5,-0.2 -3,-0.2 0.517 95.2 109.3-115.4 -11.7 -21.0 18.1 68.3 37 40 A G < + 0 0 17 -4,-2.2 2,-0.3 -5,-0.4 -31,-0.2 -0.421 35.4 160.4 -74.5 141.6 -19.2 18.3 71.6 38 41 A F E -A 5 0A 81 -33,-2.5 -33,-3.2 -2,-0.1 2,-0.4 -0.937 34.7-104.7-147.7 174.5 -20.3 16.4 74.7 39 42 A F E +A 4 0A 30 -2,-0.3 2,-0.3 -35,-0.2 -35,-0.2 -0.872 33.6 170.6-112.0 139.0 -18.9 15.2 78.0 40 43 A R E -A 3 0A 47 -37,-2.0 -37,-3.1 -2,-0.4 2,-0.2 -0.956 43.7 -86.1-134.2 158.6 -17.9 11.7 79.1 41 44 A E E >> -A 2 0A 68 -2,-0.3 4,-2.6 -39,-0.3 3,-1.1 -0.429 34.9-133.7 -61.7 130.6 -16.1 10.1 82.0 42 45 A R H 3> S+ 0 0 69 -41,-2.4 4,-2.5 1,-0.2 -1,-0.1 0.868 103.9 60.5 -56.3 -37.3 -12.4 10.2 81.4 43 46 A D H 34 S+ 0 0 132 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.792 111.9 38.0 -64.6 -28.0 -12.0 6.5 82.4 44 47 A E H X4 S+ 0 0 124 -3,-1.1 3,-0.6 2,-0.1 4,-0.3 0.836 116.6 51.6 -90.9 -37.2 -14.3 5.5 79.5 45 48 A A H >< S+ 0 0 0 -4,-2.6 3,-1.2 1,-0.2 -2,-0.2 0.847 94.5 72.6 -64.3 -37.0 -13.0 8.0 77.0 46 49 A E T 3< S+ 0 0 80 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.1 0.776 110.0 27.0 -54.1 -34.0 -9.3 7.0 77.5 47 50 A Y T < S+ 0 0 194 -3,-0.6 2,-0.7 -4,-0.3 -1,-0.3 0.336 100.0 93.9-111.4 4.8 -9.6 3.7 75.7 48 51 A D X - 0 0 46 -3,-1.2 3,-1.6 -4,-0.3 -1,-0.1 -0.855 46.9-170.9-114.2 104.1 -12.5 4.3 73.2 49 52 A E T 3 S+ 0 0 94 -2,-0.7 -41,-0.2 1,-0.3 -1,-0.1 0.457 75.6 87.9 -73.0 1.1 -11.6 5.5 69.7 50 53 A T T 3 S+ 0 0 88 -42,-0.1 -42,-2.4 -43,-0.1 -41,-0.5 0.812 98.2 36.4 -59.2 -32.8 -15.3 6.1 69.1 51 54 A T E < S-C 7 0A 3 -3,-1.6 2,-0.4 -44,-0.3 -44,-0.2 -0.831 72.4-143.2-120.6 159.0 -14.5 9.6 70.5 52 55 A K E -C 6 0A 12 -46,-2.7 -46,-2.0 -2,-0.3 2,-0.3 -0.995 21.8-131.5-120.4 128.9 -11.7 12.0 70.5 53 56 A Q E -Cf 5 129A 5 75,-3.2 77,-3.0 -2,-0.4 2,-0.6 -0.642 24.5-123.2 -76.6 132.8 -10.9 14.0 73.6 54 57 A V E - f 0 130A 0 -50,-2.4 27,-0.6 -2,-0.3 -50,-0.2 -0.713 32.2-173.6 -87.7 118.2 -10.5 17.8 72.9 55 58 A I E - f 0 131A 8 75,-2.9 77,-2.6 -2,-0.6 25,-0.2 -0.919 19.5-147.2-120.5 104.7 -7.1 19.0 74.1 56 59 A P E - f 0 132A 0 0, 0.0 23,-1.2 0, 0.0 2,-0.4 -0.492 21.6-166.0 -62.5 138.4 -6.1 22.6 74.0 57 60 A Y E -Gf 78 133A 17 75,-2.6 77,-2.4 21,-0.2 2,-0.5 -0.918 3.3-167.4-139.1 103.7 -2.3 