==== 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 1GWF . 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) . 25124.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 289 58.0 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 . 73 14.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.6 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 . 1 0.2 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 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 22.1 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 1 3 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 . 5 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 0 178 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -95.6 -12.3 18.2 -29.6 2 7 A T > - 0 0 81 1,-0.1 3,-1.2 0, 0.0 0, 0.0 -0.406 360.0-105.1 -78.5 161.0 -15.8 16.9 -28.5 3 8 A P T 3 S+ 0 0 128 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.775 122.2 37.7 -56.6 -29.8 -19.0 19.3 -28.9 4 9 A H T 3 S+ 0 0 154 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.206 87.9 141.4-110.1 8.2 -19.1 19.9 -25.1 5 10 A A < - 0 0 39 -3,-1.2 4,-0.1 1,-0.1 9,-0.0 -0.050 30.3-173.5 -53.3 154.2 -15.2 20.1 -24.5 6 11 A T - 0 0 73 2,-0.4 -1,-0.1 12,-0.0 3,-0.1 0.472 57.9 -84.3-131.8 -4.8 -13.9 22.7 -22.1 7 12 A G S S+ 0 0 81 1,-0.1 2,-0.3 11,-0.1 -2,-0.1 0.201 105.3 32.0 116.0 -13.0 -10.1 22.4 -22.5 8 13 A S - 0 0 35 5,-0.0 8,-2.8 0, 0.0 9,-0.5 -0.959 69.1-133.5-162.5 164.8 -9.4 19.5 -20.1 9 14 A T B -A 15 0A 81 6,-0.3 2,-0.1 -2,-0.3 5,-0.1 -0.791 15.1-118.6-120.2 162.0 -11.0 16.3 -18.8 10 15 A R > - 0 0 71 4,-3.0 3,-1.6 -2,-0.3 6,-0.1 -0.241 55.3 -84.9 -76.9-176.2 -11.7 14.5 -15.6 11 16 A Q T 3 S+ 0 0 139 1,-0.3 -1,-0.0 2,-0.1 26,-0.0 0.756 129.2 57.8 -71.2 -24.6 -10.3 11.0 -15.2 12 17 A N T 3 S- 0 0 109 2,-0.1 -1,-0.3 1,-0.0 0, 0.0 0.452 120.9-105.0 -82.7 -1.8 -13.2 9.4 -17.0 13 18 A G S < S+ 0 0 50 -3,-1.6 -2,-0.1 1,-0.3 3,-0.1 0.302 78.1 132.7 94.2 -2.5 -12.5 11.5 -20.1 14 19 A A S S- 0 0 27 1,-0.1 -4,-3.0 -5,-0.1 -1,-0.3 -0.520 72.1 -84.6 -77.8 146.2 -15.5 13.9 -19.6 15 20 A P B -A 9 0A 33 0, 0.0 -6,-0.3 0, 0.0 -1,-0.1 -0.212 34.0-148.0 -46.7 133.6 -15.0 17.7 -19.8 16 21 A A - 0 0 8 -8,-2.8 2,-2.0 1,-0.1 -7,-0.2 0.651 14.7-153.1 -84.1 -19.2 -13.7 19.0 -16.4 17 22 A V + 0 0 119 -9,-0.5 