==== 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(SUPEROXIDE ACCEPTOR) 20-OCT-93 3MDS . COMPND 2 MOLECULE: MANGANESE SUPEROXIDE DISMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR M.L.LUDWIG,A.L.METZGER,K.A.PATTRIDGE,W.C.STALLINGS . 406 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17762.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 282 69.5 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 . 32 7.9 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 . 2 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 . 7 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 162 39.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 3.7 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 2 0 2 0 2 3 2 1 0 2 2 0 0 0 0 0 2 0 0 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 . 0 0 0 0 0 2 2 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 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 P 0 0 66 0, 0.0 51,-0.1 0, 0.0 53,-0.1 0.000 360.0 360.0 360.0-173.2 12.1 26.1 -14.7 2 2 A Y + 0 0 59 49,-0.4 2,-0.1 51,-0.4 3,-0.0 -0.236 360.0 42.1 -58.5 137.8 13.3 27.3 -18.0 3 3 A P S S- 0 0 90 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.489 89.8-155.2 -78.5 134.9 11.9 29.5 -19.7 4 4 A F - 0 0 10 33,-0.2 2,-0.3 -2,-0.1 37,-0.1 -0.446 6.5-148.4 -77.6 152.0 11.3 31.5 -16.6 5 5 A K - 0 0 148 -2,-0.1 -1,-0.0 -4,-0.1 29,-0.0 -0.922 20.5-109.2-123.7 147.2 8.5 34.0 -16.6 6 6 A L - 0 0 31 -2,-0.3 3,-0.1 1,-0.1 28,-0.1 -0.616 45.7-128.4 -69.3 121.4 7.9 37.4 -14.9 7 7 A P - 0 0 42 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.377 26.9 -94.7 -70.4 153.8 5.2 36.6 -12.3 8 8 A D - 0 0 149 1,-0.2 79,-0.0 2,-0.1 0, 0.0 -0.467 25.2-135.9 -60.4 142.6 2.0 38.6 -12.1 9 9 A L - 0 0 15 -2,-0.1 -1,-0.2 2,-0.1 16,-0.0 0.947 32.6-144.9 -61.9 -50.2 2.4 41.4 -9.6 10 10 A G + 0 0 66 1,-0.2 -1,-0.1 81,-0.1 -2,-0.1 0.313 63.1 43.6 108.0 -10.7 -1.1 40.5 -8.5 11 11 A Y S S- 0 0 26 80,-0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.942 98.3 -67.3-156.8 164.7 -2.7 43.8 -7.5 12 12 A P > - 0 0 86 0, 0.0 3,-2.4 0, 0.0 4,-0.3 -0.309 42.9-119.5 -61.5 145.2 -2.8 47.4 -8.9 13 13 A Y G > S+ 0 0 69 1,-0.3 3,-0.5 2,-0.1 12,-0.2 0.814 115.2 51.8 -54.0 -29.5 0.5 49.3 -8.9 14 14 A E G > S+ 