22.5 73.3 58 61 A V E -Gf 77 134A 0 19,-2.5 19,-2.3 -2,-0.4 2,-0.5 -0.861 13.0-158.3-109.4 123.3 -0.5 25.7 73.9 59 62 A V E - f 0 135A 0 75,-2.9 77,-3.4 -2,-0.5 2,-0.5 -0.867 20.2-144.8 -94.8 124.1 3.1 26.5 72.8 60 63 A I E - f 0 136A 2 -2,-0.5 7,-2.6 15,-0.4 2,-0.4 -0.794 16.7-174.1 -94.0 126.8 4.5 29.3 75.0 61 64 A M E -Hf 66 137A 3 75,-2.7 77,-2.5 -2,-0.5 2,-0.5 -0.997 9.5-171.1-120.8 128.9 6.9 31.9 73.4 62 65 A D E > S-H 65 0A 50 3,-2.1 3,-2.0 -2,-0.4 2,-0.2 -0.974 70.5 -48.2-114.9 108.2 8.7 34.5 75.4 63 66 A G T 3 S- 0 0 59 -2,-0.5 75,-0.1 75,-0.3 76,-0.0 -0.456 123.5 -21.9 60.5-125.3 10.3 36.9 72.9 64 67 A D T 3 S+ 0 0 103 -2,-0.2 92,-1.1 -3,-0.1 2,-0.3 0.260 122.2 92.3 -95.8 12.1 12.2 34.7 70.4 65 68 A R E < -HI 62 155A 104 -3,-2.0 -3,-2.1 90,-0.2 2,-0.4 -0.830 61.7-148.5-109.8 145.3 12.4 31.7 72.7 66 69 A V E -HI 61 154A 0 88,-3.1 88,-2.5 -2,-0.3 2,-0.4 -0.905 20.2-121.1-110.8 141.9 10.0 28.8 73.1 67 70 A L E + I 0 153A 4 -7,-2.6 2,-0.3 -2,-0.4 -7,-0.3 -0.663 30.7 179.8 -80.9 129.0 9.3 27.0 76.3 68 71 A I E - I 0 152A 0 84,-3.0 84,-2.5 -2,-0.4 2,-0.3 -0.951 7.0-164.5-123.9 149.7 10.0 23.2 76.3 69 72 A T E -JI 74 151A 7 5,-2.1 5,-3.1 -2,-0.3 2,-0.3 -0.932 8.0-158.4-134.1 156.7 9.5 21.0 79.4 70 73 A K E I 0 150A 85 80,-2.1 80,-1.9 -2,-0.3 -2,-0.0 -0.900 360.0 360.0-126.9 155.3 10.6 17.5 80.5 71 74 A R 0 0 215 -2,-0.3 -1,-0.2 78,-0.2 79,-0.1 0.616 360.0 360.0 -99.6 360.0 9.1 15.2 83.1 72 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 73 87 A Y 0 0 73 0, 0.0 2,-0.4 0, 0.0 94,-0.4 0.000 360.0 360.0 360.0 142.1 10.9 17.1 75.8 74 88 A S B -J 69 0A 38 -5,-3.1 -5,-2.1 1,-0.1 92,-0.0 -0.957 360.0-169.0-118.6 134.2 7.5 18.5 75.2 75 89 A L S S+ 0 0 4 -2,-0.4 -15,-0.4 -7,-0.2 2,-0.3 0.670 70.5 51.5 -92.7 -24.0 6.8 21.7 73.2 76 90 A G S S- 0 0 4 -17,-0.2 2,-0.6 -7,-0.1 -17,-0.2 -0.845 70.5-135.1-117.6 154.5 3.1 22.2 74.1 77 91 A I E +G 58 0A 5 -19,-2.3 -19,-2.5 -2,-0.3 2,-0.3 -0.949 36.8 175.9-108.2 113.5 1.2 22.4 77.3 78 92 A G E +G 57 0A 34 -2,-0.6 2,-0.3 -21,-0.2 -21,-0.2 -0.776 10.6 156.4-118.2 155.9 -2.0 20.3 77.0 79 93 A G - 0 0 18 -23,-1.2 2,-0.1 -2,-0.3 21,-0.1 -0.971 39.4 -86.3-162.9 172.8 -4.9 19.3 79.2 80 94 A H - 0 0 21 -2,-0.3 2,-0.5 -25,-0.2 -25,-0.1 -0.426 