==== 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 OXIDOREDUCTASE 31-AUG-05 2AW9 . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE [MN]; . SOURCE 2 ORGANISM_SCIENTIFIC: DEINOCOCCUS RADIODURANS; . AUTHOR S.TANAKA,M.R.SAWAYA,S.CHAN,L.J.PERRY . 418 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17999.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 278 66.5 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 . 38 9.1 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 . 2 0.5 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 . 9 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 165 39.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.6 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 5 1 0 0 1 2 0 5 0 3 1 0 0 0 0 1 0 0 1 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 . 2 0 0 0 0 2 0 2 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 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 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 0 107 0, 0.0 39,-0.1 0, 0.0 40,-0.1 0.000 360.0 360.0 360.0 173.5 9.7 38.5 7.9 2 2 A A + 0 0 37 38,-0.1 2,-0.2 37,-0.1 51,-0.0 0.940 360.0 45.3 -37.2 -67.4 8.2 35.1 8.7 3 3 A Y + 0 0 20 33,-0.2 2,-0.3 34,-0.0 37,-0.1 -0.420 51.6 179.1-106.1 149.4 11.4 33.2 8.7 4 4 A T - 0 0 108 -2,-0.2 -2,-0.0 36,-0.0 29,-0.0 -0.929 42.0 -96.2-128.4 165.0 15.0 33.2 9.9 5 5 A L - 0 0 38 -2,-0.3 2,-0.1 1,-0.0 28,-0.0 -0.650 43.1-128.7 -75.4 121.3 17.9 30.8 9.5 6 6 A P - 0 0 41 0, 0.0 2,-0.1 0, 0.0 -1,-0.0 -0.475 19.6-115.1 -69.0 147.9 18.1 28.6 12.6 7 7 A Q - 0 0 181 -2,-0.1 0, 0.0 1,-0.1 0, 0.0 -0.479 39.2-106.0 -67.5 150.0 21.4 28.4 14.3 8 8 A L - 0 0 21 -2,-0.1 -1,-0.1 2,-0.1 4,-0.1 -0.487 15.6-126.2 -79.4 156.3 22.8 24.8 14.2 9 9 A P S S+ 0 0 82 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.337 91.6 20.6 -72.7 6.8 22.8 22.6 17.3 10 10 A Y S S- 0 0 35 79,-0.1 -2,-0.1 5,-0.0 5,-0.0 -0.969 96.8 -71.9-168.1 165.3 26.5 22.0 16.9 11 11 A A > - 0 0 58 -2,-0.3 3,-2.3 1,-0.1 4,-0.3 -0.298 47.5-107.3 -68.2 152.9 29.6 23.3 15.3 12 12 A Y T 3 S+ 0 0 68 1,-0.3 3,-0.3 2,-0.1 12,-0.3 0.751 122.4 44.0 -50.3 -27.8 30.2 23.2 11.5 13 13 A D T > S+ 0 0 100 1,-0.2 3,-1.3 2,-0.1 -1,-0.3 0.343 81.8 101.3-104.0 10.1 32.8 20.5 12.1 14 14 A A T < S+ 0 0 13 -3,-2.3 77,-0.3 1,-0.3 -1,-0.2 0.699 81.6 52.0 -65.6 -22.5 30.9 18.4 14.7 15 15 A L T 3> S+ 0 0 1 -3,-0.3 4,-1.9 -4,-0.3 3,-0.5 0.328 88.9 164.3-102.7 7.4 29.9 15.8 12.1 16 16 A E T <4 + 0 0 90 -3,-1.3 4,-0.1 1,-0.3 -3,-0.0 -0.365 56.9 15.3 -65.0 147.5 33.4 15.0 10.7 17 17 A P T 4 S+ 0 0 92 