==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 18-MAR-13 4JOT . COMPND 2 MOLECULE: ENOYL-COA HYDRATASE, PUTATIVE; . SOURCE 2 ORGANISM_SCIENTIFIC: DEINOCOCCUS RADIODURANS; . AUTHOR S.ESWARAMOORTHY,S.CHAMALA,B.EVANS,F.FOTI,A.GIZZI,B.HILLERICH . 255 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13430.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 186 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.4 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 . 10 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 36.1 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 0 0 2 1 1 1 1 1 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 2 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 PARALLEL BRIDGES PER LADDER . 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 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 -1 A Q 0 0 190 0, 0.0 11,-1.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 117.4 45.8 34.7 -8.1 2 0 A S E -A 11 0A 67 9,-0.2 2,-0.5 7,-0.0 9,-0.2 -0.791 360.0-154.6-113.2 149.6 42.6 36.7 -7.5 3 1 A X E -A 10 0A 89 7,-2.7 7,-2.3 -2,-0.3 2,-0.6 -0.987 13.1-153.0-123.0 120.5 39.2 36.9 -9.0 4 2 A T E +A 9 0A 117 -2,-0.5 2,-0.2 5,-0.2 5,-0.2 -0.825 18.4 172.2 -94.9 123.9 37.3 40.2 -8.8 5 3 A Y - 0 0 35 3,-2.2 37,-0.0 -2,-0.6 36,-0.0 -0.604 46.8-101.3-109.0-180.0 33.5 40.0 -8.9 6 4 A Q S S+ 0 0 158 -2,-0.2 36,-0.1 1,-0.1 3,-0.0 0.916 116.3 21.2 -67.6 -45.3 31.2 42.9 -8.2 7 5 A S S S+ 0 0 8 34,-0.1 25,-2.0 26,-0.1 26,-1.2 0.567 126.9 29.2-105.8 -13.5 30.3 42.0 -4.6 8 6 A I E - B 0 31A 0 24,-0.2 -3,-2.2 23,-0.2 2,-0.4 -0.940 59.4-139.5-144.3 160.2 33.1 39.8 -3.5 9 7 A R E -AB 4 30A 81 21,-2.0 21,-2.9 -2,-0.3 2,-0.5 -0.995 14.6-163.3-123.0 136.6 36.8 39.0 -4.0 10 8 A L E +AB 3 29A 4 -7,-2.3 -7,-2.7 -2,-0.4 2,-0.4 -0.981 10.3 177.5-121.0 120.7 38.2 35.4 -4.2 11 9 A T E -AB 2 28A 51 17,-2.3 17,-2.9 -2,-0.5 2,-0.4 -0.947 10.1-161.8-119.3 143.2 41.9 34.7 -3.7 12 10 A Q E - B 0 27A 29 -11,-1.7 15,-0.2 -2,-0.4 -2,-0.0 -0.992 2.6-159.5-129.6 125.6 43.5 31.3 -3.7 13 11 A R E - B 0 26A 83 13,-2.7 13,-1.9 -2,-0.4 -2,-0.0 -0.913 21.9-126.8-106.7 115.1 47.0 30.7 -2.3 14 12 A P E - B 0 25A 40 0, 0.0 11,-0.3 0, 0.0 3,-0.2 -0.365 11.4-142.5 -58.1 134.4 48.8 27.5 -3.4 15 13 A L S S+ 0 0 52 9,-2.7 2,-0.5 1,-0.3 10,-0.1 0.813 94.5 33.3 -72.9 -32.5 50.0 25.5 -0.3 16 14 A S + 0 0 91 8,-0.4 -1,-0.3 5,-0.1 7,-0.2 -0.982 60.6 173.7-120.8 116.5 53.2 24.6 -2.1 17 15 A Q S S+ 0 0 163 -2,-0.5 2,-0.2 -3,-0.2 -1,-0.1 0.565 73.3 62.9 -95.6 -15.0 54.5 27.2 -4.5 18 16 A D S S+ 0 0 146 -3,-0.1 3,-0.3 2,-0.0 -2,-0.1 -0.396 81.6 59.3 -87.5 178.8 57.6 25.1 -5.0 19 17 A G S S- 0 0 65 -2,-0.2 -3,-0.0 1,-0.2 0, 0.0 0.178 82.6-103.4 79.5 159.6 57.4 21.6 -6.6 20 18 A T S S+ 0 0 160 2,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.042 85.6 105.2-105.3 23.1 56.1 20.5 -10.0 21 19 A T S S- 0 0 108 -3,-0.3 2,-0.8 -5,-0.0 -5,-0.1 -0.739 70.7-126.7-112.3 151.3 52.9 19.1 -8.5 22 20 A Q + 0 0 197 -2,-0.3 -2,-0.1 1,-0.1 -3,-0.0 -0.867 49.4 150.6 -96.1 107.7 49.2 20.3 -8.5 23 21 A G - 0 0 60 -2,-0.8 2,-0.2 -7,-0.2 -1,-0.1 0.194 41.6 -57.0-109.6-134.6 48.2 20.4 -4.8 24 22 A G - 0 0 10 188,-0.0 -9,-2.7 32,-0.0 -8,-0.4 -0.649 37.6-147.3-113.7 170.9 45.7 22.3 -2.7 25 23 A T E -Bc 14 56A 15 30,-1.2 32,-2.8 -11,-0.3 33,-0.8 -0.832 18.3-124.1-126.1 167.0 45.1 26.0 -1.9 26 24 A V E -Bc 13 58A 1 -13,-1.9 -13,-2.7 -2,-0.3 2,-0.4 -0.990 35.2-153.9-105.0 124.0 43.8 28.1 1.0 27 25 A A E -Bc 12 59A 0 31,-2.8 33,-3.0 -2,-0.5 2,-0.5 -0.797 9.9-164.4-100.7 141.2 40.9 30.2 -0.4 28 26 A T E -Bc 11 60A 5 -17,-2.9 -17,-2.3 -2,-0.4 2,-0.6 -0.983 0.6-165.7-126.8 119.8 39.9 33.5 1.0 29 27 A L E -Bc 10 61A 0 31,-3.5 33,-2.3 -2,-0.5 2,-0.5 -0.925 9.1-163.2-106.6 116.3 36.5 35.0 0.2 30 28 A T E -Bc 9 62A 6 -21,-2.9 -21,-2.0 -2,-0.6 2,-0.9 -0.869 20.9-132.9-103.9 126.4 36.1 38.7 1.0 31 29 A L E +B 8 0A 3 31,-2.7 33,-0.3 -2,-0.5 -23,-0.2 -0.696 35.0 175.2 -73.2 108.3 32.7 40.4 1.2 32 30 A A + 0 0 26 -25,-2.0 -24,-0.2 -2,-0.9 -1,-0.2 0.423 34.8 103.8-109.5 -2.3 33.6 43.4 -0.8 33 31 A A S > S- 0 0 30 -26,-1.2 3,-2.6 4,-0.3 31,-0.2 -0.254 93.7 -61.4 -69.7 167.3 30.4 45.4 -1.2 34 32 A K G > S- 0 0 181 1,-0.3 3,-2.2 2,-0.2 35,-0.2 -0.338 124.6 -10.3 -55.2 124.2 29.8 48.6 0.8 35 33 A X G 3 S- 0 0 71 1,-0.3 34,-1.9 -3,-0.1 -1,-0.3 0.729 122.7 -72.3 51.7 26.7 29.9 47.5 4.5 36 34 A G G < S+ 0 0 4 -3,-2.6 34,-0.5 32,-0.3 -1,-0.3 0.731 84.5 172.8 62.5 24.2 29.8 43.9 3.3 37 35 A S < - 0 0 25 -3,-2.2 2,-0.6 32,-0.1 -4,-0.3 -0.195 29.1-131.4 -61.4 154.0 26.1 44.4 2.2 38 36 A X B +g 71 0B 2 32,-2.3 34,-2.4 4,-0.1 38,-0.1 -0.931 36.2 158.6-117.7 108.5 24.4 41.7 0.2 39 37 A G >> - 0 0 15 -2,-0.6 4,-1.3 32,-0.2 3,-0.5 -0.426 60.0 -70.9-112.5-169.8 22.5 42.8 -2.9 40 38 A P H 3> S+ 0 0 68 0, 0.0 4,-0.9 0, 0.0 5,-0.1 0.794 129.8 54.5 -58.9 -34.0 21.3 41.0 -6.0 41 39 A A H 3> S+ 0 0 22 1,-0.2 4,-2.9 2,-0.2 3,-0.5 0.890 102.3 59.4 -65.9 -39.1 24.8 40.6 -7.4 42 40 A F H <> S+ 0 0 2 -3,-0.5 4,-2.7 1,-0.2 -1,-0.2 0.920 102.0 51.7 -55.3 -48.4 25.9 38.9 -4.2 43 41 A W H < S+ 0 0 9 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.792 116.7 41.3 -62.1 -27.9 23.4 36.1 -4.5 44 42 A Q H X S+ 0 0 95 -4,-0.9 4,-0.7 -3,-0.5 -2,-0.2 0.860 119.7 41.2 -84.5 -40.0 24.6 35.4 -8.1 45 43 A E