==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUPEROXIDE DISMUTASE 29-SEP-94 1IDS . COMPND 2 MOLECULE: IRON SUPEROXIDE DISMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR J.B.COOPER,K.MCINTYRE,S.P.WOOD,Y.ZHANG,D.YOUNG . 792 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28535.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 573 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 90 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 36 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 352 44.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 3.0 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 4 0 0 4 0 4 1 3 5 3 0 0 0 0 0 0 0 3 1 2 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 10 0 0 0 0 2 2 4 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 A 0 0 128 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0-147.8 -3.2 29.8 21.0 2 3 A E - 0 0 153 1,-0.1 2,-0.3 0, 0.0 34,-0.0 -0.431 360.0-100.5 -88.7 170.8 -4.2 31.9 24.0 3 4 A Y - 0 0 11 33,-0.2 2,-0.3 -2,-0.1 37,-0.1 -0.753 44.8-158.6 -89.2 140.2 -5.0 30.6 27.4 4 5 A T - 0 0 101 -2,-0.3 33,-0.0 -3,-0.0 0, 0.0 -0.866 24.6-110.6-122.6 158.4 -8.7 30.4 28.1 5 6 A L - 0 0 57 -2,-0.3 2,-0.1 24,-0.0 28,-0.1 -0.760 43.5-135.0 -80.9 112.9 -11.0 30.3 31.1 6 7 A P - 0 0 39 0, 0.0 2,-0.2 0, 0.0 -1,-0.0 -0.375 17.4-113.2 -71.2 155.9 -12.4 26.7 31.0 7 8 A D - 0 0 139 1,-0.1 2,-0.1 -2,-0.1 72,-0.0 -0.592 30.3-111.2 -85.5 150.3 -16.1 26.2 31.5 8 9 A L - 0 0 29 -2,-0.2 -1,-0.1 2,-0.1 72,-0.1 -0.471 12.2-136.4 -79.4 154.1 -17.4 24.4 34.6 9 10 A D S S+ 0 0 111 70,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.243 86.5 33.8 -91.5 10.7 -19.0 20.9 34.1 10 11 A W S S- 0 0 36 73,-0.0 -2,-0.1 74,-0.0 2,-0.1 -0.981 95.5 -79.7-158.0 165.5 -21.7 21.9 36.6 11 12 A D > - 0 0 123 -2,-0.3 3,-2.3 1,-0.1 4,-0.2 -0.387 47.1-110.9 -69.0 146.4 -23.8 24.8 37.9 12 13 A Y T 3 S+ 0 0 64 1,-0.3 3,-0.4 2,-0.1 12,-0.2 0.786 118.1 44.0 -48.8 -37.9 -22.1 27.2 40.4 13 14 A G T > S+ 0 0 24 1,-0.2 3,-1.1 2,-0.1 -1,-0.3 0.228 81.6 101.7 -97.0 14.0 -24.4 26.0 43.2 14 15 A A T < S+ 0 0 37 -3,-2.3 -1,-0.2 1,-0.2 -2,-0.1 0.641 78.3 56.3 -71.2 -18.1 -24.1 22.2 42.4 15 16 A L T >> S+ 0 0 1 -3,-0.4 3,-1.5 4,-0.3 4,-1.3 0.424 90.3 162.4 -94.4 -1.3 -21.6 21.7 45.3 16 17 A E T <4 + 0 0 112 -3,-1.1 4,-0.1 1,-0.3 -3,-0.0 -0.291 54.4 17.8 -63.9 148.5 -23.8 23.1 48.0 17 18 A P T 34 S+ 0 0 92 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -0.943 126.5 53.0 -94.5 14.9 -23.8 22.9 50.9 18 19 A H T <4 S+ 0 0 60 -3,-1.5 