2,-0.3 2,-0.1 -1,-0.1 -0.342 69.0 21.1 78.4 -54.9 -15.4 22.4 -16.8 18 23 A S + 0 0 43 -2,-2.0 -11,-0.1 3,-0.1 19,-0.0 -0.951 40.1 179.8-147.5 129.5 -12.9 24.3 -14.6 19 24 A D S S+ 0 0 107 -2,-0.3 3,-0.1 1,-0.1 -2,-0.1 0.163 92.1 49.3 -94.3 9.4 -9.3 23.8 -13.4 20 25 A R S S+ 0 0 221 1,-0.3 2,-0.3 2,-0.0 -1,-0.1 0.598 102.5 44.6-130.9 -17.5 -9.5 27.1 -11.5 21 26 A Q - 0 0 156 3,-0.0 -1,-0.3 0, 0.0 2,-0.1 -0.997 68.3-130.6-135.2 146.2 -12.7 27.4 -9.3 22 27 A S - 0 0 47 -2,-0.3 2,-0.7 -3,-0.1 -3,-0.0 -0.405 35.2 -94.4 -88.2 165.2 -14.4 25.0 -6.9 23 28 A L + 0 0 85 9,-0.2 9,-2.6 -2,-0.1 2,-0.3 -0.712 55.4 171.1 -86.9 112.4 -18.2 24.1 -6.9 24 29 A T B -B 31 0B 53 -2,-0.7 2,-1.3 7,-0.3 7,-0.2 -0.782 44.9-109.5-125.4 160.8 -20.0 26.3 -4.4 25 30 A V S S- 0 0 94 5,-1.7 4,-0.4 -2,-0.3 3,-0.2 -0.709 96.5 -30.9 -85.3 93.4 -23.5 27.2 -3.3 26 31 A G S > S- 0 0 52 -2,-1.3 3,-0.9 1,-0.2 0, 0.0 0.016 95.2 -67.7 73.4 168.1 -23.5 30.7 -4.7 27 32 A S T 3 S+ 0 0 102 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.831 137.2 38.2 -55.3 -35.2 -20.3 32.8 -4.9 28 33 A E T 3 S+ 0 0 171 -3,-0.2 -1,-0.2 -4,-0.1 -2,-0.2 0.449 99.7 99.1-100.4 -3.1 -20.1 33.1 -1.2 29 34 A G S < S- 0 0 24 -3,-0.9 -3,-0.1 -4,-0.4 3,-0.1 -0.135 76.4 -80.2 -89.6 177.7 -21.2 29.6 -0.1 30 35 A P - 0 0 94 0, 0.0 -5,-1.7 0, 0.0 2,-0.3 -0.233 47.8 -99.3 -72.8 161.3 -19.4 26.4 0.9 31 36 A I B -B 24 0B 86 -7,-0.2 -7,-0.3 1,-0.0 2,-0.2 -0.654 41.2-123.0 -76.0 140.5 -17.9 23.9 -1.5 32 37 A V > - 0 0 32 -9,-2.6 3,-1.4 -2,-0.3 -9,-0.2 -0.585 10.9-123.1 -84.5 150.6 -20.1 21.0 -2.2 33 38 A L T 3 S+ 0 0 153 1,-0.3 6,-0.1 -2,-0.2 -1,-0.1 0.844 107.2 66.0 -57.4 -34.4 -19.0 17.3 -1.5 34 39 A H T 3 + 0 0 132 1,-0.1 2,-1.9 4,-0.1 -1,-0.3 0.210 58.7 120.1 -85.5 24.2 -19.8 16.4 -5.2 35 40 A D <> + 0 0 17 -3,-1.4 4,-2.2 1,-0.2 5,-0.1 -0.606 38.9 173.8 -76.8 83.7 -17.1 18.6 -6.7 36 41 A T H > S+ 0 0 62 -2,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.784 70.0 56.4 -72.0 -25.2 -15.6 15.5 -8.2 37 42 A H H > S+ 0 0 20 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.926 109.0 47.8 -75.5 -39.6 -13.0 17.3 -10.2 38 43 A L H > S+ 0 0 49 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.945 114.8 46.1 -60.9 -45.1 -11.7 18.9 -7.0 39 44 A L H X S+ 0 0 72 -4,-2.2 4,-3.0 1,-0.2 5,-0.3 