0 0 141 1,-0.2 3,-1.6 2,-0.1 -1,-0.3 0.384 77.9 101.7 -89.9 7.7 -1.2 51.9 -6.6 15 15 A A G < S+ 0 0 42 -3,-2.4 -1,-0.2 1,-0.3 -2,-0.1 0.742 81.2 49.1 -64.7 -24.2 -2.4 49.4 -4.1 16 16 A L G X> S+ 0 0 6 -3,-0.5 4,-1.3 -4,-0.3 3,-0.9 0.362 88.8 163.1-100.9 9.2 0.3 50.2 -1.6 17 17 A E T <4 + 0 0 88 -3,-1.6 4,-0.1 1,-0.3 -3,-0.0 -0.379 56.6 20.0 -64.5 146.3 -0.0 54.0 -1.6 18 18 A P T 34 S+ 0 0 83 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 -0.977 125.3 53.5 -92.0 4.6 1.0 56.1 0.4 19 19 A H T <4 S+ 0 0 53 -3,-0.9 2,-0.4 1,-0.2 -2,-0.2 0.877 124.5 15.0 -64.8 -48.3 3.6 53.7 1.7 20 20 A I S < S- 0 0 6 -4,-1.3 -1,-0.2 166,-0.1 -4,-0.2 -0.996 90.6-119.7-130.5 131.9 5.2 52.8 -1.7 21 21 A D > - 0 0 23 -2,-0.4 4,-1.8 -3,-0.1 5,-0.1 -0.327 14.5-123.6 -73.6 155.6 4.5 54.9 -4.7 22 22 A A H > S+ 0 0 25 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.826 108.3 58.5 -66.9 -38.4 2.8 53.5 -7.8 23 23 A K H > S+ 0 0 109 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.925 107.4 47.6 -62.1 -40.9 5.6 54.6 -10.2 24 24 A T H > S+ 0 0 1 2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.933 109.0 53.9 -64.7 -44.4 8.2 52.5 -8.2 25 25 A M H X S+ 0 0 1 -4,-1.8 4,-2.1 -12,-0.2 5,-0.3 0.918 112.1 45.4 -58.0 -42.3 5.9 49.5 -8.1 26 26 A E H X S+ 0 0 95 -4,-2.2 4,-2.6 2,-0.2 5,-0.5 0.940 118.4 39.2 -66.7 -52.1 5.6 49.6 -11.9 27 27 A I H X>S+ 0 0 18 -4,-2.4 5,-1.9 3,-0.2 4,-1.7 0.907 115.1 53.7 -64.7 -42.1 9.2 50.2 -12.7 28 28 A H H <>S+ 0 0 3 -4,-3.4 5,-2.6 -5,-0.2 6,-0.2 0.942 119.6 34.3 -58.4 -44.3 10.4 47.7 -9.9 29 29 A H H <>S+ 0 0 7 -4,-2.1 5,-1.0 -5,-0.3 -2,-0.2 0.979 127.5 33.4 -75.8 -58.1 8.2 45.0 -11.4 30 30 A Q H <5S+ 0 0 85 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.888 131.5 25.2 -69.5 -44.5 8.3 45.6 -15.1 31 31 A K T X5S+ 0 0 113 -4,-1.7 4,-1.5 -5,-0.5 -3,-0.2 0.925 128.5 33.4 -91.2 -52.4 11.8 46.9 -15.6 32 32 A H H >< S+ 0 0 7 -4,-1.8 3,-0.6 1,-0.2 -2,-0.2 0.929 116.6 41.8 -66.0 -47.8 22.2 32.6 -19.5 44 44 A L H >< S+ 0 0 0 -4,-2.2 3,-1.8 1,-0.2 6,-0.2 0.669 92.2 85.4 -74.1 -24.1 20.4 29.2 -19.3 45 45 A E T 3< S+ 0 0 125 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.837 87.7 53.1 -47.6 -39.9 19.4 29.1 -23.0 46 46 A K T < S+ 0 0 110 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.1 