2,-0.4 1,-0.3 -2,-0.2 0.910 127.9 13.9 -69.0 -44.0 -20.2 21.7 50.9 19 20 A I S < S- 0 0 4 -4,-1.3 -1,-0.3 160,-0.1 -4,-0.3 -0.980 91.1-119.1-136.5 117.9 -19.0 24.7 48.8 20 21 A S > - 0 0 15 -2,-0.4 4,-1.7 -3,-0.2 3,-0.1 -0.205 9.9-131.9 -60.0 145.4 -21.3 27.8 48.3 21 22 A G H > S+ 0 0 12 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.739 109.1 61.6 -66.0 -27.5 -22.5 28.8 44.8 22 23 A Q H > S+ 0 0 123 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.917 105.1 43.8 -65.4 -48.8 -21.4 32.3 45.8 23 24 A I H > S+ 0 0 3 1,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.872 112.0 55.5 -64.7 -40.6 -17.7 31.3 46.3 24 25 A N H X S+ 0 0 1 -4,-1.7 4,-2.3 -12,-0.2 5,-0.4 0.875 108.9 45.4 -60.7 -44.9 -17.9 29.3 43.0 25 26 A E H X S+ 0 0 103 -4,-2.0 4,-2.3 2,-0.2 5,-0.5 0.954 118.5 42.0 -67.2 -48.2 -19.0 32.2 40.9 26 27 A L H X>S+ 0 0 25 -4,-1.9 4,-2.1 3,-0.2 5,-1.6 0.946 116.8 49.3 -59.9 -50.2 -16.5 34.6 42.4 27 28 A H H <>S+ 0 0 2 -4,-3.0 5,-2.7 3,-0.2 -2,-0.2 0.896 122.9 30.4 -54.8 -52.0 -13.7 32.0 42.3 28 29 A H H <>S+ 0 0 13 -4,-2.3 5,-1.0 -5,-0.2 -2,-0.2 0.966 125.9 39.9 -75.1 -60.6 -14.3 31.0 38.7 29 30 A S H <5S+ 0 0 39 -4,-2.3 -3,-0.2 -5,-0.4 -2,-0.2 0.707 132.0 19.4 -67.1 -27.1 -15.5 34.2 37.2 30 31 A K T X5S+ 0 0 101 -4,-2.1 4,-1.5 -5,-0.5 -3,-0.2 0.831 128.3 34.1-108.8 -63.1 -13.2 36.6 39.0 31 32 A H H >S+ 0 0 8 -4,-2.8 5,-2.5 1,-0.2 4,-0.3 0.895 110.4 45.2 -61.2 -43.3 11.0 41.7 25.2 50 51 A R H <5S+ 0 0 26 -4,-1.7 -1,-0.2 3,-0.2 -2,-0.2 0.815 112.3 52.4 -69.7 -35.1 12.5 39.3 22.6 51 52 A A H <5S+ 0 0 66 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.878 116.1 37.9 -69.0 -43.9 11.4 41.6 19.7 52 53 A K T <5S- 0 0 140 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.420 106.9-128.9 -86.9 -2.6 13.0 44.7 21.2 53 54 A E T 5 + 0 0 121 -4,-0.3 2,-0.5 -5,-0.2 -3,-0.2 0.883 65.4 134.1 53.8 40.6 16.0 42.5 22.5 54 55 A D < + 0 0 82 -5,-2.5 3,-0.2 -6,-0.2 -1,-0.2 -0.926 24.3 163.8-126.6 107.5 15.4 44.1 25.9 55 56 A H > + 0 0 31 -2,-0.5 3,-1.4 1,-0.2 4,-0.2 -0.195 36.5 122.3-111.1 33.7 15.4 41.7 28.9 56 57 A S T 3 S+ 0 0 89 1,-0.3 -1,-0.2 2,-0.1 3,-0.2 0.673 83.0 41.5 -70.7 -17.4 15.9 44.4 31.6 57 58 A A T 3> S+ 0 0 26 -3,-0.2 4,-2.5 1,-0.1 3,-0.3 -0.022 76.1 124.2-118.4 25.1 12.7 43.2 33.3 58 59 A I H <> S+ 0 0 4 -3,-1.4 4,-2.1 1,-0.2 5,-0.2 0.829 71.6 55.3 -55.6 -38.2 13.3 39.4 32.8 59 60 A L H > S+ 0 0 9 -4,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.920 111.9 43.6 -64.6 -41.3 12.9 38.8 36.6 60 61 A L H > S+ 0 0 15 -3,-0.3 4,-2.8 2,-0.2 5,-0.3 0.922 