H X S+ 0 0 24 -4,-2.9 4,-2.4 2,-0.2 5,-0.2 0.823 102.6 64.3 -82.6 -35.2 28.3 35.8 -7.5 46 44 A F H X S+ 0 0 0 -4,-2.7 4,-2.0 -5,-0.3 -1,-0.1 0.938 105.2 45.5 -60.2 -48.8 28.8 34.0 -4.2 47 45 A P H > S+ 0 0 38 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.834 110.4 56.1 -61.4 -32.5 27.7 30.6 -5.6 48 46 A Q H < S+ 0 0 97 -4,-0.7 4,-0.5 2,-0.2 -2,-0.2 0.925 107.2 48.8 -61.6 -45.5 29.9 31.2 -8.6 49 47 A A H >< S+ 0 0 0 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.893 106.6 56.0 -62.6 -39.0 32.9 31.7 -6.3 50 48 A L H >< S+ 0 0 20 -4,-2.0 3,-1.7 1,-0.3 -1,-0.2 0.873 99.8 60.2 -60.8 -35.0 32.1 28.5 -4.5 51 49 A S T 3< S+ 0 0 93 -4,-1.6 3,-0.4 1,-0.3 -1,-0.3 0.653 96.5 62.8 -66.5 -14.9 32.3 26.6 -7.8 52 50 A E T < S+ 0 0 76 -3,-1.4 3,-0.5 -4,-0.5 -1,-0.3 0.388 82.0 84.7 -86.4 2.2 35.9 27.7 -8.1 53 51 A L X + 0 0 13 -3,-1.7 3,-1.0 1,-0.2 -1,-0.2 0.134 45.2 115.5 -99.3 22.2 36.9 25.8 -4.9 54 52 A G T 3 S+ 0 0 85 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.779 87.1 38.2 -58.6 -28.5 37.5 22.4 -6.4 55 53 A D T 3 S+ 0 0 84 -3,-0.5 -30,-1.2 -31,-0.1 2,-0.3 0.447 93.8 109.6 -99.4 -6.5 41.2 22.6 -5.4 56 54 A A E < -c 25 0A 12 -3,-1.0 -30,-0.2 -32,-0.2 3,-0.1 -0.547 44.6-170.0 -86.2 139.2 40.8 24.4 -2.1 57 55 A R E S+ 0 0 80 -32,-2.8 2,-0.3 1,-0.3 -31,-0.2 0.681 78.1 13.4 -93.9 -25.0 41.5 22.6 1.3 58 56 A V E -c 26 0A 0 -33,-0.8 -31,-2.8 51,-0.2 2,-0.5 -0.985 64.5-148.6-150.2 145.2 40.1 25.4 3.4 59 57 A L E -cd 27 111A 0 51,-2.2 53,-3.1 -2,-0.3 2,-0.5 -0.985 7.4-161.7-118.4 128.2 37.9 28.5 2.8 60 58 A I E -cd 28 112A 1 -33,-3.0 -31,-3.5 -2,-0.5 2,-0.5 -0.911 5.8-161.2-101.5 131.7 38.2 31.7 4.9 61 59 A V E +cd 29 113A 3 51,-3.1 53,-3.0 -2,-0.5 2,-0.3 -0.968 25.7 149.4-113.7 127.1 35.3 34.1 4.8 62 60 A R E -cd 30 114A 58 -33,-2.3 -31,-2.7 -2,-0.5 2,-0.1 -0.919 31.8-132.8-148.8 170.1 35.9 37.7 5.9 63 61 A G - 0 0 1 51,-0.5 4,-0.3 -2,-0.3 -31,-0.1 -0.379 11.6-133.7-114.0-164.3 35.0 41.3 5.4 64 62 A E S S+ 0 0 75 2,-1.4 -1,-0.1 -33,-0.3 3,-0.1 0.679 94.4 6.4-117.5 -80.6 36.7 44.7 4.9 65 63 A Q S S- 0 0 150 1,-0.2 2,-0.3 2,-0.1 53,-0.1 0.892 146.1 -11.1 -72.9 -46.1 35.5 47.6 7.0 66 64 A V S S- 0 0 12 1,-0.2 -2,-1.4 51,-0.1 -1,-0.2 -0.817 77.7-104.5-134.8 178.3 33.2 45.2 8.9 67 65 A F S S- 0 0 0 49,-1.5 2,-0.3 51,-0.9 -3,-0.2 0.989 88.1 -33.6 -67.9 -69.6 32.2 41.6 8.2 68 66 A S B -h 119 0C 0 50,-2.0 52,-2.4 -5,-0.1 -32,-0.3 -0.937 29.2-157.8-158.9 134.4 28.7 42.3 6.9 69 67 A A - 0 0 34 -34,-1.9 2,-0.2 1,-0.3 -32,-0.1 0.465 55.7-137.5 -81.1 -6.3 25.8 44.7 7.4 70 68 A G + 0 0 0 -34,-0.5 -32,-2.3 -35,-0.2 -1,-0.3 -0.544 57.8 15.5 89.2-150.1 23.7 41.9 5.9 71 69 A L B -g 38 0B 48 -34,-0.2 2,-0.9 -2,-0.2 -32,-0.2 -0.339 67.6-131.9 -61.6 132.1 20.8 42.3 3.4 72 70 A D > - 0 0 42 -34,-2.4 4,-1.6 1,-0.2 5,-0.2 -0.821 20.4-160.4 -82.8 108.2 20.7 45.6 1.5 73 71 A V H > S+ 0 0 89 -2,-0.9 4,-1.3 1,-0.2 3,-0.2 0.926 82.7 50.5 -59.3 -48.8 17.0 46.3 2.0 74 72 A K H > S+ 0 0 162 1,-0.2 4,-0.6 2,-0.2 3,-0.4 0.909 112.9 42.5 -55.4 -52.9 16.7 48.8 -0.9 75 73 A S H 4 S+ 0 0 40 1,-0.2 4,-0.2 2,-0.2 -1,-0.2 0.710 116.5 46.8 -76.6 -21.9 18.4 46.7 -3.6 76 74 A N H >X S+ 0 0 4 -4,-1.6 4,-2.3 -3,-0.2 3,-0.8 0.638 94.0 79.7 -88.8 -15.9 16.6 43.4 -2.7 77 75 A G H 3X S+ 0 0 20 -4,-1.3 4,-2.3 -3,-0.4 -2,-0.2 0.810 81.9 64.7 -61.2 -34.8 13.2 45.1 -2.5 78 76 A A H 3< S+ 0 0 84 -4,-0.6 -1,-0.3 1,-0.2 -2,-0.1 0.862 113.3 32.6 -54.9 -42.1 12.8 45.1 -6.2 79 77 A A H <4 S+ 0 0 51 -3,-0.8 4,-0.4 -4,-0.2 -2,-0.2 0.852 123.2 46.0 -83.0 -37.8 12.7 41.3 -6.2 80 78 A I H >X S+ 0 0 35 -4,-2.3 3,-1.4 2,-0.2 4,-0.5 0.942 103.9 56.3 -74.7 -51.7 11.0 40.8 -2.8 81 79 A V G >< S+ 0 0 93 -4,-2.3 3,-1.4 1,-0.3 -1,-0.2 0.871 104.1 52.4 -55.6 -46.4 8.1 43.2 -2.8 82 80 A P G 34 S+ 0 0 83 0, 0.0 -1,-0.3 0, 0.0 -2,-0.2 0.703 110.3 51.8 -61.6 -19.6 6.5 41.9 -6.1 83 81 A A G X4 S+ 0 0 4 -3,-1.4 3,-2.0 -4,-0.4 7,-0.4 0.470 78.6 123.4 -96.0 -5.4 6.5 38.4 -4.5 84 82 A L T << S+ 0 0 94 -3,-1.4 -3,-0.0 -4,-0.5 5,-0.0 -0.331 81.2 14.1 -59.5 135.5 4.8 39.3 -1.2 85 83 A G T 3 S+ 0 0 82 1,-0.1 -1,-0.3 2,-0.0 -2,-0.1 0.529 104.2 101.0 74.9 6.9 1.7 37.2 -0.6 86 84 A K <> - 0 0 116 -3,-2.0 4,-3.2 1,-0.1 5,-0.3 -0.832 54.1-169.1-124.1 89.7 2.7 34.8 -3.4 87 85 A P H > S+ 0 0 104 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.838 84.6 43.0 -52.5 -46.6 4.2 31.7 -1.7 88 86 A D H > S+ 0 0 142 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.915 118.6 44.4 -67.8 -43.0 5.6 30.0 -4.8 89 87 A A H > S+ 0 0 46 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.876 114.3 50.5 -65.1 -38.4 7.0 33.2 -6.3 90 88 A F H X S+ 0 0 62 -4,-3.2 4,-2.5 -7,-0.4 5,-0.2 0.925 108.3 52.1 -68.5 -44.6 8.4 34.3 -2.9 91 89 A K H X S+ 0 0 120 -4,-2.4 4,-3.0 -5,-0.3 -1,-0.2 0.920 106.3 54.5 -52.6 -49.1 10.1 30.9 -2.5 92 90 A A H X S+ 0 0 54 -4,-2.0 4,-0.8 1,-0.2 -1,-0.2 0.872 109.5 48.1 -54.2 -41.2 11.7 31.3 -5.9 93 91 A V H >X S+ 0 0 31 -4,-1.6 3,-1.0 1,-0.2 4,-0.7 0.956 114.3 43.8 -64.7 -50.8 13.2 34.6 -4.8 94 92 A V H >X S+ 0 0 11 -4,-2.5 4,-2.6 1,-0.3 3,-0.7 0.813 100.7 71.0 -70.8 -28.3 14.5 33.3 -1.5 95 93 A D H 3X S+ 0 0 61 -4,-3.0 4,-1.3 1,-0.3 -1,-0.3 0.849 94.5 55.9 -49.7 -39.3 15.9 30.2 -3.3 96 94 A E H << S+ 0 0 91 -3,-1.0 4,-0.3 -4,-0.8 -1,-0.3 0.843 109.4 45.7 -64.3 -34.5 18.5 32.5 -4.9 97 95 A X H XX S+ 