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 -0.987 125.2 55.7 -84.3 -6.7 34.4 12.8 9.1 18 18 A H T 4 S+ 0 0 49 -3,-0.5 2,-0.4 1,-0.2 -2,-0.2 0.900 127.6 11.3 -56.3 -47.5 30.9 11.7 8.1 19 19 A I S < S- 0 0 7 -4,-1.9 -1,-0.2 172,-0.1 -4,-0.2 -1.000 90.7-121.8-127.8 134.0 30.0 15.2 6.7 20 20 A D > - 0 0 21 -2,-0.4 4,-2.3 -3,-0.1 3,-0.2 -0.365 13.3-123.7 -77.5 148.3 32.7 17.8 6.2 21 21 A A H > S+ 0 0 23 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.879 108.6 55.1 -52.5 -46.5 32.7 21.2 7.9 22 22 A R H > S+ 0 0 131 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.915 109.1 48.0 -59.8 -44.0 32.9 23.2 4.7 23 23 A T H > S+ 0 0 0 -3,-0.2 4,-3.0 2,-0.2 5,-0.3 0.949 110.3 51.1 -64.5 -51.8 29.8 21.5 3.3 24 24 A M H X S+ 0 0 2 -4,-2.3 4,-3.1 -12,-0.3 5,-0.3 0.939 111.5 50.7 -48.5 -46.5 27.9 22.1 6.5 25 25 A E H X S+ 0 0 94 -4,-2.7 4,-2.9 2,-0.2 5,-0.3 0.922 116.0 37.1 -61.1 -49.2 28.9 25.8 6.3 26 26 A I H X>S+ 0 0 18 -4,-2.3 4,-2.5 2,-0.2 5,-1.8 0.928 116.0 55.5 -69.8 -41.7 27.8 26.4 2.7 27 27 A H H <>S+ 0 0 3 -4,-3.0 5,-2.3 -5,-0.2 -2,-0.2 0.901 119.9 31.4 -55.5 -45.8 24.8 24.1 3.1 28 28 A H H <>S+ 0 0 11 -4,-3.1 5,-1.2 -5,-0.3 -2,-0.2 0.961 125.0 39.3 -79.9 -55.6 23.6 26.2 6.1 29 29 A T H <5S+ 0 0 39 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.682 133.3 18.2 -78.4 -20.3 24.8 29.7 5.4 30 30 A K T X5S+ 0 0 97 -4,-2.5 4,-1.9 -5,-0.3 -3,-0.2 0.742 126.1 39.6-106.3 -61.1 24.0 29.7 1.6 31 31 A H H >< S+ 0 0 130 -4,-2.2 3,-0.7 1,-0.2 4,-0.3 0.887 111.8 48.4 -58.2 -38.9 9.9 37.5 -0.5 42 42 A A H >< S+ 0 0 7 -4,-1.7 3,-1.0 1,-0.2 -2,-0.2 0.963 108.2 52.7 -64.7 -50.8 7.0 35.1 -1.5 43 43 A L H >< S+ 0 0 3 -4,-2.8 3,-1.3 1,-0.2 6,-0.3 0.533 85.4 97.1 -60.0 -10.9 5.1 35.6 1.8 44 44 A E T << S+ 0 0 150 -4,-0.7 -1,-0.2 -3,-0.7 -2,-0.1 0.842 83.9 40.2 -49.3 -49.8 5.3 39.4 1.3 45 45 A G T < S+ 0 0 67 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.1 0.619 107.3 93.9 -75.0 -4.0 1.9 39.9 -0.3 46 46 A T S X S- 0 0 30 -3,-1.3 3,-0.8 -4,-0.1 17,-0.0 -0.354 75.6-130.2-129.0 163.9 -0.0 37.6 1.9 47 47 A E T 3 S+ 0 0 180 1,-0.2 3,-0.2 -2,-0.1 -3,-0.1 0.371 101.4 69.3 -79.0 3.2 -2.2 36.4 4.7 48 48 A F T > + 0 0 31 -5,-0.2 3,-1.3 1,-0.1 -1,-0.2 0.365 61.0 102.3-111.6 6.0 0.3 33.6 5.4 49 49 A A T < S+ 0 0 28 -3,-0.8 -1,-0.1 -6,-0.3 -2,-0.1 0.701 79.8 52.3 -70.0 -20.9 3.4 35.3 6.7 50 50 A D T 3 S+ 0 0 161 -3,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.298 84.5 112.3 -99.2 6.2 2.9 34.5 10.5 51 51 A L S < S- 0 0 45 -3,-1.3 -3,-0.0 1,-0.1 2,-0.0 -0.640 77.2-107.6 -78.5 137.9 2.5 30.7 10.0 52 52 A P >> - 0 0 63 0, 0.0 