114.4 48.5 -68.2 -47.9 9.4 40.4 36.6 61 62 A N H X S+ 0 0 16 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.876 113.1 48.1 -63.2 -37.4 8.2 38.8 33.3 62 63 A E H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.858 113.6 47.2 -73.2 -34.8 9.4 35.3 34.5 63 64 A K H X S+ 0 0 15 -4,-1.6 4,-2.6 -5,-0.2 5,-0.2 0.909 113.5 46.8 -72.1 -43.5 7.7 35.8 37.9 64 65 A N H X S+ 0 0 43 -4,-2.8 4,-1.9 2,-0.2 5,-0.3 0.885 113.8 50.9 -64.3 -36.8 4.4 37.0 36.4 65 66 A L H X S+ 0 0 0 -4,-1.7 4,-2.6 -5,-0.3 5,-0.3 0.959 114.6 41.3 -63.3 -54.6 4.6 34.1 33.9 66 67 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 5,-0.2 0.885 116.5 48.2 -59.8 -49.8 5.1 31.5 36.6 67 68 A F H X S+ 0 0 14 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.886 119.7 36.3 -62.2 -47.1 2.6 32.9 39.1 68 69 A N H X S+ 0 0 18 -4,-1.9 4,-2.7 -5,-0.2 -29,-0.3 0.864 117.5 50.3 -77.1 -41.4 -0.3 33.3 36.7 69 70 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.3 -2,-0.2 0.884 115.5 45.0 -63.7 -39.8 0.5 30.2 34.6 70 71 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.3 -2,-0.2 0.896 111.9 52.2 -70.4 -40.3 0.6 28.2 37.9 71 72 A G H X S+ 0 0 0 -4,-1.6 4,-1.7 -5,-0.2 -2,-0.2 0.933 113.4 44.5 -59.9 -48.5 -2.6 30.0 39.1 72 73 A H H X S+ 0 0 6 -4,-2.7 4,-1.9 -37,-0.3 -2,-0.2 0.915 113.9 49.6 -62.8 -47.3 -4.4 29.0 35.8 73 74 A V H X S+ 0 0 11 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.901 110.3 49.5 -60.8 -46.1 -3.1 25.4 35.9 74 75 A N H X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.832 113.3 45.3 -62.7 -41.5 -4.1 24.8 39.5 75 76 A H H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.842 106.7 58.6 -74.4 -35.2 -7.7 26.1 39.1 76 77 A T H X S+ 0 0 27 -4,-1.9 4,-1.0 1,-0.2 -2,-0.2 0.908 112.6 40.6 -59.8 -42.9 -8.3 24.2 35.8 77 78 A I H X S+ 0 0 12 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.844 110.3 60.9 -74.0 -33.4 -7.5 20.9 37.6 78 79 A W H X S+ 0 0 2 -4,-1.4 4,-0.6 2,-0.2 -2,-0.2 0.915 103.4 48.3 -57.5 -51.8 -9.5 22.1 40.7 79 80 A W H < S+ 0 0 10 -4,-2.3 3,-0.4 1,-0.2 -70,-0.2 0.821 115.3 45.9 -59.6 -37.3 -12.8 22.5 38.7 80 81 A K H < S+ 0 0 81 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.757 106.1 58.8 -76.4 -31.9 -12.3 19.0 37.2 81 82 A N H < S+ 0 0 0 -4,-2.1 104,-3.3 -3,-0.1 2,-0.3 0.567 98.7 76.1 -74.4 -12.0 -11.4 17.4 40.6 82 83 A L B < +A 184 0A 1 -4,-0.6 102,-0.2 -3,-0.4 3,-0.1 -0.778 55.8 166.5-103.7 150.3 -14.8 18.5 42.0 83 84 A S > - 0 0 13 100,-2.2 3,-1.4 -2,-0.3 103,-0.1 -0.957 39.8-140.9-160.4 140.1 -18.2 16.9 41.3 84 85 A P T 3 S+ 0 0 54 0, 0.0 -1,-0.1 0, 0.0 100,-0.1 0.788 114.1 48.2 -69.0 -28.2 -21.7 17.0 42.7 85 86 A N T 3 S+ 0 0 156 98,-0.1 98,-0.1 -3,-0.1 -70,-0.0 0.072 101.5 102.5 -96.3 18.4 -21.9 13.3 42.2 86 87 A G < + 0 0 21 -3,-1.4 2,-0.3 96,-0.1 99,-0.2 -0.022 36.1 79.4 -88.9-165.8 -18.5 13.0 43.9 87 88 A G + 0 0 6 97,-2.4 99,-0.3 1,-0.1 95,-0.2 -0.748 52.7 87.4 104.3-150.7 -17.4 11.9 47.3 88 89 A D S S- 0 0 150 -2,-0.3 -1,-0.1 94,-0.1 96,-0.1 -0.135 86.2 -54.1 54.5-147.7 -17.0 8.3 48.6 89 90 A K - 0 0 115 1,-0.0 2,-0.1 97,-0.0 6,-0.1 -0.848 51.5 -97.7-126.4 161.4 -13.7 6.6 48.0 90 91 A P - 0 0 10 0, 0.0 2,-0.3 0, 0.0 15,-0.1 -0.403 40.2-159.3 -74.1 154.9 -11.5 5.8 45.0 91 92 A T >> + 0 0 93 95,-0.1 4,-0.6 -2,-0.1 3,-0.5 -0.835 44.4 8.3-131.8 169.0 -11.7 2.3 43.4 92 93 A G H 3> S- 0 0 58 -2,-0.3 4,-1.8 1,-0.2 5,-0.2 -0.370 122.5 -4.0 66.8-137.0 -9.6 0.1 41.1 93 94 A E H 3> S+ 0 0 129 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.923 135.2 50.9 -51.1 -60.7 -6.0 1.0 40.3 94 95 A L H <> S+ 0 0 0 -3,-0.5 4,-2.7 1,-0.2 5,-0.3 0.888 109.0 51.7 -48.9 -49.5 -6.0 4.4 42.1 95 96 A A H X S+ 0 0 31 -4,-0.6 4,-1.9 1,-0.2 -1,-0.2 0.923 115.1 41.9 -56.2 -47.8 -7.4 2.8 45.3 96 97 A A H X S+ 0 0 63 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.836 113.5 53.6 -67.9 -37.7 -4.7 0.2 45.3 97 98 A A H X S+ 0 0 13 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.881 110.8 45.8 -64.7 -44.4 -2.0 2.8 44.3 98 99 A I H X S+ 0 0 1 -4,-2.7 4,-3.0 2,-0.2 5,-0.4 0.894 113.5 48.2 -66.5 -45.1 -3.0 5.1 47.2 99 100 A A H X S+ 0 0 42 -4,-1.9 4,-1.6 -5,-0.3 -2,-0.2 0.890 114.3 48.2 -63.4 -38.7 -3.0 2.2 49.7 100 101 A D H < S+ 0 0 143 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.818 120.0 37.6 -69.9 -36.7 0.4 1.0 48.4 101 102 A A H < S+ 0 0 28 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.761 131.5 24.2 -90.4 -28.1 1.8 4.5 48.6 102 103 A F H < S- 0 0 4 -4,-3.0 2,-0.4 -5,-0.1 -3,-0.2 0.440 100.3-114.4-119.7 -2.4 0.3 5.8 51.8 103 104 A G S < S+ 0 0 55 -4,-1.6 2,-0.3 -5,-0.4 -4,-0.1 -0.350 89.0 1.4 99.0 -49.7 -0.6 2.7 53.8 104 105 A S S > S- 0 0 38 -2,-0.4 4,-1.6 -6,-0.2 5,-0.1 -0.968 75.0-104.7-159.9 164.9 -4.3 3.3 53.6 105 106 A F H > S+ 0 0 23 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.870 123.5 50.5 -64.4 -35.6 -6.8 5.7 52.1 106 107 A D H > S+ 0 0 83 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.816 107.5 51.6 -71.9 -31.1 -7.3 7.1 55.7 107 108 A K H > S+ 0 0 57 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.825 111.7 48.7 -74.3 -29.3 -3.6 7.5 56.2 108 109 A F