0.536 103.2 60.9 -80.3 0.7 22.8 27.6 -24.1 47 47 A Y X + 0 0 51 -3,-1.8 3,-2.0 1,-0.1 -1,-0.2 -0.735 55.5 176.0-131.3 80.3 22.7 24.7 -21.6 48 48 A P G > S+ 0 0 95 0, 0.0 3,-2.0 0, 0.0 4,-0.2 0.757 76.2 70.4 -54.5 -30.4 19.7 22.4 -22.2 49 49 A Y G 3 S+ 0 0 155 1,-0.3 3,-0.3 2,-0.1 -2,-0.0 0.723 99.5 50.0 -65.3 -16.6 20.7 19.9 -19.4 50 50 A L G X S+ 0 0 13 -3,-2.0 3,-1.2 -6,-0.2 -48,-0.3 0.338 83.4 101.7 -97.9 3.0 19.8 22.7 -16.9 51 51 A H T < S+ 0 0 47 -3,-2.0 -49,-0.4 1,-0.2 -1,-0.2 0.685 78.7 45.7 -66.9 -15.4 16.3 23.3 -18.4 52 52 A G T 3 S+ 0 0 68 -3,-0.3 2,-0.4 -4,-0.2 -1,-0.2 0.289 87.8 109.0-112.1 17.5 14.2 21.4 -16.0 53 53 A V < - 0 0 38 -3,-1.2 -51,-0.4 1,-0.0 2,-0.1 -0.759 67.6-124.6 -96.1 133.7 15.8 22.7 -12.8 54 54 A E >> - 0 0 91 -2,-0.4 4,-1.6 -53,-0.1 3,-0.8 -0.365 27.3-113.3 -69.8 152.3 13.9 25.1 -10.4 55 55 A V H 3> S+ 0 0 5 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.853 114.8 60.7 -60.8 -33.4 15.7 28.4 -9.7 56 56 A E H 3> S+ 0 0 64 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.871 105.6 47.7 -60.3 -41.6 16.1 27.4 -6.0 57 57 A V H <> S+ 0 0 49 -3,-0.8 4,-1.0 2,-0.2 -1,-0.2 0.872 108.4 53.0 -67.9 -40.8 18.1 24.4 -7.0 58 58 A L H < S+ 0 0 3 -4,-1.6 3,-0.5 1,-0.2 -2,-0.2 0.912 110.6 49.7 -59.3 -41.0 20.4 26.3 -9.4 59 59 A L H >< S+ 0 0 2 -4,-2.1 3,-0.8 1,-0.2 -1,-0.2 0.819 107.3 52.6 -69.9 -34.4 21.2 28.7 -6.6 60 60 A R H 3< S+ 0 0 130 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.664 118.0 39.6 -73.6 -13.8 22.0 25.9 -4.1 61 61 A H T >X + 0 0 101 -4,-1.0 3,-1.5 -3,-0.5 4,-0.6 -0.136 69.0 135.6-129.0 38.8 24.4 24.5 -6.7 62 62 A L G X4 S+ 0 0 23 -3,-0.8 3,-1.6 1,-0.3 -1,-0.1 0.877 70.6 61.1 -52.3 -43.4 26.1 27.6 -8.2 63 63 A A G 34 S+ 0 0 94 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.719 102.0 53.9 -60.1 -21.8 29.5 26.0 -8.0 64 64 A A G <4 S+ 0 0 75 -3,-1.5 -1,-0.3 -6,-0.2 -2,-0.2 0.609 87.8 98.4 -87.3 -16.4 28.4 23.2 -10.3 65 65 A L S << S- 0 0 7 -3,-1.6 5,-0.2 -4,-0.6 -3,-0.0 -0.366 93.6 -79.5 -75.2 153.1 27.1 25.5 -13.1 66 66 A P >> - 0 0 12 0, 0.0 3,-1.9 0, 0.0 4,-0.8 -0.222 43.5-121.8 -52.7 138.3 29.3 26.2 -16.2 67 67 A Q G >4 S+ 0 0 169 1,-0.3 3,-0.6 2,-0.2 4,-0.5 0.806 106.8 62.2 -54.9 -34.8 31.7 28.8 -15.2 68 68 A D G 34 S+ 0 0 