==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 03-DEC-04 1Y67 . COMPND 2 MOLECULE: MANGANESE SUPEROXIDE DISMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: DEINOCOCCUS RADIODURANS; . AUTHOR S.CHAN,S.TANAKA,M.R.SAWAYA,L.J.PERRY . 832 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36101.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 565 67.9 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 . 78 9.4 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 . 5 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 . 27 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 107 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 331 39.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 2.8 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 12 0 0 0 4 4 0 6 2 5 3 0 0 0 0 2 0 0 2 0 0 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 . 5 0 0 0 0 4 0 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 4 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 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 A 0 0 119 0, 0.0 40,-0.0 0, 0.0 36,-0.0 0.000 360.0 360.0 360.0 156.1 -11.7 37.1 4.3 2 2 A A + 0 0 39 38,-0.1 2,-0.3 34,-0.1 34,-0.0 0.929 360.0 25.7 -63.4 -47.9 -9.8 34.0 3.4 3 3 A Y - 0 0 16 33,-0.2 2,-0.3 49,-0.0 -1,-0.1 -0.843 63.3-161.6-119.7 152.1 -11.8 31.5 5.5 4 4 A T - 0 0 112 -2,-0.3 -2,-0.0 -3,-0.0 29,-0.0 -0.908 37.1 -95.1-125.9 158.6 -15.4 31.4 6.7 5 5 A L - 0 0 43 -2,-0.3 2,-0.1 1,-0.1 28,-0.0 -0.613 46.7-128.5 -70.4 124.0 -17.0 29.3 9.5 6 6 A P - 0 0 40 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.433 17.7-112.9 -75.3 149.7 -18.5 26.2 7.9 7 7 A Q - 0 0 184 -2,-0.1 78,-0.0 1,-0.1 0, 0.0 -0.560 36.0-111.3 -71.7 143.9 -22.0 25.2 8.6 8 8 A L - 0 0 14 -2,-0.2 -1,-0.1 2,-0.1 78,-0.1 -0.445 15.8-126.1 -69.9 150.1 -22.4 22.0 10.5 9 9 A P S S+ 0 0 84 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.389 92.9 21.5 -73.5 4.7 -23.8 18.9 8.7 10 10 A Y S S- 0 0 35 79,-0.1 -2,-0.1 5,-0.0 5,-0.0 -0.945 97.0 -76.1-161.6 167.5 -26.5 18.6 11.5 11 11 A A > - 0 0 59 -2,-0.3 3,-1.9 1,-0.1 4,-0.2 -0.291 47.2-105.3 -73.8 161.7 -28.2 20.6 14.2 12 12 A Y T 3 S+ 0 0 69 1,-0.3 3,-0.4 2,-0.1 12,-0.3 0.777 121.8 45.9 -59.4 -28.9 -26.4 21.5 17.5 13 13 A D T > S+ 0 0 104 1,-0.2 3,-1.2 2,-0.1 -1,-0.3 0.301 83.8 99.7 -95.2 8.0 -28.5 18.9 19.5 14 14 A A T < S+ 0 0 10 -3,-1.9 77,-0.3 1,-0.3 -1,-0.2 0.671 80.9 50.0 -71.1 -18.8 -28.0 16.2 16.8 15 15 A L T >> S+ 0 0 1 -3,-0.4 4,-1.8 -4,-0.2 3,-0.9 0.281 91.7 166.7-104.6 7.9 -25.2 14.4 18.8 16 16 A E T <4 + 0 0 91 -3,-1.2 4,-0.1 1,-0.3 -3,-0.0 -0.396 55.7 14.8 -64.9 144.8 -27.1 14.3 22.1 17 17 A P T 34 S+ 0 0 92 