0.941 112.9 48.1 -66.5 -47.5 -11.7 15.5 -5.3 40 45 A E H X S+ 0 0 55 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.914 114.5 46.0 -61.4 -41.0 -10.0 13.6 -8.1 41 46 A T H X S+ 0 0 62 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.894 116.6 43.7 -74.1 -38.0 -7.3 16.2 -8.5 42 47 A H H X S+ 0 0 103 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.906 112.4 51.9 -68.4 -44.1 -6.6 16.5 -4.8 43 48 A Q H < S+ 0 0 108 -4,-3.0 -2,-0.2 -5,-0.3 4,-0.2 0.898 113.1 46.0 -62.9 -34.3 -6.7 12.8 -4.3 44 49 A H H >< S+ 0 0 105 -4,-2.1 3,-1.7 -5,-0.3 -2,-0.2 0.937 110.7 51.1 -69.7 -43.4 -4.2 12.3 -7.1 45 50 A F H >< S+ 0 0 129 -4,-2.1 3,-1.7 1,-0.3 4,-0.4 0.915 106.4 56.8 -57.0 -44.3 -1.9 15.0 -5.9 46 51 A N T 3< S+ 0 0 112 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.545 111.8 42.6 -64.7 -12.5 -1.9 13.4 -2.5 47 52 A R T < S+ 0 0 155 -3,-1.7 -1,-0.3 -4,-0.2 -2,-0.2 0.120 82.9 97.9-119.9 14.3 -0.7 10.2 -4.0 48 53 A X < + 0 0 114 -3,-1.7 2,-0.1 2,-0.0 -2,-0.1 0.879 69.2 79.4 -70.3 -38.7 2.0 11.5 -6.4 49 54 A N - 0 0 154 -4,-0.4 3,-0.0 3,-0.0 0, 0.0 -0.439 59.5-173.3 -72.3 142.2 4.8 10.8 -4.0 50 55 A I - 0 0 49 -2,-0.1 296,-0.1 1,-0.0 295,-0.1 -0.849 42.9 -75.9-124.3 160.1 6.2 7.3 -3.6 51 56 A P - 0 0 51 0, 0.0 3,-0.1 0, 0.0 2,-0.1 -0.343 53.4-117.7 -54.1 137.5 8.8 6.2 -1.1 52 57 A E - 0 0 61 1,-0.1 5,-0.1 -3,-0.0 6,-0.1 -0.345 38.8 -87.3 -68.3 153.3 12.3 7.3 -2.1 53 58 A R - 0 0 23 4,-0.2 4,-0.4 3,-0.2 -1,-0.1 -0.394 41.1-121.1 -55.9 139.6 15.0 4.7 -2.8 54 59 A R S S+ 0 0 161 2,-0.2 2,-0.1 1,-0.1 43,-0.1 -0.950 92.8 7.0-123.7 115.5 16.9 3.5 0.1 55 60 A P S S+ 0 0 18 0, 0.0 42,-0.2 0, 0.0 41,-0.1 0.628 132.0 36.3 -84.8-162.2 19.8 4.1 -0.5 56 61 A H + 0 0 37 40,-2.1 -3,-0.2 -2,-0.1 -2,-0.2 0.756 64.1 153.5 70.8 33.3 20.6 6.1 -3.6 57 62 A A + 0 0 0 39,-0.6 2,-0.7 41,-0.4 -4,-0.2 0.850 55.4 65.6 -54.6 -40.2 17.5 8.4 -3.3 58 63 A K S S+ 0 0 1 40,-0.6 37,-2.1 45,-0.1 2,-0.3 -0.782 74.9 99.9 -99.3 115.7 19.1 11.4 -5.1 59 64 A G E -C 94 0C 0 -2,-0.7 2,-0.3 35,-0.2 35,-0.2 -0.984 38.0-161.5-173.5 177.2 19.9 10.9 -8.8 60 65 A S E +C 93 0C 11 33,-1.3 33,-2.8 -2,-0.3 2,-0.3 -0.905 15.4 175.2-161.1 179.4 19.1 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 -0.947 16.2-128.3-169.9-164.4 20.1 9.7 -15.8 62 67 A A E -C 91 0C 0 