33.0-122.7 -81.4 159.5 -8.5 18.2 79.1 81 95 A V - 0 0 1 -27,-0.6 -77,-2.6 -77,-0.2 2,-0.3 -0.913 31.5-144.7-100.9 124.3 -11.6 20.4 79.1 82 96 A R B > -B 3 0A 89 -2,-0.5 3,-2.3 10,-0.3 4,-0.3 -0.637 19.2-121.3 -97.5 149.9 -13.9 19.6 82.1 83 97 A E G > S+ 0 0 83 -81,-2.5 3,-0.9 1,-0.3 -80,-0.1 0.852 114.2 54.8 -53.3 -36.6 -17.6 19.7 82.2 84 98 A G G 3 S+ 0 0 80 -82,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.479 84.8 86.2 -77.1 -2.9 -17.4 22.3 85.0 85 99 A D G < S- 0 0 21 -3,-2.3 2,-0.3 1,-0.2 -1,-0.2 0.638 103.8 -16.5 -75.0 -15.3 -15.3 24.7 82.9 86 100 A G < - 0 0 25 -3,-0.9 -1,-0.2 -4,-0.3 6,-0.1 -0.961 61.3-103.3 178.5 163.3 -18.2 26.4 81.2 87 101 A A S S+ 0 0 95 -2,-0.3 -1,-0.1 -3,-0.1 -2,-0.0 0.765 104.4 28.2 -74.0 -28.3 -21.9 26.3 80.3 88 102 A T S > S- 0 0 50 1,-0.1 4,-3.0 -3,-0.1 5,-0.3 -0.856 89.6-105.0-127.7 161.4 -21.4 25.2 76.7 89 103 A P H > S+ 0 0 22 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.908 121.0 49.9 -54.7 -42.6 -18.7 23.3 75.0 90 104 A R H > S+ 0 0 67 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.950 114.3 44.2 -64.0 -42.9 -17.2 26.4 73.4 91 105 A E H > S+ 0 0 104 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.916 113.7 50.3 -64.5 -43.5 -17.1 28.2 76.8 92 106 A A H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 -10,-0.3 0.890 110.1 51.8 -59.8 -42.1 -15.8 25.2 78.6 93 107 A F H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.3 -2,-0.2 0.951 110.0 46.4 -59.9 -52.9 -13.0 24.9 75.9 94 108 A L H X S+ 0 0 69 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.877 116.4 45.2 -63.4 -37.7 -11.9 28.5 76.2 95 109 A K H X S+ 0 0 91 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.859 111.6 51.9 -72.3 -38.0 -11.8 28.4 80.0 96 110 A G H X S+ 0 0 0 -4,-2.6 4,-2.9 -5,-0.2 5,-0.2 0.872 105.5 56.9 -63.4 -37.3 -10.0 25.0 80.1 97 111 A L H X S+ 0 0 11 -4,-2.3 4,-1.4 -5,-0.2 -2,-0.2 0.949 111.6 41.9 -55.4 -51.0 -7.5 26.5 77.7 98 112 A E H X S+ 0 0 106 -4,-1.5 4,-2.0 1,-0.2 -2,-0.2 0.941 119.1 43.6 -62.9 -49.9 -6.8 29.2 80.3 99 113 A R H X S+ 0 0 32 -4,-2.8 4,-1.3 1,-0.2 -2,-0.2 0.875 108.0 59.0 -62.3 -44.3 -6.8 26.8 83.3 100 114 A E H X S+ 0 0 6 -4,-2.9 4,-0.7 1,-0.2 3,-0.2 0.890 110.9 40.3 -55.0 -47.0 -4.8 24.1 81.7 101 