==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 15-MAR-02 1GWH . COMPND 2 MOLECULE: CATALASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MICROCOCCUS LUTEUS; . AUTHOR G.N.MURSHUDOV,A.I.GREBENKO,J.A.BRANNIGAN,A.A.ANTSON, . 498 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25140.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 291 58.4 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 . 75 15.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 28 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 109 21.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.4 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 0 1 1 2 2 1 1 0 1 1 0 1 0 0 0 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 . 6 2 0 1 0 3 0 1 2 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 0 0 0 1 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 6 A T 0 0 181 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 132.1 -12.3 17.9 -29.6 2 7 A T > - 0 0 83 1,-0.1 3,-1.7 0, 0.0 0, 0.0 -0.545 360.0-106.1 -87.2 158.5 -15.7 16.7 -28.4 3 8 A P T 3 S+ 0 0 123 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.709 120.4 36.2 -53.4 -31.2 -18.9 18.9 -28.8 4 9 A H T 3 S+ 0 0 159 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.092 87.3 144.6-112.3 18.7 -19.0 19.9 -25.1 5 10 A A < - 0 0 46 -3,-1.7 4,-0.1 1,-0.1 9,-0.0 -0.196 28.4-174.9 -62.3 151.5 -15.2 20.1 -24.6 6 11 A T - 0 0 75 2,-0.4 -1,-0.1 12,-0.0 3,-0.1 0.414 59.7 -81.9-127.0 -1.6 -13.8 22.7 -22.2 7 12 A G S S+ 0 0 77 1,-0.1 2,-0.3 11,-0.1 -2,-0.1 0.199 105.4 27.7 118.5 -14.6 -10.0 22.4 -22.5 8 13 A S - 0 0 37 5,-0.0 8,-2.3 0, 0.0 -2,-0.4 -0.967 68.9-132.8-164.3 167.9 -9.3 19.5 -20.2 9 14 A T B -A 15 0A 80 6,-0.3 2,-0.1 -2,-0.3 5,-0.1 -0.792 15.3-116.9-123.9 165.5 -11.0 16.3 -18.8 10 15 A R > - 0 0 67 4,-2.7 3,-1.5 -2,-0.3 6,-0.1 -0.251 56.2 -83.5 -79.3-174.7 -11.6 14.4 -15.6 11 16 A Q T 3 S+ 0 0 137 1,-0.3 26,-0.0 2,-0.1 5,-0.0 0.743 129.9 57.0 -69.6 -23.2 -10.2 10.9 -15.3 12 17 A N T 3 S- 0 0 110 2,-0.1 -1,-0.3 3,-0.0 0, 0.0 0.383 119.6-106.4 -86.8 4.6 -13.1 9.4 -17.1 13 18 A G S < S+ 0 0 49 -3,-1.5 -2,-0.1 1,-0.3 3,-0.1 0.360 77.9 132.0 87.0 -4.8 -12.5 11.6 -20.2 14 19 A A S S- 0 0 27 1,-0.1 -4,-2.7 -5,-0.1 -1,-0.3 -0.521 72.2 -84.0 -77.1 147.9 -15.5 13.9 -19.5 15 20 A P B -A 9 0A 33 0, 0.0 -6,-0.3 0, 0.0 -1,-0.1 -0.219 32.1-146.4 -52.3 136.8 -14.9 17.7 -19.7 16 21 A A - 0 0 6 -8,-2.3 2,-2.1 1,-0.1 -7,-0.2 0.681 14.7-153.6 -84.2 -20.4 -13.6 19.0 -16.4 17 22 A V S S+ 0 0 119 -9,-0.4 2,-0.3 2,-0.1 -1,-0.1 -0.326 70.9 20.2 77.8 -53.9 -15.4 22.4 -16.7 18 23 A S - 0 0 42 -2,-2.1 -11,-0.1 1,-0.1 19,-0.0 -0.940 40.3-179.9-149.9 132.8 -12.8 24.2 -14.6 19 24 A D S S+ 0 0 106 -2,-0.3 3,-0.1 1,-0.1 -1,-0.1 0.193 93.4 48.4 -97.3 12.1 -9.2 23.7 -13.5 20 25 A R S S+ 0 0 220 1,-0.3 2,-0.4 2,-0.0 -1,-0.1 0.575 103.7 43.0-131.6 -18.1 -9.4 27.0 -11.5 21 26 A Q - 0 0 150 3,-0.0 -1,-0.3 0, 0.0 2,-0.1 -1.000 68.2-129.6-139.0 142.5 -12.5 27.3 -9.4 22 27 A S - 0 0 46 -2,-0.4 2,-0.7 1,-0.1 -3,-0.0 -0.364 34.2 -95.3 -85.1 166.0 -14.3 24.9 -7.1 23 28 A L + 0 0 83 9,-0.2 9,-2.0 -2,-0.1 2,-0.3 -0.713 55.2 168.9 -89.0 113.5 -18.1 24.1 -7.1 24 29 A T B -B 31 0B 53 -2,-0.7 2,-1.3 7,-0.2 7,-0.2 -0.817 46.7-105.4-125.0 162.6 -19.9 26.2 -4.5 25 30 A V S S- 0 0 92 5,-1.6 4,-0.5 -2,-0.3 3,-0.2 -0.727 97.5 -32.8 -84.8 91.4 -23.4 27.2 -3.4 26 31 A G S > S- 0 0 51 -2,-1.3 3,-0.9 1,-0.2 0, 0.0 0.042 94.1 -68.1 74.4 170.2 -23.3 30.6 -4.9 27 32 A S T 3 S+ 0 0 104 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.820 137.1 40.5 -61.7 -30.9 -20.2 32.7 -5.0 28 33 A E T 3 S+ 0 0 176 -3,-0.2 -1,-0.2 -4,-0.1 -2,-0.2 0.455 99.6 97.4 -98.3 -0.5 -20.1 33.0 -1.2 29 34 A G S < S- 0 0 24 -3,-0.9 -3,-0.1 -4,-0.5 3,-0.1 -0.160 76.9 -80.9 -93.5 177.0 -21.1 29.6 -0.2 30 35 A P - 0 0 93 0, 0.0 -5,-1.6 0, 0.0 2,-0.3 -0.260 46.6 -98.6 -72.7 162.1 -19.4 26.4 0.8 31 36 A I B -B 24 0B 93 -7,-0.2 -7,-0.2 1,-0.0 2,-0.2 -0.621 41.2-128.2 -75.2 137.7 -17.8 23.8 -1.4 32 37 A V > - 0 0 34 -9,-2.0 3,-1.3 -2,-0.3 -9,-0.2 -0.578 12.2-121.6 -89.0 152.4 -20.1 20.8 -2.1 33 38 A L T 3 S+ 0 0 153 1,-0.3 6,-0.1 -2,-0.2 -1,-0.1 0.824 105.9 66.4 -59.2 -31.3 -19.0 17.2 -1.6 34 39 A H T 3 + 0 0 134 1,-0.1 2,-2.0 4,-0.0 -1,-0.3 0.123 57.8 120.0 -89.7 23.6 -19.8 16.4 -5.2 35 40 A D <> + 0 0 19 -3,-1.3 4,-2.2 1,-0.2 5,-0.1 -0.631 39.9 175.0 -77.1 82.3 -17.0 18.6 -6.8 36 41 A T H > S+ 0 0 63 -2,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.756 70.5 55.7 -70.6 -26.1 -15.6 15.4 -8.3 37 42 A H H > S+ 0 0 18 2,-0.2 4,-2.3 -3,-0.2 5,-0.2 0.916 108.4 48.3 -72.3 -39.0 -12.9 17.2 -10.2 38 43 A L H > S+ 0 0 45 