104 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.532 113.0 35.0 -73.5 -7.8 30.6 31.2 -17.9 69 69 A I G <> S+ 0 0 2 -3,-1.9 4,-2.4 2,-0.1 5,-0.3 0.413 86.9 97.5-123.9 4.2 27.1 31.5 -16.4 70 70 A Q H S+ 0 0 95 -4,-0.5 4,-2.8 2,-0.2 5,-0.3 0.925 113.9 52.5 -64.0 -42.7 27.6 35.0 -12.0 72 72 A A H >>S+ 0 0 32 2,-0.2 4,-2.2 1,-0.2 5,-0.5 0.871 113.2 44.3 -60.1 -40.2 24.7 35.6 -14.4 73 73 A V H X>S+ 0 0 0 -4,-2.4 4,-2.1 3,-0.2 5,-0.8 0.930 113.4 50.6 -72.1 -44.7 22.6 32.9 -12.6 74 74 A R H X5S+ 0 0 101 -4,-2.4 4,-1.1 -5,-0.3 -2,-0.2 0.941 119.9 35.6 -54.1 -51.2 23.6 34.1 -9.1 75 75 A N H X5S+ 0 0 22 -4,-2.8 4,-1.8 3,-0.2 -2,-0.2 0.932 129.8 30.5 -72.1 -48.2 22.7 37.8 -9.9 76 76 A N H X5S+ 0 0 16 -4,-2.2 4,-2.5 -5,-0.3 -3,-0.2 0.868 121.8 48.0 -85.6 -35.4 19.7 37.3 -12.1 77 77 A G H X< S+ 0 0 119 -4,-1.3 3,-1.5 1,-0.2 -1,-0.2 0.883 108.5 54.0 -65.5 -40.2 3.7 38.1 -2.7 89 89 A L H 3< S+ 0 0 3 -4,-2.0 103,-2.8 1,-0.3 -1,-0.2 0.689 107.1 53.6 -68.0 -21.2 4.7 39.4 0.7 90 90 A L T 3< S+ 0 0 0 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.301 75.9 134.5 -94.4 7.6 3.3 42.8 -0.3 91 91 A T X - 0 0 49 -3,-1.5 3,-0.6 101,-0.1 104,-0.1 -0.345 58.4-119.0 -58.2 126.7 -0.1 41.4 -1.3 92 92 A P T 3 S+ 0 0 60 0, 0.0 -1,-0.1 0, 0.0 98,-0.1 -0.260 86.1 43.7 -67.6 155.7 -2.9 43.7 0.3 93 93 A G T 3 S+ 0 0 82 1,-0.3 2,-0.1 0, 0.0 3,-0.1 0.482 82.0 115.7 94.3 10.8 -5.4 42.3 2.8 94 94 A G S < S- 0 0 14 -3,-0.6 -1,-0.3 1,-0.2 2,-0.0 -0.412 73.8 -65.5-107.2 176.5 -3.3 40.2 5.1 95 95 A A - 0 0 23 1,-0.1 98,-2.5 -2,-0.1 99,-0.3 -0.335 33.6-150.8 -60.6 140.9 -2.4 40.3 8.8 96 96 A K S S+ 0 0 91 96,-0.2 -1,-0.1 97,-0.1 95,-0.1 0.437 81.6 41.6 -93.0 -5.1 -0.3 43.3 9.8 97 97 A E S S- 0 0 125 0, 0.0 96,-0.1 0, 0.0 6,-0.1 -0.947 106.5 -75.8-136.5 157.3 1.4 41.4 12.6 98 98 A P - 0 0 10 0, 0.0 2,-0.3 0, 0.0 15,-0.1 -0.244 53.9-175.9 -55.9 141.2 2.7 37.8 12.8 99 99 A V >> - 0 0 47 94,-0.4 4,-1.6 -4,-0.1 3,-0.6 -0.836 38.2 -1.6-131.1 167.9 -0.0 35.2 13.2 100 100 A G H 3> S- 0 0 41 -2,-0.3 4,-1.7 1,-0.2 94,-0.0 -0.141 119.0 -10.8 58.5-138.8 -0.2 31.5 13.7 101 101 A E H 3> S+ 0 0 91 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.860 135.0 54.1 -66.3 -39.3 2.8 29.1 13.9 102 102 A L H <> S+ 0 0 0 -3,-0.6 4,-2.7 1,-0.2 5,-0.2 