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -0.981 125.4 55.6 -88.8 4.6 -26.6 12.8 24.6 18 18 A H T <4 S+ 0 0 51 -3,-0.9 2,-0.4 1,-0.3 -2,-0.2 0.897 125.7 15.8 -65.5 -44.1 -23.0 11.9 23.6 19 19 A I S < S- 0 0 5 -4,-1.8 -1,-0.3 172,-0.1 -4,-0.2 -0.999 92.3-121.5-128.6 130.7 -22.0 15.5 23.0 20 20 A D > - 0 0 20 -2,-0.4 4,-2.3 -3,-0.2 5,-0.1 -0.406 13.4-125.4 -74.8 144.9 -24.3 18.2 24.5 21 21 A A H > S+ 0 0 25 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.826 109.5 55.5 -52.7 -40.0 -25.9 20.9 22.3 22 22 A R H > S+ 0 0 135 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.950 108.7 47.4 -65.5 -47.1 -24.4 23.8 24.4 23 23 A T H > S+ 0 0 0 2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.931 111.0 51.8 -54.2 -49.3 -20.9 22.5 23.9 24 24 A M H X S+ 0 0 0 -4,-2.3 4,-2.0 -12,-0.3 -2,-0.2 0.920 112.1 46.5 -57.3 -45.9 -21.5 22.0 20.1 25 25 A E H X S+ 0 0 101 -4,-2.5 4,-3.3 2,-0.2 5,-0.3 0.925 118.1 40.1 -62.4 -48.6 -22.8 25.6 19.9 26 26 A I H X>S+ 0 0 20 -4,-2.6 4,-2.0 1,-0.2 5,-1.9 0.917 114.5 53.1 -69.6 -42.0 -19.9 27.2 21.9 27 27 A H H <>S+ 0 0 2 -4,-3.4 5,-2.4 -5,-0.3 -1,-0.2 0.881 120.2 34.8 -57.3 -40.2 -17.3 24.9 20.3 28 28 A H H <>S+ 0 0 9 -4,-2.0 5,-1.2 -5,-0.3 -2,-0.2 0.935 125.2 35.3 -80.3 -53.9 -18.6 26.0 16.8 29 29 A T H <5S+ 0 0 42 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.608 132.2 24.0 -86.2 -14.5 -19.5 29.7 17.3 30 30 A K T X5S+ 0 0 100 -4,-2.0 4,-1.9 -5,-0.3 -3,-0.2 0.750 128.8 32.2-112.7 -61.7 -16.8 30.7 19.7 31 31 A H H >< S+ 0 0 0 -4,-1.7 3,-1.6 1,-0.1 6,-0.4 0.669 85.6 91.9 -91.4 -19.9 -3.4 35.8 6.1 44 44 A E T 3< S+ 0 0 161 -4,-1.4 2,-0.2 1,-0.3 -1,-0.1 0.849 94.3 36.1 -43.6 -50.4 -4.6 39.4 5.2 45 45 A G T 3 S+ 0 0 64 -4,-0.4 -1,-0.3 -3,-0.1 2,-0.3 -0.260 108.2 80.7-104.4 46.8 -1.2 40.6 4.1 46 46 A T S < S- 0 0 20 -3,-1.6 3,-0.4 -2,-0.2 -3,-0.1 -0.863 79.1-118.6-140.9 173.9 0.1 37.4 2.4 47 47 A E S S+ 0 0 169 -2,-0.3 3,-0.2 1,-0.2 -3,-0.1 0.085 101.4 77.2 -98.7 19.3 0.1 35.3 -0.8 48 48 A F > + 0 0 11 -5,-0.3 3,-1.2 1,-0.1 -1,-0.2 0.406 61.9 94.7-109.6 -0.9 -1.3 32.4 1.2 49 49 A A T 3 S+ 0 0 30 -3,-0.4 -1,-0.1 -6,-0.4 -2,-0.1 0.688 82.2 54.7 -66.7 -20.7 -4.9 33.6 1.4 50 50 A D T 3 S+ 0 0 161 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.513 84.6 102.3 -94.5 -5.5 -6.1 31.7 -1.6 51 51 A L S < S- 0 0 44 -3,-1.2 2,-0.0 1,-0.1 -3,-0.0 -0.532 81.5-108.3 -77.8 140.4 -4.9 28.2 -0.5 52 52 A P >> - 0 0 66 0, 0.0 4,-2.3 0, 0.0 3,-1.2 -0.437 36.2-115.9 -56.4 145.5 -7.3 25.6 0.8 53 53 A V H 3> S+ 0 0 15 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.875 114.5 57.5 -57.6 -39.1 -6.6 25.4 4.6 54 54 A E H 34 S+ 0 0 93 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.732 110.9 44.0 -66.9 -22.3 -5.4 21.7 4.3 55 55 A Q H X4 S+ 0 0 78 -3,-1.2 3,-0.9 2,-0.1 4,-0.4 0.840 109.1 56.7 -84.2 -40.4 -2.8 22.8 1.8 56 56 A L H >< S+ 0 0 0 -4,-2.3 3,-2.2 1,-0.3 -2,-0.2 0.929 103.6 52.9 -56.6 -47.3 -1.8 25.9 3.8 57 57 A I T 3< S+ 0 0 0 -4,-2.4 3,-0.5 1,-0.3 -1,-0.3 0.677 105.5 55.9 -66.8 -16.6 -0.9 23.8 6.9 58 58 A Q T < S+ 0 0 93 -3,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.501 108.1 50.2 -85.9 -6.2 1.3 21.6 4.7 59 59 A Q X> + 0 0 45 -3,-2.2 3,-1.3 -4,-0.4 4,-0.7 0.010 66.4 128.2-120.8 27.5 3.2 24.7 3.6 60 60 A L T 34 + 0 0 3 -3,-0.5 3,-0.2 1,-0.3 -1,-0.1 0.679 69.4 59.3 -67.6 -20.0 4.0 26.4 7.0 61 61 A D T 34 S+ 0 0 124 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.800 99.9 59.5 -72.7 -29.9 7.8 26.7 6.3 62 62 A R T <4 S+ 0 0 164 -3,-1.3 -2,-0.2 2,-0.1 -1,-0.2 0.766 89.1 90.3 -66.0 -30.2 7.0 28.9 3.3 63 63 A V S < S- 0 0 7 -4,-0.7 5,-0.1 -3,-0.2 -17,-0.0 -0.298 96.5 -82.1 -73.1 153.3 5.1 31.5 5.3 64 64 A P >> - 0 0 52 0, 0.0 3,-2.0 0, 0.0 4,-1.1 -0.277 40.4-121.2 -53.6 138.8 6.9 34.5 6.9 65 65 A A H 3> S+ 0 0 92 1,-0.3 4,-0.5 2,-0.2 3,-0.2 0.798 112.4 56.5 -54.5 -33.7 8.6 33.6 10.2 66 66 A D H 34 S+ 0 0 138 1,-0.2 -1,-0.3 2,-0.1 4,-0.3 0.674 112.3 41.3 -73.8 -18.2 6.6 36.2 12.1 67 67 A K H <> S+ 0 0 50 -3,-2.0 4,-2.5 2,-0.1 5,-0.3 0.538 91.2 89.9-100.4 -12.8 3.3 34.6 10.8 68 68 A K H X S+ 0 0 65 -4,-1.1 4,-3.0 -3,-0.2 5,-0.2 0.904 88.8 44.1 -56.2 -50.5 4.3 30.9 11.3 69 69 A G H X S+ 0 0 39 -4,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.912 114.3 49.6 -61.2 -46.9 3.1 30.5 14.9 70 70 A A H > S+ 0 0 38 -4,-0.3 4,-2.5 2,-0.2 5,-0.4 0.864 115.4 43.7 -60.8 -39.3 -0.2 32.3 14.3 71 71 A L H X>S+ 0 0 0 -4,-2.5 4,-1.5 2,-0.2 5,-1.3 0.906 110.4 54.4 -77.7 -42.8 -0.9 30.2 11.2 72 72 A R H X5S+ 0 0 77 -4,-3.0 4,-0.5 -5,-0.3 -2,-0.2 0.931 118.5 36.6 -47.2 -51.2 0.2 26.9 12.8 73 73 A N H X5S+ 0 0 37 -4,-2.4 4,-1.6 -5,-0.2 -2,-0.2 0.918 129.1 29.6 -72.6 -46.2 -2.2 27.6 15.7 74 74 A N H X5S+ 0 0 17 -4,-2.5 4,-2.3 2,-0.2 -35,-0.2 0.883 123.5 43.8 -91.4 -43.0 -5.2 29.2 13.8 75 75 A A H X5S+ 0 0 0 -4,-1.5 4,-2.8 -5,-0.4 5,-0.2 0.914 118.0 49.7 -63.0 -41.4 -5.0 27.6 10.4 76 76 A G H X< S+ 0 0 3 -4,-2.3 3,-0.8 1,-0.2 -1,-0.2 0.880 111.7 50.5 -61.0 -36.4 -17.6 18.3 12.3 86 86 A Q H 3< S+ 0 0 94 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.733 105.0 55.1 -79.2 -21.8 -17.6 16.2 9.1 87 87 A I T 3< S+ 0 0 0 -4,-1.6 110,-3.2 -3,-0.5 2,-0.3 0.372 100.5 70.8 -95.0 4.9 -16.5 13.0 10.7 88 88 A M B < +A 196 0A 2 -3,-0.8 2,-0.3 -4,-0.4 108,-0.2 -0.803 59.6 165.2-112.0 161.7 -19.3 13.0 13.2 89 89 A G - 0 0 5 106,-2.4 3,-0.5 -2,-0.3 2,-0.3 -0.988 33.9 -99.3-166.4 165.0 -23.0 12.3 12.6 90 90 A Q S S+ 0 0 131 -2,-0.3 -75,-0.1 1,-0.2 105,-0.1 -0.693 97.8 9.4 -93.2 147.0 -26.4 11.5 14.1 91 91 A G S S+ 0 0 72 -2,-0.3 -1,-0.2 -77,-0.3 2,-0.2 0.861 87.0 176.5 57.3 40.5 -28.0 8.1 14.2 92 92 A Q 0 0 45 102,-0.5 -1,-0.2 -3,-0.5 4,-0.1 -0.517 360.0 360.0 -80.9 141.8 -24.8 6.5 13.0 93 93 A G 0 0 93 -2,-0.2 3,-0.2 3,-0.1 101,-0.0 -0.212 360.0 360.0 72.9 360.0 -24.4 2.7 12.6 94 ! 