29,-1.7 29,-2.6 -2,-0.3 2,-0.2 -0.974 23.0-107.1-164.4 157.7 19.8 9.3 -19.6 63 68 A F E +CD 90 300C 7 237,-3.2 236,-2.3 -2,-0.3 237,-2.0 -0.622 45.4 136.9 -91.0 158.9 19.4 6.8 -22.4 64 69 A G E -CD 89 298C 6 25,-2.2 25,-2.3 234,-0.3 2,-0.3 -0.798 41.3 -85.4-166.7-150.1 22.0 5.7 -24.8 65 70 A E E -CD 88 297C 71 232,-2.8 232,-2.6 23,-0.3 2,-0.4 -0.999 15.5-146.7-148.2 140.1 23.6 2.9 -26.7 66 71 A F E -CD 87 296C 0 21,-2.8 21,-2.6 -2,-0.3 2,-0.5 -0.924 16.5-165.8-104.8 135.3 26.3 0.3 -26.1 67 72 A E E -CD 86 295C 78 228,-2.1 228,-2.1 -2,-0.4 2,-0.4 -0.982 13.3-143.4-124.5 115.4 28.4 -0.9 -29.1 68 73 A V E + D 0 294C 2 17,-2.5 16,-0.4 -2,-0.5 226,-0.3 -0.665 25.8 168.1 -73.1 129.6 30.6 -4.0 -28.9 69 74 A T + 0 0 61 224,-2.0 2,-0.2 -2,-0.4 225,-0.2 0.260 57.6 51.6-127.8 6.0 33.9 -3.4 -30.9 70 75 A E S S- 0 0 94 223,-1.3 2,-0.6 11,-0.1 14,-0.3 -0.747 84.9-103.7-131.6 179.1 36.0 -6.4 -29.8 71 76 A D + 0 0 99 -2,-0.2 3,-0.1 1,-0.1 11,-0.1 -0.910 46.3 148.8-117.7 102.9 35.5 -10.2 -29.6 72 77 A V >> + 0 0 1 -2,-0.6 3,-2.6 9,-0.5 4,-1.8 0.164 36.2 117.5-116.4 18.2 34.9 -11.6 -26.2 73 78 A S T 34 + 0 0 44 1,-0.3 132,-0.5 2,-0.2 -1,-0.1 0.778 67.9 67.9 -56.1 -29.0 32.8 -14.5 -27.5 74 79 A K T 34 S+ 0 0 128 1,-0.2 -1,-0.3 -3,-0.1 130,-0.2 0.773 108.9 34.3 -64.6 -21.4 35.4 -16.8 -26.1 75 80 A Y T <4 S+ 0 0 40 -3,-2.6 2,-0.4 1,-0.3 135,-0.2 0.727 125.8 26.9-103.3 -30.0 34.4 -15.7 -22.5 76 81 A T < - 0 0 0 -4,-1.8 128,-0.3 126,-0.1 -1,-0.3 -0.995 42.1-161.9-142.5 143.5 30.7 -15.2 -23.0 77 82 A K + 0 0 70 126,-2.5 245,-0.1 -2,-0.4 127,-0.1 0.437 52.8 133.3 -87.1 -3.4 27.7 -16.3 -25.0 78 83 A A > - 0 0 0 125,-0.3 3,-1.2 244,-0.2 4,-0.2 -0.264 56.2-140.3 -57.1 128.5 25.6 -13.3 -23.9 79 84 A L G > S+ 0 0 73 242,-0.3 3,-1.6 1,-0.3 -1,-0.2 0.857 98.3 61.2 -59.0 -41.3 23.9 -11.8 -27.0 80 85 A V G 3 S+ 0 0 1 1,-0.3 -1,-0.3 36,-0.1 -12,-0.2 0.802 109.2 42.2 -57.9 -28.7 24.5 -8.2 -25.8 81 86 A F G < S+ 0 0 0 -3,-1.2 -9,-0.5 -9,-0.1 -1,-0.3 0.223 84.4 119.4-107.6 18.4 28.3 -8.7 -25.8 82 87 A Q S X S- 0 0 48 -3,-1.6 3,-2.2 -4,-0.2 -14,-0.2 -0.529 81.8 -71.5 -81.2 149.0 28.6 -10.7 -29.1 83 88 A P T 3 S+ 0 0 67 0, 0.0 -1,-0.1 0, 0.0 -14,-0.1 -0.024 116.1 4.6 -44.6 135.1 30.8 -9.0 -31.8 84 89 A G T 3 S+ 0 0 53 -16,-0.4 2,-0.1 -14,-0.3 -15,-0.1 0.195 88.0 