0 0 10 -3,-0.7 4,-1.5 -4,-0.7 3,-1.3 0.862 107.1 57.1 -77.0 -36.7 19.6 33.6 -1.4 98 96 A H H 3X>S+ 0 0 56 -4,-2.6 4,-2.5 1,-0.3 5,-1.0 0.773 90.6 73.3 -61.9 -27.7 19.6 30.0 -0.1 99 97 A A H 3<5S+ 0 0 42 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.813 104.8 40.3 -54.2 -29.9 22.1 29.2 -2.8 100 98 A V H <>5S+ 0 0 1 -3,-1.3 4,-2.7 -4,-0.3 -2,-0.2 0.944 121.8 36.2 -82.0 -57.8 24.5 31.2 -0.7 101 99 A T H X5S+ 0 0 5 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.920 126.8 37.3 -69.0 -44.5 23.7 30.0 2.9 102 100 A E H X5S+ 0 0 77 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.843 116.3 55.1 -75.7 -34.0 22.9 26.4 2.0 103 101 A G H >< S+ 0 0 2 -4,-2.7 3,-1.2 1,-0.2 -2,-0.2 0.934 111.7 52.0 -65.1 -43.9 28.2 27.5 2.1 105 103 A A H 3< S+ 0 0 16 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.732 108.6 52.5 -63.5 -25.4 26.9 25.0 4.6 106 104 A A H 3< S+ 0 0 80 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.519 76.7 124.8 -90.3 -9.0 27.2 22.1 2.1 107 105 A L << - 0 0 19 -3,-1.2 4,-0.1 -4,-0.6 -3,-0.0 -0.293 60.7-137.5 -56.8 133.7 30.9 22.8 1.1 108 106 A P S S+ 0 0 65 0, 0.0 115,-0.2 0, 0.0 116,-0.1 0.699 79.4 62.9 -70.1 -18.8 33.0 19.6 1.7 109 107 A X S S- 0 0 16 1,-0.1 -51,-0.2 114,-0.1 2,-0.1 -0.516 99.9 -75.6-103.2 169.7 36.0 21.3 3.3 110 108 A P - 0 0 11 0, 0.0 -51,-2.2 0, 0.0 2,-0.5 -0.425 42.4-156.8 -64.0 134.8 36.4 23.4 6.5 111 109 A V E -d 59 0A 0 -53,-0.2 21,-2.0 -2,-0.1 20,-1.8 -0.970 4.0-163.3-115.3 124.3 35.0 26.9 6.4 112 110 A I E -de 60 132A 0 -53,-3.1 -51,-3.1 -2,-0.5 2,-0.6 -0.939 4.6-157.0-107.4 120.4 36.4 29.5 8.7 113 111 A A E -de 61 133A 2 19,-2.7 21,-2.8 -2,-0.5 2,-0.6 -0.891 6.5-166.2 -94.4 124.1 34.4 32.7 9.3 114 112 A A E -de 62 134A 0 -53,-3.0 -51,-0.5 -2,-0.6 2,-0.5 -0.909 13.4-168.9-114.7 101.3 36.7 35.5 10.5 115 113 A V E + e 0 135A 0 19,-2.9 21,-1.7 -2,-0.6 2,-0.3 -0.799 15.6 170.0-103.9 123.8 34.5 38.3 11.8 116 114 A H - 0 0 5 -2,-0.5 -49,-1.5 19,-0.2 -52,-0.1 -0.944 59.8 -13.9-121.7 153.4 35.5 41.8 12.7 117 115 A G S S+ 0 0 8 -2,-0.3 23,-1.9 -51,-0.2 -51,-0.1 -0.176 117.0 13.9 58.3-145.0 33.2 44.7 13.5 118 116 A W E + i 0 140C 110 21,-0.2 -50,-2.0 -53,-0.1 -51,-0.9 -0.311 50.8 177.2 -69.0 134.3 29.5 44.3 12.6 119 117 A C E +hi 68 141C 0 21,-2.6 23,-1.8 -52,-0.2 2,-0.4 -0.858 25.0 174.7-132.8 98.0 28.0 40.9 11.7 120 118 A I E > - 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0 0 110 -6,-0.4 -34,-0.3 -34,-0.1 -1,-0.2 -0.525 51.6-108.7 -92.4 156.0 19.7 43.4 19.8 178 176 A A - 0 0 38 -2,-0.2 2,-0.3 -36,-0.1 -36,-0.2 -0.349 19.6-151.4 -82.2 152.3 23.4 42.9 19.4 179 177 A I E -J 141 0C 12 -38,-2.5 -38,-2.5 -2,-0.1 