0.920 106.6 54.1 -64.2 -40.1 5.3 31.8 12.7 103 103 A K H X S+ 0 0 87 -4,-1.6 4,-2.9 1,-0.2 5,-0.3 0.947 107.5 49.2 -59.4 -45.4 4.0 34.0 15.5 104 104 A K H X S+ 0 0 114 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.909 111.9 48.7 -61.5 -39.7 4.7 31.3 18.1 105 105 A A H X S+ 0 0 10 -4,-2.1 4,-3.2 1,-0.2 5,-0.3 0.924 113.0 47.6 -67.3 -40.0 8.3 30.8 16.8 106 106 A I H X>S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 6,-1.2 0.915 113.1 47.5 -67.9 -43.4 8.9 34.6 16.8 107 107 A D H X5S+ 0 0 63 -4,-2.9 4,-0.9 4,-0.3 -2,-0.2 0.939 117.3 44.3 -61.2 -44.4 7.5 35.0 20.4 108 108 A E H <5S+ 0 0 164 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.928 124.3 31.7 -67.3 -46.2 9.6 32.0 21.5 109 109 A Q H <5S+ 0 0 68 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.807 134.1 20.9 -88.2 -30.5 12.8 32.9 19.8 110 110 A F H <5S- 0 0 36 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.1 0.492 102.8-110.6-112.5 -14.2 12.9 36.8 19.7 111 111 A G S < S- 0 0 12 -6,-1.2 4,-1.8 1,-0.1 3,-0.3 -0.644 77.0 -64.6 132.4 168.4 7.8 39.0 20.2 113 113 A F H > S+ 0 0 29 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.855 123.4 57.1 -57.2 -45.2 7.1 41.1 17.1 114 114 A Q H > S+ 0 0 121 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.884 107.9 48.3 -57.4 -42.6 8.6 44.3 18.5 115 115 A A H > S+ 0 0 37 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.920 112.9 48.9 -65.3 -41.1 11.9 42.6 19.1 116 116 A L H X S+ 0 0 0 -4,-1.8 4,-3.2 1,-0.2 5,-0.3 0.906 108.4 52.4 -63.6 -44.6 11.9 41.2 15.6 117 117 A K H X S+ 0 0 47 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.870 110.1 49.7 -57.2 -42.6 11.0 44.5 13.9 118 118 A E H X S+ 0 0 116 -4,-1.6 4,-2.3 -5,-0.2 -2,-0.2 0.947 113.6 44.4 -65.2 -44.8 13.9 46.1 15.7 119 119 A K H X S+ 0 0 105 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.903 115.5 47.0 -66.3 -45.7 16.4 43.3 14.6 120 120 A L H X S+ 0 0 0 -4,-3.2 4,-2.1 2,-0.2 -1,-0.2 0.880 112.0 51.7 -64.1 -40.4 15.1 43.3 11.0 121 121 A T H X S+ 0 0 35 -4,-2.4 4,-2.3 -5,-0.3 5,-0.2 0.925 109.8 49.3 -61.9 -43.7 15.3 47.1 11.0 122 122 A Q H X S+ 0 0 116 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.885 111.0 49.2 -61.2 -42.2 18.9 47.0 12.2 123 123 A A H X S+ 0 0 21 -4,-2.1 4,-0.5 2,-0.2 -1,-0.2 