152.7 76.5 -8.8 29.3 -6.0 -33.4 85 90 A T < - 0 0 40 -3,-2.2 -17,-2.5 -6,-0.1 2,-0.5 -0.260 27.9-162.3 -68.7 131.8 26.2 -5.8 -31.2 86 91 A K E -C 67 0C 125 -19,-0.2 2,-0.4 -2,-0.1 -19,-0.2 -0.932 13.4-177.7-108.5 128.6 24.5 -2.5 -30.6 87 92 A T E -C 66 0C 10 -21,-2.6 -21,-2.8 -2,-0.5 2,-0.1 -0.984 27.8-118.8-132.2 132.4 22.1 -2.3 -27.6 88 93 A E E -C 65 0C 58 29,-0.4 29,-2.6 -2,-0.4 2,-0.3 -0.442 40.4-169.5 -61.3 138.8 19.8 0.5 -26.2 89 94 A T E -CE 64 116C 0 -25,-2.3 -25,-2.2 27,-0.2 2,-0.4 -0.899 23.8-157.1-128.7 166.6 20.7 1.5 -22.7 90 95 A L E -CE 63 115C 0 25,-1.8 25,-3.1 -2,-0.3 2,-0.4 -0.991 13.6-168.6-140.4 135.2 19.6 3.5 -19.7 91 96 A L E -CE 62 114C 0 -29,-2.6 -29,-1.7 -2,-0.4 2,-0.5 -0.989 3.4-167.5-128.9 123.6 22.0 4.8 -17.0 92 97 A R E -CE 61 113C 9 21,-2.4 21,-2.4 -2,-0.4 2,-0.3 -0.957 7.5-163.1-110.2 128.6 20.9 6.3 -13.6 93 98 A F E +CE 60 112C 0 -33,-2.8 -33,-1.3 -2,-0.5 2,-0.3 -0.706 19.7 156.8-104.6 155.4 23.6 8.1 -11.5 94 99 A S E -CE 59 111C 4 17,-1.0 17,-2.1 -2,-0.3 -35,-0.2 -0.994 39.7-116.8-163.7 160.5 23.1 8.8 -7.8 95 100 A T - 0 0 5 -37,-2.1 15,-0.1 -2,-0.3 16,-0.1 -0.330 28.9-136.6 -88.8-168.3 24.6 9.5 -4.5 96 101 A V S S+ 0 0 8 13,-0.4 -40,-2.1 -40,-0.1 -39,-0.6 0.776 81.4 32.1-113.6 -56.7 24.0 7.1 -1.6 97 102 A A S S+ 0 0 1 12,-0.2 11,-0.1 -42,-0.2 -40,-0.0 0.891 93.5 86.0 -83.2 -40.8 23.1 8.6 1.7 98 103 A G S S- 0 0 0 5,-0.1 -40,-0.6 1,-0.1 -41,-0.4 -0.147 71.5-119.6 -72.4 156.3 21.1 11.8 1.0 99 104 A E > - 0 0 44 -42,-0.2 3,-2.3 -43,-0.1 -1,-0.1 -0.207 45.2 -69.9 -88.5-175.5 17.4 11.9 0.5 100 105 A L T 3 S+ 0 0 69 1,-0.3 -41,-0.2 -47,-0.1 -2,-0.1 0.635 130.8 34.5 -48.9 -33.1 15.4 13.1 -2.5 101 106 A G T 3 S+ 0 0 67 -43,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.287 89.0 125.5-107.8 4.8 16.1 16.8 -2.2 102 107 A S S < S- 0 0 9 -3,-2.3 -4,-0.0 1,-0.1 4,-0.0 -0.277 71.0 -90.1 -71.8 146.1 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 -0.333 25.1-136.1 -57.3 137.1 22.5 18.4 -2.8 104 109 A D T 3 S+ 0 0 2 134,-2.3 135,-0.1 1,-0.2 134,-0.1 0.744 96.8 63.8 -63.1 -28.8 24.3 16.4 -5.5 105 110 A T T 3 + 0 0 0 125,-0.2 -1,-0.2 132,-0.2 129,-0.2 0.083 68.0 125.3 -96.6 25.9 27.8 17.5 -4.4 106 111 A W S < S- 0 0 41 -3,-0.9 2,-0.3 1,-0.1 383,-0.2 -0.485 75.6 -95.9 -67.4 151.8 27.9 15.9 -1.0 107 