4,-2.6 0, 0.0 3,-1.2 -0.334 36.2-116.9 -40.4 136.3 4.9 28.2 11.2 53 53 A V H 3> S+ 0 0 9 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.861 113.3 55.1 -59.6 -34.6 6.7 26.8 8.1 54 54 A E H 34 S+ 0 0 87 1,-0.2 -1,-0.3 2,-0.2 4,-0.0 0.681 111.0 45.6 -78.1 -16.5 5.4 23.3 8.7 55 55 A Q H X4 S+ 0 0 81 -3,-1.2 3,-1.6 2,-0.1 -1,-0.2 0.836 108.4 57.5 -80.5 -44.9 1.8 24.6 8.8 56 56 A L H >< S+ 0 0 0 -4,-2.6 3,-2.0 1,-0.3 -2,-0.2 0.898 102.0 53.7 -53.1 -44.5 2.4 26.7 5.7 57 57 A I T 3< S+ 0 0 1 -4,-2.0 3,-0.4 1,-0.3 -1,-0.3 0.594 102.2 59.3 -72.7 -8.1 3.5 23.8 3.5 58 58 A Q T < S+ 0 0 89 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.343 105.8 50.9 -95.4 8.5 0.3 22.0 4.4 59 59 A Q X> + 0 0 39 -3,-2.0 3,-1.2 -4,-0.1 4,-0.9 0.040 62.4 120.3-132.2 29.8 -1.7 24.8 2.9 60 60 A L T 34 S+ 0 0 3 -3,-0.4 3,-0.2 1,-0.3 7,-0.1 0.778 76.1 61.5 -68.9 -20.0 -0.2 25.4 -0.4 61 61 A D T 34 S+ 0 0 107 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.774 105.0 48.2 -72.1 -26.3 -3.7 24.6 -1.8 62 62 A R T <4 S+ 0 0 181 -3,-1.2 -2,-0.2 2,-0.1 -1,-0.2 0.664 94.9 91.6 -85.9 -18.3 -4.9 27.7 0.1 63 63 A V S < S- 0 0 11 -4,-0.9 5,-0.1 -3,-0.2 4,-0.0 -0.236 94.5 -72.4 -81.3 163.0 -2.2 30.2 -1.0 64 64 A P >> - 0 0 50 0, 0.0 3,-1.7 0, 0.0 4,-0.9 -0.299 46.1-127.5 -49.1 135.6 -2.3 32.6 -4.0 65 65 A A G >4 S+ 0 0 89 1,-0.3 3,-0.7 2,-0.2 4,-0.5 0.869 105.9 53.8 -57.6 -45.0 -1.8 30.5 -7.2 66 66 A D G 34 S+ 0 0 140 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.429 112.2 45.7 -71.8 -2.6 1.1 32.5 -8.6 67 67 A K G <> S+ 0 0 43 -3,-1.7 4,-2.1 -7,-0.1 5,-0.2 0.526 87.4 92.7-106.8 -16.2 3.0 32.1 -5.3 68 68 A K H S+ 0 0 38 -4,-0.5 4,-2.8 1,-0.2 5,-0.3 0.953 112.5 51.6 -65.4 -51.7 5.5 27.2 -6.7 70 70 A A H > S+ 0 0 41 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.826 115.2 43.7 -52.2 -37.3 7.8 29.7 -5.0 71 71 A L H X>S+ 0 0 1 -4,-2.1 4,-2.1 2,-0.2 5,-1.2 0.912 109.8 53.2 -81.2 -44.3 6.5 28.7 -1.6 72 72 A R H X5S+ 0 0 76 -4,-2.7 4,-0.6 -5,-0.2 -2,-0.2 0.941 118.1 39.7 -49.4 -50.0 6.5 24.9 -2.2 73 73 A N H X5S+ 0 0 38 -4,-2.8 4,-1.7 -5,-0.2 -2,-0.2 0.948 127.5 29.5 -64.9 -50.4 10.2 25.2 -3.2 74 74 A N H X5S+ 0 0 16 -4,-2.1 4,-2.3 -5,-0.3 -35,-0.2 0.882 123.6 43.5 -91.2 -40.8 11.4 27.8 -0.6 75 75 A A H X5S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.3 5,-0.2 0.878 117.8 50.6 -66.8 -37.2 9.1 27.1 2.4 76 76 A G H X< S+ 0 0 3 -4,-2.1 3,-1.0 1,-0.2 -1,-0.3 0.884 111.5 52.1 -66.2 -36.3 20.0 19.9 11.2 86 86 A Q H 3< S+ 0 0 91 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.758 103.6 55.0 -75.2 -27.6 18.0 18.9 14.2 87 87 A I T 