2,-0.1 -0.918 19.1-124.0-116.9 153.0 25.9 40.9 21.4 180 178 A D E > -J 140 0C 62 -2,-0.3 4,-2.5 -40,-0.2 -40,-0.2 -0.295 29.8 -98.1 -89.1 175.3 29.6 41.6 21.8 181 179 A A H > S+ 0 0 2 -42,-0.8 4,-2.2 -44,-0.6 5,-0.2 0.899 121.5 53.2 -60.7 -44.6 32.6 39.4 21.2 182 180 A A H > S+ 0 0 53 -45,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.906 112.2 45.8 -58.3 -41.4 33.1 38.3 24.8 183 181 A T H > S+ 0 0 19 2,-0.2 4,-2.8 1,-0.2 6,-0.2 0.924 109.1 55.0 -68.7 -44.6 29.4 37.2 24.9 184 182 A A H X>S+ 0 0 0 -4,-2.5 5,-2.1 1,-0.2 6,-1.2 0.875 110.4 46.7 -53.6 -42.6 29.7 35.4 21.6 185 183 A E H ><5S+ 0 0 88 -4,-2.2 3,-0.6 4,-0.2 -1,-0.2 0.927 111.7 49.8 -68.6 -45.4 32.6 33.4 23.0 186 184 A R H 3<5S+ 0 0 169 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.903 113.1 48.0 -56.3 -40.4 30.8 32.6 26.2 187 185 A W H 3<5S- 0 0 38 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.656 115.6-114.7 -78.9 -15.4 27.8 31.4 24.2 188 186 A G T <<5S+ 0 0 32 -4,-0.9 -3,-0.2 -3,-0.6 -4,-0.1 0.517 82.4 121.6 91.5 7.5 29.9 29.3 21.9 189 187 A L S S- 0 0 79 -60,-0.1 4,-2.7 -59,-0.1 5,-0.1 -0.943 76.9 -81.6-159.6 173.1 42.1 43.3 16.4 197 195 A Q H > S+ 0 0 71 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.849 123.3 49.3 -53.9 -45.9 41.4 42.7 12.7 198 196 A D H > S+ 0 0 116 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.916 113.0 46.8 -64.1 -43.4 45.0 42.1 11.7 199 197 A A H > S+ 0 0 28 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.901 112.9 52.1 -62.0 -42.3 45.5 39.6 14.5 200 198 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.948 111.0 44.8 -56.4 -54.3 42.2 38.0 13.5 201 199 A F H X S+ 0 0 23 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.881 113.2 51.2 -63.2 -38.7 43.2 37.6 9.8 202 200 A A H X S+ 0 0 62 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.919 111.6 47.1 -62.4 -45.5 46.6 36.2 10.8 203 201 A R H X S+ 0 0 91 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.876 109.4 53.6 -64.2 -41.2 45.1 33.6 13.1 204 202 A A H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.913 109.6 49.2 -58.9 -44.0 42.5 32.6 10.4 205 203 A E H X S+ 0 0 46 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.888 112.7 47.4 -60.1 -42.4 45.4 32.0 8.0 206 204 A A H X S+ 0 0 48 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.910 111.5 49.4 -68.9 -43.4 47.3 30.0 10.6 207 205 A L H X S+ 0 0 19 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.894 110.2 52.1 -62.2 -41.4 44.3 27.9 11.5 208 206 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.913 107.8 51.8 -59.9 -44.1 43.7 27.3 7.7 209 207 A E H X S+ 0 0 87 -4,-2.1 4,-1.1 1,-0.2 -2,-0.2 0.892 110.1 