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.933 115.0 47.0 -61.1 -47.1 -11.6 18.8 -7.0 39 44 A L H X S+ 0 0 71 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.948 112.9 46.5 -62.8 -47.1 -11.7 15.4 -5.4 40 45 A E H X S+ 0 0 54 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.935 115.0 46.2 -63.0 -46.4 -10.0 13.5 -8.2 41 46 A T H X S+ 0 0 62 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.897 117.3 43.1 -66.4 -41.2 -7.2 16.1 -8.6 42 47 A H H X S+ 0 0 101 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.885 112.0 52.5 -69.6 -41.7 -6.5 16.4 -4.9 43 48 A Q H < S+ 0 0 107 -4,-2.9 4,-0.3 -5,-0.3 -2,-0.2 0.906 113.5 45.3 -66.0 -32.1 -6.6 12.7 -4.2 44 49 A H H >< S+ 0 0 111 -4,-2.2 3,-1.9 -5,-0.3 -2,-0.2 0.953 109.8 52.9 -73.5 -43.1 -4.2 12.2 -7.0 45 50 A F H >< S+ 0 0 136 -4,-2.2 3,-1.4 1,-0.3 4,-0.4 0.893 106.5 55.9 -52.2 -42.2 -1.9 15.0 -5.8 46 51 A N T 3< S+ 0 0 113 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.565 112.0 42.1 -69.8 -10.9 -1.9 13.4 -2.4 47 52 A R T < S+ 0 0 158 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.085 84.1 99.0-123.5 17.1 -0.6 10.1 -3.9 48 53 A M < + 0 0 102 -3,-1.4 2,-0.2 -4,-0.1 -2,-0.1 0.877 67.9 78.8 -69.5 -40.5 2.0 11.6 -6.3 49 54 A N - 0 0 152 -4,-0.4 3,-0.0 -3,-0.0 0, 0.0 -0.476 61.0-170.6 -75.1 139.2 4.9 10.9 -3.9 50 55 A I - 0 0 44 -2,-0.2 295,-0.1 1,-0.0 296,-0.1 -0.878 41.2 -77.9-119.6 160.6 6.4 7.4 -3.6 51 56 A P - 0 0 51 0, 0.0 3,-0.1 0, 0.0 2,-0.0 -0.318 52.9-121.1 -55.4 134.3 8.9 6.2 -1.2 52 57 A E - 0 0 58 1,-0.1 5,-0.1 -3,-0.0 6,-0.1 -0.354 38.0 -85.8 -69.4 156.9 12.4 7.3 -2.2 53 58 A R - 0 0 22 4,-0.2 4,-0.5 3,-0.2 -1,-0.1 -0.353 40.8-122.3 -58.5 142.8 15.0 4.7 -2.8 54 59 A R S S+ 0 0 165 1,-0.2 2,-0.1 2,-0.2 43,-0.1 -0.955 94.1 8.2-125.1 112.5 17.0 3.5 0.1 55 60 A P S S+ 0 0 19 0, 0.0 42,-0.2 0, 0.0 -1,-0.2 0.701 132.4 34.3 -88.1-163.3 19.8 4.1 -0.5 56 61 A H + 0 0 35 40,-2.2 -3,-0.2 -2,-0.1 -2,-0.2 0.738 63.8 152.0 71.1 34.9 20.5 6.2 -3.7 57 62 A A + 0 0 0 39,-0.5 2,-0.7 -4,-0.5 -4,-0.2 0.842 55.5 66.7 -56.7 -43.4 17.5 8.4 -3.4 58 63 A K S S+ 0 0 1 40,-0.7 37,-2.2 45,-0.1 2,-0.3 -0.777 75.3 104.0 -94.0 116.4 19.1 11.4 -5.2 59 64 A G E -C 94 0C 0 -2,-0.7 2,-0.3 35,-0.2 35,-0.2 -0.984 39.1-159.8-170.7 174.9 19.9 10.8 -8.8 60 65 A S E -C 93 0C 9 33,-1.7 33,-3.2 -2,-0.3 2,-0.3 -0.936 15.4-179.6-159.0 