3< S+ 0 0 0 -4,-1.7 110,-2.9 -3,-0.2 2,-0.3 0.364 100.3 73.5 -88.4 8.6 18.0 15.1 13.5 88 88 A M B < +A 196 0A 4 -3,-1.0 2,-0.3 -4,-0.3 108,-0.2 -0.838 58.9 165.4-113.2 157.0 21.8 15.0 13.3 89 89 A G - 0 0 5 106,-2.3 3,-0.4 -2,-0.3 2,-0.2 -0.986 34.8-101.9-163.4 160.7 24.3 15.2 16.2 90 90 A Q S S+ 0 0 134 -2,-0.3 -75,-0.1 1,-0.2 -76,-0.1 -0.516 96.1 10.2 -80.0 149.3 27.8 14.6 17.3 91 91 A G S S+ 0 0 79 -77,-0.3 2,-0.3 -2,-0.2 -1,-0.2 0.853 79.4 176.8 55.3 46.9 28.9 11.5 19.3 92 92 A Q 0 0 44 102,-0.5 4,-0.3 -3,-0.4 -1,-0.2 -0.678 360.0 360.0 -84.1 133.8 25.7 9.5 18.9 93 93 A G 0 0 96 -2,-0.3 -1,-0.1 2,-0.1 101,-0.1 -0.118 360.0 360.0 55.3 360.0 25.5 5.9 20.5 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 0 133 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 135.5 27.0 1.7 17.2 96 98 A N + 0 0 22 -4,-0.3 -3,-0.1 97,-0.0 100,-0.1 -0.332 360.0 128.5 -77.9 126.3 24.2 4.2 16.8 97 99 A Q - 0 0 101 -2,-0.2 101,-0.1 97,-0.1 6,-0.1 -0.997 50.2 -90.2-164.0 167.4 20.6 3.2 16.7 98 100 A P - 0 0 2 0, 0.0 2,-0.3 0, 0.0 15,-0.1 -0.231 33.7-179.8 -80.2 177.5 17.2 3.8 18.1 99 101 A S >> + 0 0 77 99,-0.2 4,-1.1 100,-0.0 3,-0.6 -0.844 41.1 39.1-152.3-174.9 15.5 2.1 21.1 100 102 A G H 3> S- 0 0 45 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 -0.204 116.5 -12.4 69.6-153.9 12.1 2.3 22.9 101 103 A E H 3> S+ 0 0 113 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.880 139.0 53.1 -50.9 -40.1 8.7 2.8 21.4 102 104 A L H <> S+ 0 0 0 -3,-0.6 4,-2.7 2,-0.2 -1,-0.2 0.927 104.0 49.7 -70.5 -50.1 10.5 3.7 18.2 103 105 A L H X S+ 0 0 38 -4,-1.1 4,-2.7 2,-0.2 -1,-0.2 0.938 113.6 50.6 -52.3 -43.3 12.8 0.7 17.8 104 106 A D H X S+ 0 0 108 -4,-2.3 4,-3.2 2,-0.2 -2,-0.2 0.967 108.7 49.9 -56.6 -52.2 9.6 -1.4 18.3 105 107 A A H X S+ 0 0 10 -4,-2.6 4,-2.5 1,-0.2 37,-0.3 0.875 112.5 48.7 -51.2 -45.2 7.7 0.6 15.7 106 108 A I H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.5 0.887 110.3 50.5 -63.7 -46.3 10.5 0.0 13.3 107 109 A N H X S+ 0 0 62 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.962 113.0 45.9 -58.0 -48.6 10.7 -3.7 14.1 108 110 A S H < S+ 0 0 106 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.945 121.0 36.5 -64.7 -45.1 6.9 -4.1 13.5 109 111 A A H < S+ 0 0 45 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.805 135.0 19.7 -74.5 -33.1 6.8 -2.1 10.2 110 112 A F H < S- 0 0 28 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.500 97.5-116.0-119.0 -11.7 10.2 -3.1 8.7 111 113 A G S < S- 0 0 59 -4,-2.5 2,-0.3 -5,-0.5 -4,-0.2 -0.185 83.8 -8.4 101.1 -44.1 11.2 -6.4 10.4 112 114 A S S > S- 0 0 45 -6,-0.3 