0.892 113.4 47.2 -66.4 -37.8 19.9 44.4 9.6 124 124 A A H >< S+ 0 0 1 -4,-2.1 3,-0.5 1,-0.2 -2,-0.2 0.880 114.4 45.0 -71.4 -39.5 18.3 46.5 6.8 125 125 A M H 3< S+ 0 0 84 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.860 111.7 54.2 -72.3 -35.1 19.9 49.7 7.9 126 126 A G H 3< S+ 0 0 61 -4,-2.1 2,-1.1 -5,-0.2 -1,-0.2 0.518 78.9 102.7 -76.5 -10.1 23.2 48.0 8.3 127 127 A R << - 0 0 54 -4,-0.5 2,-0.3 -3,-0.5 4,-0.1 -0.697 65.8-152.7 -76.8 100.0 23.3 46.6 4.8 128 128 A F - 0 0 49 -2,-1.1 2,-0.2 2,-0.1 -2,-0.1 -0.604 61.3 -4.9 -76.3 130.0 25.8 49.0 3.1 129 129 A G S S- 0 0 4 -2,-0.3 2,-0.3 38,-0.1 204,-0.1 -0.616 121.8 -11.4 86.4-148.4 25.2 49.4 -0.7 130 130 A S S S+ 0 0 4 -2,-0.2 20,-2.2 38,-0.1 2,-0.3 -0.614 86.1 105.0 -91.3 142.2 22.6 47.1 -2.4 131 131 A G E -A 149 0A 0 18,-0.3 36,-2.7 -2,-0.3 2,-0.3 -0.989 54.6-100.9 175.1-169.1 21.1 44.2 -0.7 132 132 A W E -AB 148 166A 0 16,-1.8 16,-2.2 -2,-0.3 2,-0.4 -0.954 19.7-139.0-139.6 146.9 18.1 42.6 1.1 133 133 A A E -AB 147 165A 0 32,-2.1 32,-2.8 -2,-0.3 2,-0.3 -0.891 31.2-166.4-109.8 140.6 17.3 42.0 4.9 134 134 A W E -AB 146 164A 2 12,-3.1 12,-1.7 -2,-0.4 2,-0.5 -0.954 35.0-154.8-134.9 151.8 15.7 38.7 5.8 135 135 A L E +AB 145 163A 0 28,-2.4 27,-2.7 -2,-0.3 28,-2.0 -0.993 41.7 172.1-115.9 122.8 13.9 36.6 8.4 136 136 A V E -AB 144 161A 0 8,-2.6 8,-2.1 -2,-0.5 2,-0.4 -0.893 28.1-137.3-131.3 164.0 14.9 33.0 7.4 137 137 A K E -AB 143 160A 45 23,-2.3 23,-2.8 -2,-0.3 6,-0.2 -0.927 15.7-149.1-118.8 142.7 14.4 29.5 8.9 138 138 A D > - 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0 0 23 -2,-0.4 4,-2.0 -3,-0.2 5,-0.1 -0.346 15.0-124.4 -68.1 150.7 19.3 67.0 -12.7 226 22 B A H > S+ 0 0 18 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.812 107.9 59.0 -64.6 -35.1 19.8 69.7 -10.0 227 23 B K H > S+ 0 0 116 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.930 107.8 46.1 -65.5 -39.7 17.8 67.8 -7.4 228 24 B T H > S+ 0 0 1 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.935 110.0 53.8 -65.3 -46.3 20.1 64.9 -7.6 229 25 B M H X S+ 0 0 2 -4,-2.0 4,-2.2 -12,-0.2 5,-0.3 0.934 112.7 44.9 -55.8 -43.2 23.2 67.1 -7.5 230 26 B E H X S+ 0 0 99 -4,-2.3 4,-2.7 2,-0.2 5,-0.4 0.944 118.1 40.3 -65.1 -50.9 21.9 68.7 -4.3 231 27 B I H X>S+ 0 0 19 -4,-2.5 4,-2.0 