112 A R S S+ 0 0 20 381,-2.1 2,-0.3 -2,-0.1 78,-0.2 -0.591 77.0 111.8 -72.7 129.1 30.9 13.7 -0.4 108 113 A D - 0 0 8 76,-1.8 2,-0.1 -2,-0.3 381,-0.0 -0.956 69.8 -74.6-179.4 162.9 29.8 10.1 -1.1 109 114 A V - 0 0 5 -2,-0.3 2,-0.4 76,-0.1 -13,-0.4 -0.451 48.0-136.3 -65.6 147.8 29.9 7.1 -3.3 110 115 A R - 0 0 0 -15,-0.1 19,-2.3 -2,-0.1 -15,-0.2 -0.960 8.7-130.1-109.5 139.6 28.1 7.5 -6.6 111 116 A G E -EF 94 128C 2 -17,-2.1 -17,-1.0 -2,-0.4 17,-0.3 -0.517 14.7-170.3 -82.2 155.5 25.9 4.9 -8.2 112 117 A F E +EF 93 127C 0 15,-2.6 15,-2.3 -19,-0.2 2,-0.7 -0.762 12.4 178.2-146.8 74.7 26.3 3.8 -11.8 113 118 A A E -EF 92 126C 12 -21,-2.4 -21,-2.4 13,-0.3 2,-0.5 -0.859 7.2-174.5 -93.2 110.7 23.2 1.7 -12.6 114 119 A L E -EF 91 125C 0 11,-2.5 11,-3.1 -2,-0.7 2,-0.4 -0.928 8.6-167.7-115.9 119.3 23.3 0.5 -16.3 115 120 A R E -EF 90 124C 1 -25,-3.1 -25,-1.8 -2,-0.5 2,-0.5 -0.902 5.1-160.2-102.0 140.0 20.5 -1.4 -18.1 116 121 A F E -EF 89 123C 0 7,-2.8 7,-2.7 -2,-0.4 2,-1.7 -0.975 14.1-144.4-114.4 121.5 21.0 -3.0 -21.5 117 122 A Y E - F 0 122C 10 -29,-2.6 -29,-0.4 -2,-0.5 5,-0.2 -0.585 37.5-178.3 -86.1 79.7 17.7 -3.7 -23.3 118 123 A T E > - 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0 0 53 1,-0.1 4,-2.2 0, 0.0 5,-0.2 -0.380 31.9 -98.7 -80.8 171.5 50.2 11.8 -5.6 435 440 A D H > S+ 0 0 117 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.892 126.4 47.5 -57.4 -45.1 51.8 14.0 -3.0 436 441 A Q H > S+ 0 0 116 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.888 109.7 53.0 -69.9 -38.1 49.2 16.6 -3.4 437 442 A E H > S+ 0 0 71 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.890 109.1 51.4 -60.7 -37.3 46.4 14.0 -3.2 438 443 A R H X S+ 0 0 45 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.876 109.1 50.1 -65.0 -42.4 47.9 12.8 0.1 439 444 A D H X S+ 0 0 64 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.902 112.6 45.5 -60.2 -52.4 48.0 16.3 1.4 440 445 A D H X S+ 0 0 84 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.848 110.2 56.1 -59.4 -38.6 44.3 16.8 0.5 441 446 A F H X S+ 0 0 1 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.897 105.5 50.8 -61.7 -41.7 43.4 13.4 2.0 442 447 A V H X S+ 0 0 5 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.931 111.1 48.2 -64.9 -40.3 44.9 14.3 5.3 443 448 A E H X S+ 0 