4,-1.8 1,-0.1 5,-0.1 -0.938 75.0 -95.5-169.5 170.9 14.4 -5.0 12.1 113 115 A F H > S+ 0 0 15 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.912 122.3 54.8 -64.7 -42.9 16.6 -1.9 12.2 114 116 A D H > S+ 0 0 107 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.884 110.2 46.9 -56.9 -36.8 19.0 -3.4 9.6 115 117 A A H > S+ 0 0 31 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.889 110.1 52.0 -73.6 -41.9 16.1 -4.0 7.2 116 118 A F H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 5,-0.2 0.938 105.4 56.2 -61.3 -47.3 14.8 -0.5 7.8 117 119 A K H X S+ 0 0 55 -4,-3.0 4,-3.1 1,-0.2 -2,-0.2 0.887 109.0 47.0 -54.4 -46.5 18.2 0.9 6.9 118 120 A Q H X S+ 0 0 132 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.892 111.3 49.7 -55.6 -46.5 18.2 -0.9 3.6 119 121 A K H X S+ 0 0 97 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.967 116.2 44.3 -63.2 -44.1 14.6 0.3 2.7 120 122 A F H X S+ 0 0 2 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.924 111.5 51.8 -64.4 -48.1 15.7 3.8 3.6 121 123 A E H X S+ 0 0 40 -4,-3.1 4,-2.8 -5,-0.2 -1,-0.2 0.912 111.7 48.4 -58.7 -35.8 19.0 3.6 1.8 122 124 A D H X S+ 0 0 77 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.862 107.2 52.2 -72.8 -37.1 17.2 2.4 -1.4 123 125 A A H X S+ 0 0 17 -4,-1.9 4,-0.6 1,-0.2 -2,-0.2 0.971 116.0 44.2 -60.9 -47.9 14.5 5.1 -1.3 124 126 A A H < S+ 0 0 0 -4,-2.4 3,-0.4 2,-0.2 -2,-0.2 0.860 116.1 45.3 -58.8 -46.5 17.4 7.6 -1.1 125 127 A K H < S+ 0 0 88 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.948 112.9 48.7 -66.9 -46.8 19.6 5.8 -3.8 126 128 A T H < S+ 0 0 110 -4,-2.7 2,-0.6 -5,-0.2 -1,-0.2 0.494 83.1 110.1 -80.5 -2.7 16.8 5.3 -6.3 127 129 A R < - 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0 0 34 -110,-2.9 4,-1.3 1,-0.1 5,-0.1 -0.924 18.2-175.3 -94.9 107.5 20.3 11.7 16.6 198 200 A W H > S+ 0 0 8 -2,-0.8 4,-2.6 2,-0.2 5,-0.2 0.726 77.8 66.7 -78.4 -19.5 17.8 9.0 17.5 199 201 A D H > S+ 0 0 123 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.960 105.3 43.5 -61.1 -45.1 16.8 10.8 20.6 200 202 A E H > S+ 0 0 38 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.863 113.1 51.1 -69.3 -36.5 15.3 13.6 18.4 201 203 A V H X S+ 0 0 0 -4,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.903 110.6 48.4 -67.1 -40.3 13.7 11.1 16.0 202 204 A S H X S+ 0 0 36 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.978 107.0 58.1 -56.9 -53.2 12.1 9.3 19.0 203 205 A K H X S+ 0 0 131 -4,-2.5 4,-1.5 1,-0.3 -2,-0.2 0.842 110.1 43.1 -42.1 -47.1 10.9 12.7 20.2 204 206 A R H X S+ 0 0 49 -4,-1.8 4,-2.6 2,-0.2 5,-0.3 0.871 105.8 60.4 -72.2 -37.3 9.1 13.2 16.9 205 207 A Y H X S+ 0 0 16 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.952 107.6 48.5 -52.7 -47.5 7.7 9.7 16.8 206 208 A A H < S+ 0 0 42 -4,-2.5 3,-0.3 2,-0.2 -1,-0.2 0.921 114.3 43.8 -58.3 -48.9 6.0 10.5 20.0 207 209 A A H >< S+ 0 0 56 -4,-1.5 3,-2.8 1,-0.2 -2,-0.2 0.982 111.2 52.2 -61.8 -60.0 4.6 13.9 18.8 208 210 A A H 3< S+ 0 0 25 -4,-2.6 -1,-0.2 1,-0.3 -68,-0.2 0.674 95.4 72.6 -49.9 -26.9 3.4 12.6 15.4 209 211 A K T 3< S+ 0 0 85 -4,-1.4 2,-0.9 -5,-0.3 -1,-0.3 0.525 75.1 102.7 -66.7 -2.0 1.6 9.8 17.2 210 212 A L < 0 0 141 -3,-2.8 -1,-0.0 1,-0.1 -3,-0.0 -0.746 360.0 360.0 -96.0 106.5 -0.9 12.5 18.3 211 213 A V 0 0 192 -2,-0.9 -1,-0.1 -72,-0.0 -2,-0.0 0.353 360.0 360.0 -98.2 360.0 -4.2 12.4 16.3 212 !* 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 0.0 213 1 B A 0 0 113 0, 0.0 39,-0.1 0, 0.0 40,-0.1 0.000 360.0 360.0 360.0 180.0 24.7 -3.3 -26.2 214 2 B A + 0 0 33 38,-0.2 2,-0.3 37,-0.1 51,-0.1 0.956 360.0 42.1 -44.7 -62.7 23.2 -0.2 -27.8 215 3 B Y + 0 0 19 33,-0.2 2,-0.3 34,-0.1 37,-0.1 -0.641 52.2 178.7-113.3 148.5 25.3 2.4 -26.2 216 4 B T - 0 0 108 -2,-0.3 29,-0.0 36,-0.0 -2,-0.0 -0.932 42.9 -93.4-130.8 158.5 29.0 3.1 -25.2 217 5 B L - 0 0 38 -2,-0.3 2,-0.1 1,-0.1 28,-0.0 -0.568 42.2-126.7 -72.4 118.8 30.6 6.1 -23.5 218 6 B P - 0 0 43 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.421 19.9-118.6 -67.4 144.7 31.9 8.5 -26.1 219 7 B Q - 0 0 176 1,-0.1 0, 0.0 -2,-0.1 0, 0.0 -0.390 40.5-104.0 -66.0 154.3 35.6 9.5 -25.7 220 8 B L - 0 0 21 2,-0.2 -1,-0.1 1,-0.1 78,-0.1 -0.582 15.9-125.2 -87.3 155.6 35.8 13.2 -25.2 221 9 B P S S+ 0 0 82 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.331 92.9 16.9 -70.2 6.0 37.0 15.6 -28.0 222 10 B Y S S- 0 0 38 79,-0.1 -2,-0.2 5,-0.0 2,-0.1 -0.931 97.9 -69.6-165.0 172.6 39.7 17.0 -25.7 223 11 B A > - 0 0 58 -2,-0.3 3,-2.6 1,-0.1 4,-0.3 -0.463 46.9-107.0 -77.0 152.6 41.6 16.2 -22.5 224 12 B Y T 3 S+ 0 0 69 1,-0.3 12,-0.3 -2,-0.1 3,-0.3 0.698 122.9 44.2 -51.3 -24.6 40.1 16.3 -19.0 225 13 B D T > S+ 0 0 103 1,-0.2 3,-1.5 2,-0.1 -1,-0.3 0.408 81.9 101.1-104.4 7.8 42.0 19.5 -18.4 226 14 B A T < S+ 0 0 12 -3,-2.6 77,-0.3 1,-0.2 -1,-0.2 0.726 81.2 52.5 -58.8 -25.2 41.3 21.2 -21.7 227 15 B L T >> S+ 0 0 1 -4,-0.3 4,-2.0 -3,-0.3 3,-0.5 0.310 87.9 167.9-103.9 8.4 38.6 23.4 -20.2 228 16 B E T <4 + 0 0 91 -3,-1.5 4,-0.1 1,-0.3 -3,-0.0 -0.338 56.6 11.6 -63.0 144.2 40.5 24.9 -17.2 229 17 B P T 34 S+ 0 0 93 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 -0.992 126.4 56.2 -85.3 -4.3 40.0 27.1 -15.3 230 18 B H T <4 S+ 0 0 50 -3,-0.5 