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 95 97 A A 0 0 128 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 148.5 -23.0 -0.6 17.6 96 98 A N + 0 0 12 -3,-0.2 -3,-0.1 -4,-0.1 100,-0.1 -0.505 360.0 135.7 -71.6 122.8 -21.5 2.0 15.4 97 99 A Q - 0 0 95 -2,-0.3 101,-0.1 97,-0.1 6,-0.1 -0.975 50.6 -98.4-159.5 161.6 -18.5 0.7 13.4 98 100 A P - 0 0 2 0, 0.0 2,-0.2 0, 0.0 101,-0.1 -0.305 33.8-167.9 -79.1 172.1 -17.0 0.7 9.9 99 101 A S >> + 0 0 87 99,-0.1 4,-1.0 -2,-0.0 3,-0.7 -0.785 44.9 26.4-140.6-175.5 -17.3 -2.0 7.4 100 102 A G H 3> S- 0 0 46 -2,-0.2 4,-2.2 1,-0.2 3,-0.2 -0.170 119.3 -7.5 62.6-142.8 -15.8 -3.0 4.0 101 103 A E H 3> S+ 0 0 148 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.826 134.5 53.5 -61.1 -38.6 -12.2 -2.0 3.0 102 104 A L H <> S+ 0 0 1 -3,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.917 109.7 47.4 -64.5 -43.8 -11.7 0.3 6.0 103 105 A L H X S+ 0 0 31 -4,-1.0 4,-2.9 2,-0.2 -2,-0.2 0.912 110.1 53.1 -64.5 -40.9 -12.6 -2.4 8.5 104 106 A D H X S+ 0 0 95 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.916 110.2 48.5 -55.7 -44.5 -10.3 -4.9 6.7 105 107 A A H X S+ 0 0 14 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.879 110.8 49.9 -65.7 -41.0 -7.5 -2.3 7.0 106 108 A I H X>S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 5,-0.7 0.916 110.6 49.7 -62.9 -45.5 -8.3 -1.8 10.8 107 109 A N H X5S+ 0 0 68 -4,-2.9 4,-1.4 3,-0.2 -2,-0.2 0.909 114.4 46.4 -58.1 -42.4 -8.2 -5.6 11.3 108 110 A S H <5S+ 0 0 109 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.930 120.5 36.5 -64.9 -47.3 -4.9 -5.8 9.5 109 111 A A H <5S+ 0 0 46 -4,-2.8 -2,-0.2 1,-0.1 -3,-0.2 0.846 135.6 16.2 -77.5 -37.0 -3.3 -2.8 11.3 110 112 A F H <5S- 0 0 34 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.527 97.9-112.2-122.5 -12.5 -4.7 -3.3 14.8 111 113 A G S < S- 0 0 46 -6,-0.4 4,-2.3 1,-0.1 5,-0.1 -0.969 74.7 -98.2-170.9 164.9 -9.7 -5.8 15.4 113 115 A F H > S+ 0 0 10 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.925 123.5 53.0 -60.8 -42.6 -12.0 -2.8 15.6 114 116 A D H > S+ 0 0 107 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.906 109.6 47.7 -62.1 -41.4 -12.2 -3.3 19.4 115 117 A A H > S+ 0 0 40 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.883 110.8 52.4 -64.1 -39.7 -8.3 -3.3 19.6 116 118 A F