115 A V H >X S+ 0 0 3 -4,-1.4 4,-2.3 -5,-0.2 3,-1.0 0.935 112.0 55.6 -72.3 -44.7 -1.8 26.4 81.1 102 116 A N H 3< S+ 0 0 61 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.635 100.9 60.6 -67.2 -14.1 -2.1 28.1 84.5 103 117 A E H 3< S+ 0 0 99 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.831 114.8 32.3 -74.5 -35.5 -1.9 24.8 86.2 104 118 A E H << S+ 0 0 23 -3,-1.0 40,-2.4 -4,-0.7 41,-0.5 0.824 123.4 21.7 -94.6 -38.9 1.6 24.0 84.8 105 119 A V E < - K 0 143A 0 -4,-2.3 2,-0.8 38,-0.3 38,-0.3 -0.939 61.7-126.3-135.6 155.5 3.3 27.4 84.4 106 120 A D E + K 0 142A 69 36,-3.8 35,-2.9 -2,-0.3 36,-1.4 -0.898 51.0 150.3 -97.4 107.7 3.4 30.9 85.7 107 121 A V E - K 0 140A 16 -2,-0.8 2,-0.7 33,-0.2 33,-0.2 -0.970 46.0-140.5-136.5 148.1 3.1 33.1 82.6 108 122 A S E - K 0 139A 70 31,-2.6 31,-2.1 -2,-0.3 2,-0.2 -0.895 30.9-153.6-105.6 97.7 1.7 36.5 81.7 109 123 A L E - K 0 138A 58 -2,-0.7 29,-0.3 29,-0.3 3,-0.1 -0.503 20.7-177.3 -72.0 140.0 0.2 36.0 78.3 110 124 A R E S- 0 0 203 27,-3.4 2,-0.3 1,-0.4 28,-0.2 0.730 73.2 -0.8-100.8 -40.3 -0.1 38.9 75.9 111 125 A E E - K 0 137A 98 26,-1.7 26,-2.9 2,-0.0 2,-0.5 -0.962 54.6-154.9-154.4 143.9 -1.8 37.1 73.1 112 126 A L E - K 0 136A 70 -2,-0.3 2,-0.5 24,-0.2 24,-0.2 -0.975 17.3-166.8-118.4 124.8 -3.1 33.6 72.4 113 127 A E E - K 0 135A 95 22,-2.3 22,-2.5 -2,-0.5 2,-0.4 -0.977 16.8-136.1-119.2 119.1 -3.3 32.7 68.7 114 128 A F E + K 0 134A 26 -2,-0.5 20,-0.3 20,-0.2 -88,-0.1 -0.623 23.9 177.9 -70.7 128.5 -5.2 29.6 67.5 115 129 A L E - 0 0 12 18,-3.6 2,-0.3 -2,-0.4 -91,-0.3 0.817 44.5 -85.7-101.1 -40.9 -3.1 27.9 64.8 116 130 A G E - K 0 133A 0 17,-1.3 17,-2.7 -93,-0.2 -1,-0.4 -0.988 51.5 -49.9 161.6-161.8 -5.1 24.8 63.8 117 131 A L E -EK 22 132A 0 -95,-2.6 -95,-2.3 -2,-0.3 2,-0.5 -0.829 31.0-149.9-112.3 147.4 -5.8 21.2 64.7 118 132 A I E +EK 21 131A 0 13,-2.4 13,-2.6 -2,-0.3 2,-0.4 -0.956 20.7 169.9-114.4 125.7 -3.5 18.3 65.4 119 133 A N E +E 20 0A 10 -99,-2.7 -99,-3.1 -2,-0.5 2,-0.3 -0.930 6.8 161.6-137.6 113.3 -4.8 14.8 64.5 120 134 A S - 0 0 4 6,-0.4 9,-0.3 -2,-0.4 3,-0.1 -0.939 25.5-166.0-135.6 153.9 -2.4 11.9 64.5 121 135 A S + 0 0 11 -2,-0.3 6,-0.1 1,-0.1 -1,-0.0 0.185 57.7 105.9-124.0 16.4 -3.0 8.2 64.7 122 136 A T S S+ 0 0 72 4,-0.0 