0 65 -4,-1.6 4,-2.2 2,-0.2 42,-1.4 0.915 114.4 47.7 -65.9 -42.1 42.8 17.6 5.3 444 449 A T H X S+ 0 0 4 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.946 115.0 42.5 -59.2 -56.4 39.7 15.6 4.3 445 450 A V H X S+ 0 0 0 -4,-2.9 4,-1.1 2,-0.2 -2,-0.2 0.921 116.4 47.4 -65.5 -41.6 40.1 12.8 6.9 446 451 A A H >X S+ 0 0 0 -4,-2.4 4,-0.7 -5,-0.3 3,-0.6 0.934 112.9 51.1 -62.4 -42.1 41.1 15.2 9.7 447 452 A G H >< S+ 0 0 9 -4,-2.2 3,-1.2 -5,-0.3 -2,-0.2 0.930 108.0 51.5 -57.8 -48.3 38.2 17.4 8.7 448 453 A A H 3< S+ 0 0 9 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.670 110.2 50.5 -63.1 -23.1 35.8 14.4 8.9 449 454 A L H X< S+ 0 0 0 -4,-1.1 3,-1.9 -3,-0.6 -1,-0.2 0.496 80.4 120.2 -90.7 -6.9 37.1 13.6 12.4 450 455 A K T << S+ 0 0 73 -3,-1.2 42,-0.3 -4,-0.7 -291,-0.1 -0.362 86.2 5.5 -64.3 129.1 36.6 17.2 13.8 451 456 A G T 3 S+ 0 0 36 1,-0.3 42,-0.3 -2,-0.1 -1,-0.3 0.439 93.5 144.0 79.5 0.2 34.2 17.2 16.7 452 457 A V < - 0 0 5 -3,-1.9 -1,-0.3 40,-0.2 5,-0.1 -0.459 66.0 -86.8 -73.7 146.8 34.0 13.4 16.7 453 458 A R >> - 0 0 113 1,-0.1 4,-2.7 45,-0.1 3,-0.8 -0.181 40.1-121.8 -60.7 134.5 33.7 11.9 20.2 454 459 A Q H 3> S+ 0 0 154 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.840 108.1 53.9 -53.3 -41.0 37.2 11.3 21.6 455 460 A D H 3> S+ 0 0 72 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.878 112.6 45.5 -60.1 -39.6 36.9 7.6 22.2 456 461 A V H <> S+ 0 0 0 -3,-0.8 4,-2.3 2,-0.2 -2,-0.2 0.894 109.9 54.8 -72.5 -37.9 35.9 7.1 18.5 457 462 A Q H X S+ 0 0 25 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.929 106.0 52.3 -59.3 -41.5 38.7 9.5 17.3 458 463 A A H X S+ 0 0 48 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.901 109.4 48.7 -64.8 -39.2 41.3 7.4 19.2 459 464 A R H X S+ 0 0 64 -4,-1.4 4,-2.6 1,-0.2 -1,-0.2 0.898 109.4 54.0 -65.6 -38.8 40.0 4.3 17.4 460 465 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.839 104.0 54.6 -63.1 -38.0 40.2 6.2 14.1 461 466 A F H X S+ 0 0 18 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.935 110.2 46.2 -61.9 -42.7 43.9 7.1 14.7 462 467 A E H X S+ 0 0 131 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.954 112.0 52.5 -62.5 -46.9 44.7 3.4 15.2 463 468 A Y H X S+ 0 0 7 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.924 112.1 44.2 -51.8 -50.5 42.6 2.6 