2,-0.2 5,-1.9 0.925 114.2 54.8 -64.7 -41.6 20.8 65.5 -2.5 232 28 B H H <>S+ 0 0 4 -4,-3.3 5,-2.4 -5,-0.2 -2,-0.2 0.906 119.0 33.5 -59.9 -43.4 24.0 63.6 -3.8 233 29 B H H <>S+ 0 0 5 -4,-2.2 5,-1.6 -5,-0.3 -2,-0.2 0.968 127.0 34.9 -78.1 -56.3 26.3 66.3 -2.2 234 30 B Q H <5S+ 0 0 93 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.853 130.7 25.6 -71.8 -37.5 24.4 67.5 0.9 235 31 B K T X5S+ 0 0 111 -4,-2.0 4,-1.7 -5,-0.4 -3,-0.2 0.902 129.4 32.1 -96.2 -52.0 22.8 64.2 2.0 236 32 B H H >< S+ 0 0 4 -4,-1.7 3,-0.6 -3,-0.2 -1,-0.2 0.921 115.4 43.5 -69.9 -41.6 34.4 56.8 13.7 248 44 B L H >< S+ 0 0 0 -4,-2.2 3,-1.6 1,-0.2 6,-0.2 0.688 90.1 83.9 -80.4 -19.2 37.7 58.7 14.1 249 45 B E T 3< S+ 0 0 134 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.857 88.4 55.7 -52.4 -35.7 36.7 60.8 17.1 250 46 B K T < S+ 0 0 116 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.1 0.585 101.3 58.8 -77.8 -10.7 37.6 57.9 19.5 251 47 B Y X + 0 0 55 -3,-1.6 3,-2.7 -4,-0.1 4,-0.3 -0.685 55.8 177.9-126.8 79.4 41.2 57.4 18.3 252 48 B P G > S+ 0 0 92 0, 0.0 3,-1.6 0, 0.0 4,-0.2 0.752 78.7 69.7 -46.9 -33.6 43.3 60.6 18.7 253 49 B Y G 3 S+ 0 0 152 1,-0.3 3,-0.3 2,-0.1 -3,-0.0 0.685 98.5 49.1 -65.5 -16.0 46.3 58.7 17.4 254 50 B L G X S+ 0 0 14 -3,-2.7 3,-1.4 -6,-0.2 -48,-0.3 0.394 83.4 98.8-101.0 2.0 44.7 58.6 13.8 255 51 B H T < S+ 0 0 48 -3,-1.6 -49,-0.4 -4,-0.3 -1,-0.2 0.536 77.9 52.4 -68.6 -13.9 43.9 62.3 13.7 256 52 B G T 3 S+ 0 0 67 -3,-0.3 2,-0.4 -4,-0.2 -1,-0.3 0.299 88.2 104.3-105.1 16.2 46.8 63.5 11.7 257 53 B V < - 0 0 38 -3,-1.4 -51,-0.3 1,-0.0 2,-0.1 -0.768 68.4-126.7-104.4 132.9 46.3 61.0 8.9 258 54 B E >> - 0 0 99 -2,-0.4 4,-1.8 -53,-0.1 3,-1.0 -0.411 28.9-113.3 -68.4 152.2 44.9 61.8 5.4 259 55 B V H 3> S+ 0 0 7 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.886 115.5 59.6 -59.6 -36.5 42.0 59.6 4.3 260 56 B E H 3> S+ 0 0 64 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.859 106.1 48.6 -58.5 -39.5 44.1 58.0 1.6 261 57 B V H <> S+ 0 0 60 -3,-1.0 4,-1.0 2,-0.2 -1,-0.2 0.888 109.3 51.6 -67.5 -40.8 46.5 56.8 4.2 262 58 B L H >< S+ 0 0 3 -4,-1.8 3,-0.6 1,-0.2 -2,-0.2 0.918 110.7 49.8 -60.6 -42.9 43.8 55.3 6.3 263 59 B L H >< S+ 0 0 3 -4,-2.6 3,-0.9 1,-0.2 -1,-0.2 0.828 107.3 52.5 -66.9 -34.8 42.4 53.5 