H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 5,-0.2 0.889 109.5 51.9 -72.2 -42.0 -3.5 9.4 52.8 109 110 A R H X S+ 0 0 96 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.917 108.7 51.2 -60.6 -46.4 -6.5 11.6 54.0 110 111 A A H X S+ 0 0 47 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.856 113.0 43.4 -60.7 -43.0 -4.7 12.5 57.2 111 112 A Q H X S+ 0 0 2 -4,-1.3 4,-2.6 2,-0.2 5,-0.2 0.916 114.3 49.4 -71.0 -46.2 -1.5 13.6 55.5 112 113 A F H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.871 112.9 49.2 -58.3 -40.8 -3.3 15.5 52.8 113 114 A H H X S+ 0 0 48 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.935 111.3 47.7 -66.8 -48.8 -5.5 17.2 55.4 114 115 A A H X S+ 0 0 13 -4,-2.0 4,-0.7 1,-0.2 -2,-0.2 0.917 112.4 49.4 -59.8 -45.4 -2.4 18.2 57.6 115 116 A A H < S+ 0 0 0 -4,-2.6 3,-0.5 1,-0.2 -1,-0.2 0.871 113.0 48.8 -61.1 -39.3 -0.6 19.5 54.5 116 117 A A H < S+ 0 0 1 -4,-1.8 3,-0.4 1,-0.2 -2,-0.2 0.845 114.6 42.4 -68.9 -41.9 -3.6 21.5 53.5 117 118 A T H < S+ 0 0 23 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.347 107.2 59.9 -91.8 2.6 -4.3 23.1 56.9 118 119 A T < + 0 0 48 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.1 0.272 68.4 129.6-112.9 7.6 -0.7 24.0 57.9 119 120 A V - 0 0 8 -3,-0.4 2,-1.1 -4,-0.2 4,-0.1 -0.389 55.1-139.2 -65.1 136.5 0.2 26.3 55.0 120 121 A Q S S- 0 0 23 2,-0.1 2,-0.3 -2,-0.1 -1,-0.1 -0.704 76.9 -19.9-100.8 82.6 1.7 29.6 56.2 121 122 A G S S- 0 0 14 -2,-1.1 2,-0.2 39,-0.1 -2,-0.0 -0.925 121.2 -8.9 119.6-144.0 -0.0 32.1 53.9 122 123 A S S S+ 0 0 4 -2,-0.3 21,-2.8 39,-0.1 2,-0.3 -0.580 81.2 118.4 -85.7 147.9 -1.6 31.1 50.6 123 124 A G E -B 142 0B 0 19,-0.3 37,-1.9 -2,-0.2 2,-0.3 -0.979 44.8-117.3 176.3-177.3 -1.1 27.6 49.2 124 125 A W E -BC 141 159B 0 17,-1.6 17,-1.7 -2,-0.3 2,-0.4 -0.886 17.8-126.0-138.2 163.7 -2.6 24.3 48.1 125 126 A A E -BC 140 158B 0 33,-1.9 33,-1.9 -2,-0.3 2,-0.4 -0.935 37.5-169.8-107.4 131.8 -2.4 20.6 49.0 126 127 A A E -BC 139 157B 1 13,-2.4 13,-2.9 -2,-0.4 2,-0.5 -0.995 27.1-156.0-139.8 142.9 -1.5 18.4 46.1 127 128 A L E +BC 138 156B 0 29,-2.6 28,-3.2 -2,-0.4 29,-1.2 -0.937 35.4 171.3-103.1 115.3 -1.3 14.7 45.2 128 129 A G E -BC 137 154B 1 9,-3.6 9,-2.9 -2,-0.5 2,-0.5 -0.864 35.3-120.2-130.4 169.2 1.2 14.3 42.3 129 130 A W E -BC 136 153B 29 24,-2.0 24,-2.3 -2,-0.3 2,-0.9 -0.927 20.7-145.7-108.9 116.4 3.0 11.6 40.3 130 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S+ 0 0 2 1,-0.3 -1,-0.3 2,-0.2 4,-0.2 0.649 91.2 68.2 -68.3 -13.6 30.5 32.5 47.9 761 165 D A G <4 S+ 0 0 2 -3,-2.2 -1,-0.3 1,-0.1 -2,-0.2 