2,-0.3 2,-0.0 -1,-0.1 0.599 80.4 34.9 -86.4 -11.7 0.4 6.8 65.5 123 137 A T S > S- 0 0 73 -3,-0.1 4,-2.3 1,-0.1 5,-0.1 -0.956 81.2-113.1-135.1 160.9 -0.3 5.9 69.2 124 138 A E H > S+ 0 0 147 -2,-0.3 4,-0.7 1,-0.2 -1,-0.1 0.891 119.8 46.8 -51.0 -44.0 -3.1 4.6 71.3 125 139 A V H >4 S+ 0 0 75 1,-0.2 3,-1.0 2,-0.2 -1,-0.2 0.923 109.5 51.0 -71.2 -42.9 -3.2 7.9 73.1 126 140 A S H >4 S+ 0 0 7 1,-0.2 3,-1.6 2,-0.2 -6,-0.4 0.875 103.6 61.7 -63.2 -34.3 -3.0 10.1 70.0 127 141 A R H 3< S+ 0 0 47 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.750 106.5 44.2 -62.4 -24.6 -5.9 8.1 68.5 128 142 A V T << S+ 0 0 4 -3,-1.0 -75,-3.2 -4,-0.7 2,-0.4 0.221 106.6 77.4-103.3 14.4 -8.3 9.2 71.3 129 143 A H E < -f 53 0A 34 -3,-1.6 2,-0.4 -77,-0.3 -9,-0.4 -0.952 53.1-166.7-125.1 145.5 -7.1 12.9 71.2 130 144 A L E -f 54 0A 0 -77,-3.0 -75,-2.9 -2,-0.4 2,-0.4 -0.997 23.3-147.5-124.5 122.5 -7.8 15.9 69.0 131 145 A G E -fK 55 118A 0 -13,-2.6 -13,-2.4 -2,-0.4 2,-0.7 -0.737 12.3-158.4 -97.6 137.1 -5.4 18.8 69.6 132 146 A A E -fK 56 117A 0 -77,-2.6 -75,-2.6 -2,-0.4 2,-0.4 -0.952 24.2-148.2-108.8 105.5 -6.2 22.5 69.2 133 147 A L E +fK 57 116A 0 -17,-2.7 -18,-3.6 -2,-0.7 -17,-1.3 -0.657 21.4 174.5 -84.0 124.6 -2.8 24.2 68.7 134 148 A F E -fK 58 114A 4 -77,-2.4 -75,-2.9 -2,-0.4 2,-0.6 -0.930 27.1-141.3-122.3 150.9 -2.2 27.7 70.0 135 149 A L E -fK 59 113A 2 -22,-2.5 -22,-2.3 -2,-0.3 2,-0.6 -0.978 19.5-162.5-106.7 119.2 0.8 29.9 70.2 136 150 A G E -fK 60 112A 0 -77,-3.4 -75,-2.7 -2,-0.6 2,-0.5 -0.921 2.9-163.3-104.3 111.3 0.8 31.8 73.5 137 151 A R E +fK 61 111A 75 -26,-2.9 -27,-3.4 -2,-0.6 -26,-1.7 -0.830 38.5 96.3 -98.8 130.4 3.1 34.9 73.4 138 152 A G E S- K 0 109A 15 -77,-2.5 2,-0.5 -2,-0.5 -75,-0.3 -0.932 72.4 -53.1-178.3-163.2 4.0 36.3 76.8 139 153 A K E - K 0 108A 127 -31,-2.1 -31,-2.6 -2,-0.3 2,-0.4 -0.929 43.0-147.9-107.4 122.4 6.4 36.5 79.7 140 154 A F E + K 0 107A 17 -2,-0.5 -33,-0.2 -33,-0.2 3,-0.1 -0.806 24.4 166.0 -90.4 130.9 7.4 33.2 81.3 141 155 A F E - 0 0 106 -35,-2.9 2,-0.3 -2,-0.4 -34,-0.2 0.801 55.1 -41.0-107.8 -50.0 8.1 33.4 85.1 142 156 A S E - K 0 106A 48 -36,-1.4 -36,-3.8 3,-0.0 -1,-0.4 -0.984 51.4 -93.1-169.6 163.8 8.3 29.9 86.4 143 157 A V E - K 0 105A 23 -2,-0.3 -38,-0.3 -38,-0.3 3,-0.2 -0.757 33.4-136.0 -86.5 144.8 6.9 26.3 86.4 144 158 A K S S+ 0 0 108 -40,-2.4 2,-0.5 -2,-0.3 -39,-0.1 0.868 89.2 36.0 -72.8 -39.9 4.3 25.7 89.1 145 159 A E >> - 0 0 114 -41,-0.5 4,-1.9 1,-0.1 3,-1.5 -0.891 59.2-170.3-123.7 106.4 5.5 22.3 90.4 146 160 A K T 34 S+ 0 0 196 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.1 0.759 89.1 56.9 -60.1 -30.6 9.3 21.6 90.5 147 161 A D T 34 S+ 0 0 153 1,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.547 112.0 44.3 -81.7 -6.6 8.8 17.9 91.2 148 162 A L T <4 S+ 0 0 77 -3,-1.5 2,-0.4 1,-0.3 -2,-0.2 0.873 116.8 22.8 -95.9 -55.6 6.7 17.5 88.0 149 163 A F < - 0 0 19 -4,-1.9 2,-0.3 -45,-0.1 -1,-0.3 -0.910 46.8-159.7-126.6 140.6 8.6 19.5 85.3 150 164 A E E -I 70 0A 97 -80,-1.9 -80,-2.1 -2,-0.4 2,-0.3 -0.782 29.7-156.1 -96.7 158.6 12.0 20.8 84.3 151 165 A W E -I 69 0A 108 -2,-0.3 2,-0.3 -82,-0.2 -82,-0.2 -0.946 19.0-173.3-137.4 154.2 12.0 23.6 81.7 152 166 A E E -I 68 0A 86 -84,-2.5 -84,-3.0 -2,-0.3 2,-0.6 -0.981 17.2-146.4-138.5 148.7 14.2 25.3 79.0 153 167 A L E -I 67 0A 33 -2,-0.3 2,-0.3 -86,-0.2 -86,-0.2 -0.950 30.6-175.8-111.3 106.3 13.6 28.4 76.9 154 168 A I E -I 66 0A 5 -88,-2.5 -88,-3.1 -2,-0.6 5,-0.1 -0.787 25.7-114.9-110.6 148.1 15.2 27.8 73.5 155 169 A K E >> -I 65 0A 67 -2,-0.3 3,-0.9 -90,-0.3 4,-0.8 -0.357 29.5-116.0 -73.0 154.9 15.7 30.0 70.5 156 170 A L H >> S+ 0 0 30 -92,-1.1 3,-1.2 1,-0.3 4,-1.1 0.915 116.9 63.4 -61.8 -40.4 13.8 29.0 67.3 157 171 A E H 34 S+ 0 0 143 1,-0.3 4,-0.4 2,-0.2 -1,-0.3 0.823 107.4 44.2 -45.3 -36.6 17.2 28.5 65.6 158 172 A E H <> S+ 0 0 60 -3,-0.9 4,-2.3 1,-0.2 -1,-0.3 0.617 95.6 76.0 -85.0 -17.5 17.7 25.7 68.2 159 173 A L H 4 S+ 0 0 150 -4,-0.4 3,-1.4 1,-0.2 4,-0.3 0.950 115.2 47.4 -59.6 -55.0 17.9 20.7 66.6 162 176 A F H >< S+ 0 0 28 -4,-2.3 3,-2.2 1,-0.3 -2,-0.2 0.807 96.9 70.2 -61.5 -35.5 15.6 19.8 69.5 163 177 A S G >< S+ 0 0 21 -4,-3.1 3,-0.5 1,-0.3 -1,-0.3 0.623 87.6 68.3 -64.8 -11.9 12.7 18.6 67.4 164 178 A G G < S+ 0 0 66 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.752 101.7 45.3 -70.3 -27.4 14.9 15.6 66.5 165 179 A V G < S+ 0 0 96 -3,-2.2 2,-0.3 -4,-0.3 -1,-0.2 0.245 101.6 90.7 -99.9 11.2 14.6 14.3 70.1 166 180 A M < - 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