3.3 264 60 B R H 3< S+ 0 0 120 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.657 118.0 39.1 -74.1 -18.6 45.7 51.9 2.3 265 61 B H T XX + 0 0 107 -4,-1.0 3,-1.7 -3,-0.6 4,-0.7 -0.125 69.8 135.3-122.9 36.5 46.2 50.6 5.9 266 62 B L G X4 + 0 0 22 -3,-0.9 3,-1.2 1,-0.3 -1,-0.1 0.840 69.3 62.3 -50.8 -41.7 42.7 49.5 6.8 267 63 B A G 34 S+ 0 0 92 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.743 100.8 54.0 -59.3 -21.9 44.0 46.2 8.2 268 64 B A G <4 S+ 0 0 75 -3,-1.7 -1,-0.2 -6,-0.2 -2,-0.2 0.669 88.0 100.5 -84.6 -20.9 45.9 48.2 10.9 269 65 B L S << S- 0 0 9 -3,-1.2 5,-0.2 -4,-0.7 -3,-0.0 -0.334 91.5 -83.8 -71.8 148.3 42.9 50.2 12.2 270 66 B P >> - 0 0 11 0, 0.0 3,-1.7 0, 0.0 4,-0.8 -0.213 43.0-119.1 -49.1 140.9 41.1 49.2 15.3 271 67 B Q T 34 S+ 0 0 166 1,-0.3 4,-0.5 2,-0.2 3,-0.4 0.784 107.8 62.5 -57.3 -34.7 38.6 46.5 14.5 272 68 B D T 34 S+ 0 0 99 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.643 112.7 34.4 -71.0 -12.5 35.6 48.5 15.6 273 69 B I T <> S+ 0 0 0 -3,-1.7 4,-2.9 2,-0.1 5,-0.3 0.456 86.7 97.5-118.9 -3.9 36.1 51.2 12.9 274 70 B Q H X S+ 0 0 61 -4,-0.8 4,-2.5 -3,-0.4 5,-0.2 0.924 92.1 39.3 -52.4 -50.5 37.6 49.3 10.0 275 71 B T H > S+ 0 0 93 -4,-0.5 4,-3.0 2,-0.2 5,-0.3 0.905 114.6 53.0 -67.5 -42.1 34.2 49.0 8.1 276 72 B A H >>S+ 0 0 32 2,-0.2 4,-2.6 1,-0.2 5,-0.5 0.909 114.2 43.4 -59.2 -43.8 33.1 52.5 9.0 277 73 B V H X>S+ 0 0 0 -4,-2.9 4,-1.9 3,-0.2 5,-0.9 0.922 114.0 50.1 -69.4 -41.4 36.4 53.9 7.6 278 74 B R H X5S+ 0 0 103 -4,-2.5 4,-1.3 -5,-0.3 -2,-0.2 0.949 120.3 35.1 -57.4 -53.1 36.3 51.7 4.6 279 75 B N H X5S+ 0 0 22 -4,-3.0 4,-1.8 3,-0.2 -2,-0.2 0.935 130.0 29.8 -72.2 -48.3 32.7 52.7 3.7 280 76 B N H X5S+ 0 0 16 -4,-2.6 4,-2.4 -5,-0.3 -36,-0.2 0.814 122.3 49.8 -85.3 -33.7 32.6 56.3 4.8 281 77 B G H X< S+ 0 0 5 -4,-2.3 3,-0.5 1,-0.2 -1,-0.2 0.888 111.5 50.0 -65.8 -38.3 32.7 66.7 -7.9 292 88 B R H >< S+ 0 0 101 -4,-1.4 3,-1.3 1,-0.2 -1,-0.2 0.891 107.7 53.2 -66.4 -39.0 36.0 67.9 -9.2 293 89 B L H 3< S+ 0 0 1 -4,-2.1 103,-2.8 1,-0.2 -1,-0.2 0.697 107.4 52.7 -69.3 -18.1 35.6 65.7 -12.4 294 90 B L T << S+ 0 0 0 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.329 75.0 136.0 -99.3 4.1 32.2 67.3 -13.1 295 91 B T X - 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