2,-0.4 1,-0.2 -2,-0.2 0.921 126.3 12.7 -58.2 -52.2 36.4 27.4 -16.5 231 19 B I S < S- 0 0 7 -4,-2.0 -1,-0.2 172,-0.1 -4,-0.2 -0.996 89.5-122.4-123.9 133.9 35.7 23.7 -15.7 232 20 B D > - 0 0 24 -2,-0.4 4,-2.2 -3,-0.1 5,-0.2 -0.441 12.4-126.5 -77.0 146.3 38.1 21.7 -13.6 233 21 B A H > S+ 0 0 22 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.837 107.7 56.5 -55.4 -42.6 39.7 18.4 -14.8 234 22 B R H > S+ 0 0 130 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.936 108.9 46.4 -61.0 -46.1 38.6 16.4 -11.8 235 23 B T H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.924 110.6 52.7 -62.0 -46.9 35.0 17.3 -12.4 236 24 B M H X S+ 0 0 2 -4,-2.2 4,-1.8 -12,-0.3 5,-0.3 0.853 110.9 49.0 -55.5 -38.8 35.3 16.5 -16.1 237 25 B E H X S+ 0 0 97 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.918 115.8 39.9 -69.1 -44.7 36.8 13.1 -15.2 238 26 B I H X>S+ 0 0 20 -4,-2.4 4,-2.4 2,-0.2 5,-1.8 0.929 115.0 53.2 -70.0 -44.2 34.1 12.1 -12.7 239 27 B H H <>S+ 0 0 3 -4,-3.0 5,-2.7 -5,-0.3 6,-0.2 0.907 119.9 33.5 -54.2 -45.6 31.4 13.5 -14.8 240 28 B H H <>S+ 0 0 9 -4,-1.8 5,-1.5 -5,-0.3 -2,-0.2 0.986 124.4 38.8 -76.7 -60.7 32.4 11.6 -17.9 241 29 B T H <5S+ 0 0 43 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.714 133.2 19.2 -76.6 -24.8 33.8 8.3 -16.4 242 30 B K T X5S+ 0 0 98 -4,-2.4 4,-2.1 -5,-0.3 -3,-0.2 0.793 126.9 37.2-103.9 -60.4 31.1 7.9 -13.6 243 31 B H H >< S+ 0 0 127 -4,-2.3 3,-0.8 1,-0.2 4,-0.3 0.870 111.5 48.4 -56.4 -40.9 20.1 -2.7 -19.1 254 42 B A H >< S+ 0 0 8 -4,-1.5 3,-0.9 1,-0.2 -2,-0.2 0.980 108.1 53.5 -65.9 -50.7 16.7 -1.1 -19.9 255 43 B L H >< S+ 0 0 4 -4,-3.1 3,-1.1 1,-0.2 6,-0.3 0.497 85.4 96.5 -60.0 -6.7 17.1 -1.8 -23.6 256 44 B E T << S+ 0 0 149 -3,-0.8 -1,-0.2 -4,-0.5 -2,-0.1 0.893 84.2 39.2 -48.9 -55.2 17.8 -5.5 -22.9 257 45 B G T < S+ 0 0 68 -3,-0.9 -1,-0.2 -4,-0.3 -2,-0.1 0.573 107.6 98.8 -73.4 -5.1 14.3 -6.9 -23.4 258 46 B T S X S- 0 0 29 -3,-1.1 3,-0.8 -4,-0.2 17,-0.0 -0.363 73.9-135.0-126.9 165.0 13.4 -4.8 -26.4 259 47 B E T 3 S+ 0 0 182 1,-0.2 3,-0.3 -2,-0.1 -3,-0.1 0.448 101.0 68.6 -77.7 -4.3 12.9 -3.9 -30.0 260 48 B F T > + 0 0 28 1,-0.2 3,-1.5 -5,-0.2 -1,-0.2 0.432 62.0 103.6-106.4 3.3 14.6 -0.6 -29.5 261 49 B A T < S+ 0 0 24 -3,-0.8 -1,-0.2 -6,-0.3 -2,-0.1 0.665 79.5 51.5 -65.6 -22.3 18.2 -1.6 -28.8 262 50 B D T 3 S+ 0 0 159 -3,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.386 85.1 113.3 -97.0 3.0 19.7 -0.6 -32.2 263 51 B L S < S- 0 0 44 -3,-1.5 2,-0.1 1,-0.1 -3,-0.0 -0.571 76.7-107.7 -75.6 138.6 18.2 2.9 -32.3 264 52 B P >> - 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