12.0 464 469 A W H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 8,-0.5 0.885 110.7 53.6 -72.0 -33.5 44.5 5.1 9.9 465 470 A K H < S+ 0 0 75 -4,-2.5 -1,-0.2 7,-0.2 -2,-0.2 0.888 105.1 56.0 -64.1 -32.7 47.9 4.0 11.2 466 471 A N H < S+ 0 0 99 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.846 108.4 47.8 -66.6 -34.0 47.0 0.4 10.2 467 472 A V H < S- 0 0 2 -4,-1.2 2,-0.2 1,-0.3 -1,-0.2 0.935 141.5 -19.6 -64.6 -53.7 46.4 1.7 6.7 468 473 A D X - 0 0 19 -4,-2.3 4,-2.6 -5,-0.1 -1,-0.3 -0.815 54.7-141.7-159.8 127.5 49.7 3.6 6.7 469 474 A A H > S+ 0 0 71 -2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.872 102.5 46.7 -61.5 -40.9 51.8 4.7 9.6 470 475 A T H > S+ 0 0 97 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.960 114.9 44.0 -71.1 -50.7 52.8 8.1 8.0 471 476 A I H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.897 113.0 54.0 -57.3 -41.6 49.4 9.1 6.9 472 477 A G H X S+ 0 0 0 -4,-2.6 4,-2.5 -8,-0.5 -7,-0.2 0.892 109.4 46.2 -62.2 -42.1 47.9 8.0 10.2 473 478 A Q H X S+ 0 0 80 -4,-1.9 4,-2.6 -5,-0.2 5,-0.2 0.894 112.2 52.3 -69.5 -33.9 50.3 10.2 12.2 474 479 A R H X S+ 0 0 89 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.924 110.7 46.2 -67.3 -42.3 49.7 13.1 9.9 475 480 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.951 113.5 49.3 -62.1 -50.8 45.9 12.8 10.4 476 481 A E H X S+ 0 0 20 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.927 110.7 50.4 -57.8 -48.4 46.2 12.4 14.2 477 482 A D H X S+ 0 0 66 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.918 113.0 46.5 -51.4 -49.5 48.5 15.5 14.4 478 483 A E H <>S+ 0 0 6 -4,-2.1 5,-2.2 -5,-0.2 3,-0.3 0.907 112.2 48.9 -68.8 -37.0 46.1 17.5 12.3 479 484 A V H ><5S+ 0 0 14 -4,-2.5 3,-1.6 1,-0.2 -1,-0.2 0.882 108.5 53.7 -67.4 -40.9 43.0 16.4 14.3 480 485 A K H 3<5S+ 0 0 149 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.726 106.3 55.0 -67.9 -18.9 44.8 17.2 17.6 481 486 A R T 3<5S- 0 0 136 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.410 115.1-120.0 -85.6 1.3 45.4 20.8 16.2 482 487 A H T < 5 + 0 0 133 -3,-1.6 2,-0.2 1,-0.2 -3,-0.2 0.882 69.9 132.0 59.3 40.8 41.7 21.1 15.6 483 488 A E < + 0 0 91 -5,-2.2 -1,-0.2 2,-0.0 2,-0.2 -0.745 15.0 89.5-117.8 167.8 42.2 21.5 11.8 484 489 A G - 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