H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.922 107.2 51.6 -60.1 -45.4 -8.2 -0.2 17.4 117 119 A K H X S+ 0 0 46 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.923 110.1 50.0 -60.3 -42.1 -10.7 1.6 19.7 118 120 A Q H X S+ 0 0 106 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.902 112.7 46.1 -59.9 -45.2 -8.4 0.7 22.7 119 121 A K H X S+ 0 0 101 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.870 114.6 47.3 -65.9 -40.2 -5.3 2.0 20.9 120 122 A F H X S+ 0 0 1 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.922 112.3 49.1 -70.0 -44.9 -7.1 5.2 19.8 121 123 A E H X S+ 0 0 26 -4,-3.0 4,-2.2 -5,-0.2 -2,-0.2 0.871 110.3 52.9 -60.7 -37.5 -8.5 5.8 23.3 122 124 A D H X S+ 0 0 71 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.908 108.8 48.3 -65.6 -43.0 -5.0 5.3 24.8 123 125 A A H X S+ 0 0 18 -4,-2.0 4,-0.5 1,-0.2 -1,-0.2 0.882 114.4 46.8 -63.1 -38.9 -3.5 7.9 22.5 124 126 A A H < S+ 0 0 0 -4,-2.1 3,-0.4 1,-0.2 -2,-0.2 0.858 113.2 49.0 -71.2 -34.8 -6.2 10.3 23.4 125 127 A K H < S+ 0 0 89 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.848 111.3 48.7 -73.3 -32.8 -5.9 9.6 27.1 126 128 A T H < S+ 0 0 109 -4,-2.0 2,-1.1 -5,-0.1 -1,-0.2 0.465 79.3 108.6 -92.5 -4.1 -2.1 10.0 27.2 127 129 A R < - 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0 0 18 -2,-0.4 4,-2.3 -3,-0.2 5,-0.1 -0.317 14.0-125.3 -70.8 147.2 -7.0 25.6 82.0 438 21 C A H > S+ 0 0 25 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.815 109.3 57.2 -58.8 -35.7 -7.7 29.3 81.8 439 22 C R H > S+ 0 0 134 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.938 108.8 44.9 -64.3 -47.7 -6.0 30.0 85.2 440 23 C T H > S+ 0 0 0 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.917 111.6 53.5 -60.4 -47.1 -2.7 28.4 84.0 441 24 C M H X S+ 0 0 1 -4,-2.3 4,-2.3 -12,-0.2 5,-0.2 0.932 111.3 46.1 -54.8 -47.4 -2.9 30.3 80.7 442 25 C E H X S+ 0 0 100 -4,-2.5 4,-3.2 2,-0.2 5,-0.3 0.938 117.6 41.0 -62.1 -50.4 -3.3 33.6 82.5 443 26 C I H X>S+ 0 0 20 -4,-2.5 4,-2.3 1,-0.2 5,-1.8 0.933 114.9 52.6 -63.6 -45.5 -0.5 33.0 85.0 444 27 C H H <>S+ 0 0 3 -4,-3.3 5,-2.6 -5,-0.2 -1,-0.2 0.902 119.8 34.7 -56.5 -43.2 1.7 31.5 82.4 445 28 C H H <>S+ 0 0 11 -4,-2.3 5,-1.2 -5,-0.3 -2,-0.2 0.971 125.5 36.2 -78.2 -56.0 1.2 34.5 80.1 446 29 C T H <5S+ 0 0 42 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.655 132.2 22.0 -79.4 -19.3 1.0 37.5 82.6 447 30 C K T X5S+ 0 0 101 -4,-2.3 4,-1.9 -5,-0.3 -3,-0.2 0.776 129.0 34.2-109.6 -60.4 3.5 36.3 85.2 448 31 C H H >< S+ 0 0 1 -4,-2.1 3,-1.7 -5,-0.1 6,-0.3 0.628 81.5 110.3 -79.3 -15.6 19.6 44.4 76.7 461 44 C E T 3< S+ 0 0 135 -4,-0.9 3,-0.1 -3,-0.5 -3,-0.0 -0.424 86.4 15.9 -61.5 131.6 19.9 47.9 78.0 462 45 C G T 3 S+ 0 0 90 1,-0.3 -1,-0.2 -2,-0.1 2,-0.1 0.193 105.6 109.3 89.2 -14.9 23.2 49.4 77.0 463 46 C T S X S- 0 0 22 -3,-1.7 3,-0.5 1,-0.1 -1,-0.3 -0.429 75.7-126.6 -88.6 165.0 23.8 46.7 74.3 464 47 C E T 3 S+ 0 0 153 1,-0.2 3,-0.2 -2,-0.1 -1,-0.1 0.223 100.6 73.1 -90.1 15.4 23.8 47.1 70.6 465 48 C F T > + 0 0 8 -5,-0.3 3,-1.4 1,-0.1 -1,-0.2 0.380 58.5 101.8-112.8 2.5 21.3 44.3 70.4 466 49 C A T < S+ 0 0 36 -3,-0.5 -1,-0.1 -6,-0.3 -2,-0.1 0.769 80.4 53.8 -62.3 -29.0 18.0 45.8 71.7 467 50 C D T 3 S+ 0 0 140 -3,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.461 85.3 105.7 -88.8 -4.1 16.5 46.3 68.2 468 51 C L S < S- 0 0 36 -3,-1.4 2,-0.1 1,-0.1 -3,-0.0 -0.500 81.2-104.9 -76.7 143.8 16.8 42.7 67.1 469 52 C P >> - 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0 0 37 -112,-3.2 4,-2.0 1,-0.2 3,-0.4 -0.820 19.0-176.7 -93.9 93.9 13.1 21.6 112.2 823 200 D W H > S+ 0 0 7 -2,-1.0 4,-2.5 1,-0.2 -99,-0.2 0.745 79.1 63.9 -67.1 -24.4 16.3 23.2 113.6 824 201 D D H > S+ 0 0 133 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.918 107.3 42.5 -59.1 -47.4 16.7 20.3 116.1 825 202 D E H > S+ 0 0 35 -3,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.901 112.7 52.2 -69.4 -41.9 17.2 18.0 113.1 826 203 D V H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.915 110.2 49.8 -59.1 -41.5 19.5 20.5 111.3 827 204 D S H X S+ 0 0 30 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.892 109.4 50.9 -64.3 -41.4 21.6 20.7 114.5 828 205 D K H X S+ 0 0 145 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.918 111.8 48.3 -59.3 -46.1 21.8 16.9 114.7 829 206 D R H X S+ 0 0 60 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.893 110.3 50.7 -62.9 -42.2 23.0 16.9 111.1 830 207 D Y H X S+ 0 0 30 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.939 110.2 50.2 -58.7 -49.3 25.6 19.6 111.7 831 208 D A H < S+ 0 0 31 -4,-2.5 4,-0.3 1,-0.2 -2,-0.2 0.898 113.9 45.2 -56.6 -43.2 27.0 17.7 114.7 832 209 D A H >< S+ 0 0 56 -4,-2.1 3,-1.5 1,-0.2 4,-0.3 0.904 108.4 57.1 -66.7 -42.8 27.2 14.5 112.6 833 210 D A H >< S+ 0 0 11 -4,-2.6 3,-1.2 1,-0.3 -2,-0.2 0.856 100.2 57.5 -59.5 -38.4 28.8 16.4 109.6 834 211 D K T 3< S+ 0 0 100 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.627 104.5 54.9 -67.5 -12.7 31.7 17.7 111.7 835 212 D L T < S+ 0 0 148 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.2 0.452 77.9 109.9-102.4 -2.5 32.6 14.1 112.6 836 213 D V S < S- 0 0 96 -3,-1.2 2,-0.0 -4,-0.3 -3,-0.0 -0.638 70.1-121.8 -81.3 124.6 32.9 12.7 109.0 837 214 D P 0 0 112 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.333 360.0 360.0 -69.6 147.7 36.6 11.9 108.1 838 215 D R 0 0 295 -2,-0.0 -2,-0.0 0, 0.0 0, 0.0 0.256 360.0 360.0 120.6 360.0 38.3 13.5 105.0