49.9 -58.4 -41.6 47.3 26.1 7.4 210 208 A H H < S+ 0 0 118 -4,-2.1 4,-0.3 2,-0.2 3,-0.3 0.922 114.0 43.4 -61.6 -49.7 46.8 23.7 10.3 211 209 A L H >< S+ 0 0 18 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.875 108.9 57.3 -66.0 -40.1 43.6 22.2 8.8 212 210 A A H 3< S+ 0 0 7 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.770 100.7 59.5 -63.9 -26.3 45.1 22.0 5.3 213 211 A A T 3< S+ 0 0 84 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.631 94.6 84.8 -72.4 -15.9 47.8 19.8 6.8 214 212 A L S < S- 0 0 65 -3,-1.6 2,-0.2 -4,-0.3 5,-0.0 -0.528 100.7 -81.4 -89.3 155.1 45.2 17.3 7.9 215 213 A P > - 0 0 70 0, 0.0 4,-1.6 0, 0.0 3,-0.5 -0.384 38.8-143.4 -57.3 121.9 43.7 14.5 5.8 216 214 A A H > S+ 0 0 49 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.844 94.4 51.3 -58.2 -41.3 41.0 16.1 3.6 217 215 A K H > S+ 0 0 94 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.794 106.2 54.0 -74.1 -27.4 38.5 13.2 3.7 218 216 A A H > S+ 0 0 53 -3,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.897 109.8 48.5 -69.6 -40.8 38.5 12.9 7.5 219 217 A L H X S+ 0 0 35 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.909 113.0 48.9 -60.4 -43.6 37.7 16.6 7.8 220 218 A E H X S+ 0 0 34 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.913 110.8 48.4 -63.7 -46.5 34.9 16.0 5.2 221 219 A G H X S+ 0 0 9 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.855 111.3 51.4 -62.7 -38.0 33.4 13.0 7.0 222 220 A T H X S+ 0 0 85 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.933 111.4 46.6 -62.4 -50.1 33.5 14.8 10.3 223 221 A K H X S+ 0 0 16 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.895 111.8 52.3 -57.8 -43.7 31.6 17.8 8.8 224 222 A R H X S+ 0 0 144 -4,-2.6 4,-0.8 1,-0.2 -2,-0.2 0.941 110.2 47.5 -59.7 -48.0 29.1 15.5 7.1 225 223 A A H >< S+ 0 0 30 -4,-2.4 3,-0.7 1,-0.2 4,-0.3 0.905 112.5 48.3 -61.0 -44.6 28.4 13.7 10.4 226 224 A L H 3< S+ 0 0 150 -4,-2.3 3,-0.2 1,-0.2 -1,-0.2 0.824 120.3 37.8 -67.6 -29.8 27.9 16.9 12.4 227 225 A S H 3< S+ 0 0 83 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.391 87.8 95.6-100.4 -1.7 25.6 18.4 9.8 228 226 A D << - 0 0 53 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.1 0.762 68.1-151.9 -69.1 -24.6 23.6 15.4 8.7 229 227 A G + 0 0 77 -4,-0.3 -1,-0.1 -3,-0.2 -3,-0.1 0.681 46.5 143.0 61.0 18.6 20.6 15.9 11.0 230 228 A L - 0 0 69 -5,-0.2 -1,-0.2 1,-0.1 -2,-0.1 -0.492 60.3 -88.1 -86.7 157.6 20.1 12.2 11.0 231 229 A P > - 0 0 84 0, 0.0 4,-2.8 0, 0.0 3,-0.4 -0.274 50.0 -99.1 -57.7 154.5 18.9 10.0 14.0 232 230 A H H > S+ 0 0 150 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.865 120.5 44.6 -40.5 -60.1 21.7 8.8 16.2 