176.5 19.2 11.3 -12.5 61 66 A G E -C 92 0C 2 -2,-0.3 2,-0.3 31,-0.3 31,-0.2 -0.942 14.5-138.1-165.7-168.9 20.0 9.6 -15.8 62 67 A A E -C 91 0C 0 29,-1.8 29,-2.6 -2,-0.3 2,-0.2 -0.964 24.2-107.9-159.9 160.9 19.8 9.3 -19.5 63 68 A F E +CD 90 300C 7 237,-3.1 236,-2.1 -2,-0.3 237,-1.9 -0.595 45.1 141.8 -94.9 159.5 19.4 6.8 -22.3 64 69 A G E -CD 89 298C 5 25,-2.3 25,-2.3 234,-0.3 2,-0.3 -0.823 39.1 -91.8-165.1-152.6 22.2 5.8 -24.7 65 70 A E E -CD 88 297C 64 232,-2.5 232,-2.8 23,-0.3 2,-0.4 -0.991 14.9-148.5-148.8 143.6 23.7 2.9 -26.6 66 71 A F E -CD 87 296C 0 21,-2.5 21,-2.5 -2,-0.3 2,-0.5 -0.981 14.8-166.1-115.8 129.6 26.4 0.4 -26.1 67 72 A E E -CD 86 295C 72 228,-2.3 228,-2.2 -2,-0.4 2,-0.5 -0.983 15.2-140.1-117.6 125.8 28.5 -0.9 -29.0 68 73 A V E + D 0 294C 2 17,-2.2 16,-0.4 -2,-0.5 226,-0.3 -0.718 26.6 168.8 -80.1 125.6 30.7 -4.0 -28.9 69 74 A T + 0 0 61 224,-1.9 2,-0.3 -2,-0.5 225,-0.2 0.395 57.9 53.7-118.9 -4.9 34.0 -3.3 -30.8 70 75 A E S S- 0 0 95 223,-1.8 2,-0.7 11,-0.1 14,-0.3 -0.788 84.7-107.3-125.2 171.7 36.1 -6.3 -29.8 71 76 A D + 0 0 103 -2,-0.3 3,-0.2 1,-0.1 11,-0.1 -0.868 46.0 150.1-107.0 104.7 35.6 -10.0 -29.8 72 77 A V >> + 0 0 2 -2,-0.7 3,-2.1 9,-0.5 4,-1.4 0.084 33.4 119.7-115.5 24.4 35.0 -11.5 -26.4 73 78 A S T 34 + 0 0 45 1,-0.3 132,-0.5 2,-0.2 -1,-0.1 0.752 67.3 66.6 -65.6 -25.1 32.8 -14.5 -27.7 74 79 A K T 34 S+ 0 0 124 1,-0.2 -1,-0.3 -3,-0.2 130,-0.2 0.742 107.4 39.3 -66.8 -21.9 35.4 -16.9 -26.2 75 80 A Y T <4 S+ 0 0 42 -3,-2.1 2,-0.3 1,-0.3 135,-0.3 0.742 123.9 21.5 -97.9 -30.5 34.5 -15.7 -22.7 76 81 A T < - 0 0 0 -4,-1.4 128,-0.3 126,-0.1 -1,-0.3 -1.000 42.0-158.6-145.6 147.3 30.7 -15.3 -23.0 77 82 A K + 0 0 71 126,-2.2 127,-0.1 -2,-0.3 245,-0.1 0.379 54.6 132.1 -92.2 -1.9 27.7 -16.4 -25.0 78 83 A A > - 0 0 0 125,-0.3 3,-1.4 244,-0.3 4,-0.2 -0.318 57.1-140.2 -58.3 128.1 25.6 -13.4 -23.9 79 84 A L G > S+ 0 0 75 242,-0.3 3,-1.6 1,-0.3 -1,-0.2 0.851 97.5 63.9 -58.9 -38.2 24.0 -11.8 -26.9 80 85 A V G 3 S+ 0 0 1 1,-0.3 -1,-0.3 36,-0.1 -12,-0.1 0.769 107.9 41.5 -58.5 -26.8 24.6 -8.3 -25.7 81 86 A F G < S+ 0 0 0 -3,-1.4 -9,-0.5 -9,-0.1 -1,-0.3 0.228 84.8 120.9-111.6 18.2 28.4 -8.8 -25.9 82 87 A Q S X S- 0 0 48 -3,-1.6 3,-2.1 -4,-0.2 -14,-0.2 -0.426 79.9 -70.3 -80.0 153.0 28.6 -10.7 -29.2 83 88 A P T 3 S+ 0 0 67 0, 0.0 -1,-0.2 0, 0.0 -12,-0.1 -0.105 115.0 1.8 -49.3 132.0 30.7 -9.1 -31.9 84 89 A G T 3 S+ 0 0 55 -16,-0.4 2,-0.2 -14,-0.3 -15,-0.1 0.375 89.3 150.9 78.3 -2.2 29.3 -6.0 -33.5 85 90 A T < - 0 0 40 -3,-2.1 -17,-2.2 -6,-0.1 2,-0.4 -0.435 28.6-162.9 -73.1 133.6 26.2 -5.8 -31.3 86 91 A K E -C 67 0C 137 -19,-0.2 2,-0.4 -2,-0.2 -19,-0.2 -0.956 11.8-175.9-113.4 133.0 24.6 -2.5 -30.5 87 92 A T E -C 66 0C 10 -21,-2.5 -21,-2.5 -2,-0.4 2,-0.1 -0.989 26.5-118.6-134.9 132.7 22.2 -2.3 -27.6 88 93 A E E -C 65 0C 60 29,-0.4 29,-2.7 -2,-0.4 2,-0.3 -0.453 38.7-167.6 -64.0 141.5 20.0 0.5 -26.2 89 94 A T E -CE 64 116C 0 -25,-2.3 -25,-2.3 27,-0.2 2,-0.4 -0.896 22.9-156.5-131.6 163.2 20.8 1.5 -22.6 90 95 A L E -CE 63 115C 0 25,-1.6 25,-3.0 -2,-0.3 2,-0.4 -0.992 15.9-169.6-135.6 133.2 19.5 3.5 -19.6 91 96 A L E -CE 62 114C 0 -29,-2.6 -29,-1.8 -2,-0.4 2,-0.5 -0.996 5.1-167.7-129.5 124.8 21.9 4.8 -17.0 92 97 A R E -CE 61 113C 8 21,-2.3 21,-2.5 -2,-0.4 2,-0.3 -0.976 6.8-163.1-110.4 127.8 21.0 6.3 -13.6 93 98 A F E +CE 60 112C 0 -33,-3.2 -33,-1.7 -2,-0.5 2,-0.3 -0.746 20.2 156.2-101.5 157.0 23.6 8.1 -11.6 94 99 A S E -CE 59 111C 4 17,-1.0 17,-2.3 -2,-0.3 -35,-0.2 -0.995 40.1-116.5-165.8 160.8 23.1 8.8 -7.9 95 100 A T - 0 0 4 -37,-2.2 15,-0.2 -2,-0.3 16,-0.1 -0.314 29.7-136.3 -89.0-169.9 24.6 9.6 -4.5 96 101 A V S S+ 0 0 5 13,-0.4 -40,-2.2 -40,-0.1 -39,-0.5 0.781 81.9 32.4-113.1 -55.1 24.0 7.0 -1.6 97 102 A A S S+ 0 0 1 -42,-0.2 11,-0.0 12,-0.2 -40,-0.0 0.848 93.0 88.5 -84.2 -37.7 23.1 8.6 1.7 98 103 A G S S- 0 0 0 5,-0.1 -40,-0.7 1,-0.1 -41,-0.4 -0.241 71.2-119.7 -72.4 154.4 21.1 11.7 1.0 99 104 A E > - 0 0 44 -42,-0.2 3,-2.3 -43,-0.1 -1,-0.1 -0.146 46.3 -71.0 -85.0-179.8 17.4 11.9 0.5 100 105 A L T 3 S+ 0 0 74 1,-0.3 -41,-0.2 -42,-0.1 -1,-0.1 0.626 130.2 32.7 -45.8 -33.6 15.4 13.1 -2.5 101 106 A G T 3 S+ 0 0 65 -43,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.156 88.6 125.0-114.8 14.9 16.2 16.8 -2.3 102 107 A S S < S- 0 0 9 -3,-2.3 -4,-0.0 1,-0.1 4,-0.0 -0.398 71.5 -86.3 -77.1 150.0 19.7 16.6 -0.9 103 108 A P > - 0 0 24 0, 0.0 3,-0.9 0, 0.0 136,-0.2 -0.304 26.0-136.8 -60.3 142.7 22.6 18.4 -2.7 104 109 A D T 3 S+ 0 0 2 134,-2.6 135,-0.1 1,-0.2 134,-0.1 0.736 95.3 64.2 -66.6 -27.4 24.4 16.5 -5.4 105 110 A T T 3 + 0 0 1 125,-0.2 -1,-0.2 132,-0.1 129,-0.2 0.076 67.4 125.9 -99.5 29.2 27.8 17.6 -4.3 106 111 A W S < S- 0 0 37 -3,-0.9 2,-0.4 1,-0.1 383,-0.2 -0.460 74.9 -97.5 -69.8 150.4 28.0 15.9 -0.9 107 112 A R S S+ 0 0 21 381,-2.0 2,-0.3 -2,-0.1 78,-0.2 -0.623 77.5 113.5 -69.6 124.2 31.1 13.7 -0.3 108 113 A D - 0 0 5 76,-1.7 2,-0.1 -2,-0.4 381,-0.0 -0.978 70.0 -74.7-174.2 167.8 29.8 10.2 -1.0 109 114 A V - 0 0 3 -2,-0.3 2,-0.4 76,-0.1 -13,-0.4 -0.493 46.7-137.6 -70.4 150.2 29.9 7.1 -3.2 110 115 A R - 0 0 0 -15,-0.2 19,-2.5 -2,-0.1 -15,-0.2 -0.967 9.3-129.8-113.9 140.4 28.1 7.5 -6.6 111 116 A G E -EF 94 128C 2 -17,-2.3 -17,-1.0 -2,-0.4 17,-0.3 -0.482 14.2-168.7 -83.0 151.6 25.9 4.9 -8.2 112 117 A F E +EF 93 127C 2 15,-2.4 15,-2.5 -19,-0.2 2,-0.7 -0.754 13.8 178.8-142.4 80.0 26.4 3.8 -11.8 113 118 A A E -EF 92 126C 13 -21,-2.5 -21,-2.3 13,-0.2 2,-0.5 -0.837 5.3-175.6-101.2 115.0 23.3 1.8 -12.6 114 119 A L E -EF 91 125C 0 11,-2.5 11,-3.3 -2,-0.7 2,-0.4 -0.932 10.0-169.3-122.3 123.6 23.3 0.5 -16.2 115 120 A R E -EF 90 124C 0 -25,-3.0 -25,-1.6 -2,-0.5 2,-0.5 -0.945 5.5-161.1-109.9 137.0 20.6 -1.3 -18.1 116 121 A F E -EF 89 123C 0 7,-2.8 7,-2.7 -2,-0.4 2,-1.5 -0.967 14.6-144.4-112.9 124.3 21.0 -3.0 -21.4 117 122 A Y E - F 0 122C 12 -29,-2.7 -29,-0.4 -2,-0.5 5,-0.2 -0.635 36.5-178.4 -87.1 82.3 17.8 -3.8 -23.3 118 123 A T E > - 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0 0 52 1,-0.1 4,-2.3 0, 0.0 5,-0.2 -0.393 31.5 -98.5 -80.5 172.2 50.5 11.8 -5.3 435 440 A D H > S+ 0 0 118 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.900 126.6 49.5 -57.5 -44.4 52.1 14.0 -2.6 436 441 A Q H > S+ 0 0 112 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.894 110.0 51.1 -64.7 -39.9 49.4 16.7 -3.1 437 442 A E H > S+ 0 0 69 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.872 109.4 50.9 -65.0 -37.5 46.7 14.0 -2.9 438 443 A R H X S+ 0 0 47 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.901 109.3 50.5 -64.8 -42.1 48.2 12.8 0.3 439 444 A D H X S+ 0 0 62 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.943 113.6 45.2 -58.8 -46.0 48.2 16.3 1.7 440 445 A D H X S+ 0 0 85 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.873 109.7 56.1 -65.1 -38.7 44.5 16.8 0.8 441 446 A F H X S+ 0 0 1 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.901 105.2 51.2 -63.1 -43.7 43.7 13.4 2.2 442 447 A V H X S+ 0 0 2 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.943 