0.669 123.9 3.5 -80.5 -14.9 31.4 33.1 51.5 762 166 D F T X>>S+ 0 0 5 -3,-1.5 4,-3.4 -4,-0.3 5,-0.7 0.507 99.0 98.6-145.7 -13.7 33.2 29.9 51.9 763 167 D Y H 3X5S+ 0 0 2 -4,-2.6 4,-2.0 3,-0.2 -3,-0.1 0.879 81.4 53.4 -48.3 -57.9 33.5 27.9 48.7 764 168 D L H 345S+ 0 0 20 -4,-0.2 -1,-0.2 1,-0.2 -4,-0.1 0.844 126.6 25.2 -48.3 -39.9 37.0 28.8 47.4 765 169 D Q H <45S+ 0 0 55 -3,-0.6 -2,-0.2 2,-0.1 -1,-0.2 0.896 137.0 23.9 -93.3 -55.8 38.4 27.7 50.8 766 170 D Y H ><5S- 0 0 39 -4,-3.4 3,-1.6 1,-0.3 2,-0.3 0.605 82.1-165.5 -91.9 -15.5 36.0 25.2 52.3 767 171 D K T 3< + 0 0 57 -3,-1.6 3,-0.9 1,-0.2 4,-0.8 -0.477 43.3 165.1 -77.2 77.0 32.1 21.5 53.8 770 174 D K H 3> + 0 0 74 -2,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.735 65.7 64.7 -64.1 -28.6 30.0 24.4 55.1 771 175 D V H 3> S+ 0 0 61 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.751 97.2 54.8 -72.7 -21.4 30.2 23.3 58.8 772 176 D D H <> S+ 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0 0 37 -104,-3.4 4,-1.5 -99,-0.2 3,-0.9 -0.730 23.2 177.0 -95.9 85.0 34.2 40.8 67.1 783 187 D W H 3> S+ 0 0 14 -2,-1.2 4,-2.0 -99,-0.3 -1,-0.2 0.646 75.1 65.9 -61.3 -20.4 32.2 40.6 70.4 784 188 D A H 3> S+ 0 0 61 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.892 103.5 45.3 -71.3 -39.1 33.1 44.3 71.1 785 189 D D H <> S+ 0 0 25 -3,-0.9 4,-1.8 -108,-0.2 -2,-0.2 0.894 114.5 48.0 -69.2 -42.1 31.0 45.4 68.0 786 190 D V H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.857 110.6 52.0 -67.2 -36.1 28.1 43.0 69.0 787 191 D Q H X S+ 0 0 55 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.887 110.1 49.3 -65.8 -39.7 28.3 44.3 72.6 788 192 D S H X S+ 0 0 78 -4,-1.6 4,-1.4 2,-0.2 -2,-0.2 0.868 111.2 49.5 -65.9 -39.8 28.1 47.9 71.3 789 193 D R H X S+ 0 0 62 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.893 110.4 49.5 -68.2 -43.5 25.1 46.9 69.1 790 194 D Y H X S+ 0 0 31 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.890 109.3 52.4 -64.1 -41.8 23.2 45.2 72.0 791 195 D A H X S+ 0 0 40 -4,-1.9 4,-0.5 1,-0.2 -1,-0.2 0.853 111.9 46.1 -63.4 -37.5 23.8 48.3 74.2 792 196 D A H < S+ 0 0 73 -4,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.822 112.7 50.3 -74.7 -34.9 22.3 50.5 71.5 793 197 D A H < S+ 0 0 23 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.873 109.8 49.4 -71.6 -40.3 19.4 48.2 70.9 794 198 D T H < 0 0 55 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.632 360.0 360.0 -75.7 -14.6 18.5 48.0 74.6 795 199 D S < 0 0 141 -4,-0.5 -2,-0.2 -5,-0.2 -1,-0.2 0.831 360.0 360.0 -98.3 360.0 18.6 51.8 74.9