233 231 A A H > S+ 0 0 70 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.859 115.9 47.0 -62.8 -37.0 22.0 5.3 14.8 234 232 A E H > S+ 0 0 114 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.894 113.9 46.9 -70.1 -42.8 21.8 6.4 11.1 235 233 A S H X S+ 0 0 23 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.921 114.7 48.3 -64.7 -43.5 24.4 9.2 11.7 236 234 A L H X S+ 0 0 98 -4,-2.9 4,-2.1 -5,-0.3 -2,-0.2 0.942 110.9 49.1 -59.8 -51.0 26.7 6.8 13.5 237 235 A A H X S+ 0 0 61 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.847 109.6 53.5 -60.3 -35.5 26.3 4.1 10.8 238 236 A A H X S+ 0 0 47 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.845 106.6 51.2 -69.4 -36.2 27.1 6.7 8.1 239 237 A A H X S+ 0 0 34 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.909 109.9 50.2 -64.4 -41.6 30.3 7.7 9.9 240 238 A V H X S+ 0 0 93 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.944 111.1 48.7 -60.2 -48.0 31.4 4.1 10.0 241 239 A R H X S+ 0 0 162 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.878 107.9 55.4 -59.3 -40.4 30.7 3.7 6.3 242 240 A W H X S+ 0 0 37 -4,-2.0 4,-2.1 1,-0.2 5,-0.2 0.928 109.0 46.6 -59.8 -46.5 32.7 6.8 5.6 243 241 A N H X S+ 0 0 76 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.900 107.0 57.7 -60.8 -41.8 35.8 5.4 7.4 244 242 A A H < S+ 0 0 82 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.912 116.0 37.0 -54.2 -40.3 35.4 2.1 5.5 245 243 A E H < S+ 0 0 115 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.794 128.8 28.2 -82.1 -30.5 35.7 4.0 2.3 246 244 A H H < S+ 0 0 53 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.580 84.9 104.2-119.4 -15.6 38.2 6.7 3.2 247 245 A X < - 0 0 109 -4,-2.5 2,-0.3 -5,-0.2 3,-0.1 -0.455 50.3-166.4 -65.5 145.1 40.6 5.5 5.9 248 246 A T > - 0 0 68 1,-0.1 4,-1.4 -2,-0.1 5,-0.1 -0.965 33.2-128.2-132.9 152.2 44.1 4.5 4.6 249 247 A V H > S+ 0 0 91 -2,-0.3 4,-2.3 1,-0.2 3,-0.2 0.914 111.7 57.4 -57.6 -43.2 47.1 2.6 6.0 250 248 A E H > S+ 0 0 131 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.846 103.4 50.2 -58.7 -41.5 49.2 5.6 5.0 251 249 A A H > S+ 0 0 42 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.820 110.3 51.1 -71.2 -31.8 47.2 8.2 7.1 252 250 A L H < S+ 0 0 112 -4,-1.4 -2,-0.2 -3,-0.2 -1,-0.2 0.953 113.2 45.0 -63.6 -50.8 47.4 5.9 10.2 253 251 A Q H < S+ 0 0 152 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.868 113.7 49.4 -62.6 -40.7 51.2 5.6 9.8 254 252 A A H < 0 0 91 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.877 360.0 360.0 -68.1 -41.0 51.7 9.4 9.1 255 253 A G < 0 0 98 -4,-1.7 0, 0.0 -5,-0.2 0, 0.0 -0.391 360.0 360.0 -74.8 360.0 49.7 10.5 12.1