111.4 47.7 -59.2 -45.5 45.1 14.3 5.6 443 448 A E H X S+ 0 0 56 -4,-1.8 42,-2.1 1,-0.2 4,-1.9 0.864 113.5 48.7 -65.0 -38.0 43.0 17.5 5.6 444 449 A T H X S+ 0 0 5 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.943 114.5 42.8 -62.5 -53.6 39.9 15.6 4.6 445 450 A V H X S+ 0 0 0 -4,-2.7 4,-1.1 2,-0.2 -2,-0.2 0.931 115.1 49.4 -64.3 -43.0 40.2 12.8 7.1 446 451 A A H >X S+ 0 0 0 -4,-2.7 3,-0.7 -5,-0.3 4,-0.5 0.926 112.6 49.4 -62.3 -41.6 41.1 15.2 9.9 447 452 A G H >< S+ 0 0 10 -4,-1.9 3,-1.1 -5,-0.3 -1,-0.2 0.901 107.1 53.6 -60.0 -43.8 38.2 17.4 9.0 448 453 A A H 3< S+ 0 0 8 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.700 110.3 49.1 -65.1 -21.5 35.8 14.4 9.0 449 454 A L H X< S+ 0 0 0 -4,-1.1 3,-1.8 -3,-0.7 -1,-0.2 0.428 81.5 120.4 -95.5 -4.8 37.0 13.6 12.5 450 455 A K T << S+ 0 0 90 -3,-1.1 42,-0.4 -4,-0.5 -291,-0.1 -0.443 85.9 6.9 -66.7 125.8 36.5 17.1 13.9 451 456 A G T 3 S+ 0 0 40 1,-0.3 -1,-0.3 -2,-0.2 42,-0.2 0.372 93.2 144.7 84.5 -3.9 34.1 17.2 16.8 452 457 A V < - 0 0 5 -3,-1.8 -1,-0.3 40,-0.2 5,-0.1 -0.385 65.5 -88.0 -67.8 140.5 33.9 13.4 16.9 453 458 A R >> - 0 0 105 45,-0.2 4,-2.4 1,-0.1 3,-0.8 -0.230 41.0-120.8 -53.7 134.7 33.5 11.8 20.3 454 459 A Q H 3> S+ 0 0 158 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.808 108.8 52.6 -56.1 -40.7 37.0 11.3 21.8 455 460 A D H 3> S+ 0 0 83 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.895 112.5 46.8 -60.2 -38.7 36.9 7.6 22.3 456 461 A V H <> S+ 0 0 0 -3,-0.8 4,-2.4 2,-0.2 -2,-0.2 0.913 110.2 53.5 -71.6 -38.9 35.8 7.1 18.7 457 462 A Q H X S+ 0 0 19 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.911 106.1 53.8 -57.8 -42.6 38.6 9.5 17.5 458 463 A A H X S+ 0 0 50 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.918 108.8 47.6 -62.2 -43.1 41.1 7.4 19.4 459 464 A R H X S+ 0 0 63 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.903 108.9 55.9 -64.4 -36.0 39.9 4.3 17.6 460 465 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.860 102.3 55.3 -62.7 -37.2 40.1 6.2 14.3 461 466 A F H X S+ 0 0 21 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.928 109.4 46.5 -62.4 -40.9 43.8 7.0 14.9 462 467 A E H X S+ 0 0 145 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.917 111.7 53.0 -65.4 -42.6 44.6 3.3 15.3 463 468 A Y H X S+ 0 0 7 -4,-2.3 4,-1.2 1,-0.2 3,-0.3 0.937 111.6 44.2 -57.9 -49.1 42.6 2.5 12.2 464 469 A W H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 8,-0.4 0.870 109.5 55.6 -69.9 -36.7 44.5 5.0 10.1 465 470 A K H < S+ 0 0 74 -4,-2.3 -1,-0.2 7,-0.2 -2,-0.2 0.822 104.2 55.7 -61.8 -29.7 47.8 4.0 11.5 466 471 A N H < S+ 0 0 96 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.807 108.2 48.3 -69.5 -32.5 47.0 0.4 10.3 467 472 A V H < S- 0 0 2 -4,-1.2 2,-0.3 1,-0.3 -2,-0.2 0.957 140.7 -18.1 -67.5 -53.9 46.5 1.7 6.9 468 473 A D X - 0 0 22 -4,-2.5 4,-2.6 1,-0.1 -1,-0.3 -0.895 54.9-144.1-159.7 124.3 49.7 3.7 6.9 469 474 A A H > S+ 0 0 69 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.898 101.5 45.4 -59.5 -39.5 51.9 4.7 9.9 470 475 A T H > S+ 0 0 94 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.938 115.7 43.6 -73.5 -47.9 52.9 8.0 8.5 471 476 A I H > S+ 0 0 3 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.878 112.7 54.7 -62.7 -39.3 49.5 9.1 7.2 472 477 A G H X S+ 0 0 0 -4,-2.6 4,-2.4 -8,-0.4 -7,-0.2 0.888 109.0 47.2 -63.0 -40.8 47.9 8.0 10.4 473 478 A Q H X S+ 0 0 77 -4,-1.9 4,-2.6 -5,-0.2 5,-0.2 0.916 110.8 52.0 -66.2 -40.8 50.3 10.1 12.5 474 479 A R H X S+ 0 0 91 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.894 111.4 47.0 -61.3 -42.3 49.7 13.1 10.3 475 480 A I H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.953 111.9 50.3 -63.4 -48.0 46.0 12.7 10.7 476 481 A E H X S+ 0 0 20 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.920 110.2 50.4 -54.9 -47.5 46.3 12.3 14.5 477 482 A D H X S+ 0 0 64 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.900 112.7 46.0 -61.9 -43.6 48.5 15.5 14.8 478 483 A E H <>S+ 0 0 15 -4,-2.0 5,-2.5 -5,-0.2 3,-0.5 0.921 112.1 50.2 -68.8 -40.0 46.0 17.5 12.8 479 484 A V H ><5S+ 0 0 5 -4,-2.8 3,-1.5 1,-0.2 -2,-0.2 0.886 107.2 54.6 -63.8 -41.0 43.0 16.3 14.7 480 485 A K H 3<5S+ 0 0 141 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.741 109.7 48.3 -65.7 -23.4 44.7 17.0 18.1 481 486 A R T 3<5S- 0 0 149 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.312 114.6-120.5 -90.9 0.9 45.2 20.6 16.8 482 487 A H T < 5 + 0 0 135 -3,-1.5 2,-0.2 1,-0.2 -3,-0.2 0.862 66.6 137.5 60.4 41.1 41.5 20.8 15.7 483 488 A E < + 0 0 106 -5,-2.5 -1,-0.2 -6,-0.1 2,-0.2 -0.699 14.8 95.9-108.5 168.3 42.4 21.5 12.1 484 489 A G - 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