==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 14-MAR-10 3M5X . COMPND 2 MOLECULE: OROTIDINE 5'-PHOSPHATE DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOTHERMOBACTER THERMAUTOTROPHICUS . AUTHOR A.A.FEDOROV,E.V.FEDOROV,B.M.WOOD,J.A.GERLT,S.C.ALMO . 424 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16860.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 317 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 74 17.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 23 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 161 38.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.9 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 3 0 0 2 0 0 2 6 0 2 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 12 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 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 2 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 5 A R 0 0 155 0, 0.0 3,-0.2 0, 0.0 169,-0.0 0.000 360.0 360.0 360.0 146.4 14.1 31.1 -36.4 2 6 A V + 0 0 146 1,-0.2 4,-0.1 4,-0.0 0, 0.0 0.791 360.0 54.4 -91.6 -30.2 11.0 32.4 -38.3 3 7 A D S S+ 0 0 83 2,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.458 96.9 79.4 -86.4 -0.5 8.4 29.6 -37.9 4 8 A V S S- 0 0 15 -3,-0.2 145,-0.0 1,-0.1 167,-0.0 -0.817 94.2 -92.3-103.2 149.7 8.7 29.7 -34.1 5 9 A M - 0 0 26 -2,-0.3 2,-0.6 1,-0.1 -1,-0.1 -0.134 29.9-128.2 -59.8 151.0 7.0 32.4 -32.1 6 10 A D - 0 0 124 -4,-0.1 2,-0.6 3,-0.0 -1,-0.1 -0.913 19.0-162.6-100.4 119.6 8.6 35.7 -31.1 7 11 A V > - 0 0 17 -2,-0.6 3,-2.2 180,-0.1 5,-0.1 -0.917 29.3-113.2-103.3 120.7 8.4 36.4 -27.4 8 12 A M G > S- 0 0 68 -2,-0.6 3,-1.5 1,-0.3 27,-0.3 -0.299 94.6 -9.8 -56.4 126.2 9.0 40.1 -26.6 9 13 A N G 3 S- 0 0 69 1,-0.3 -1,-0.3 25,-0.1 3,-0.1 0.633 108.9 -89.2 57.7 17.1 12.3 40.4 -24.6 10 14 A R G < S+ 0 0 100 -3,-2.2 179,-2.9 1,-0.2 2,-0.5 0.761 97.2 123.0 56.8 28.5 12.5 36.6 -24.2 11 15 A L E < -a 189 0A 0 -3,-1.5 25,-0.5 177,-0.2 2,-0.5 -0.966 43.1-168.5-131.9 115.2 10.4 37.1 -21.0 12 16 A I E -a 190 0A 0 177,-3.1 179,-3.1 -2,-0.5 2,-0.6 -0.888 19.5-134.4-104.3 127.6 7.1 35.4 -20.3 13 17 A L E -ab 191 37A 0 23,-2.0 25,-3.1 -2,-0.5 2,-1.1 -0.711 7.6-147.7 -81.5 121.9 5.0 36.5 -17.3 14 18 A A E - b 0 38A 5 177,-3.0 2,-1.6 -2,-0.6 182,-0.2 -0.773 13.8-161.3 -85.8 98.3 3.6 33.6 -15.3 15 19 A M E + b 0 39A 0 23,-2.4 25,-0.6 -2,-1.1 28,-0.2 -0.606 28.0 155.4 -86.5 85.7 0.3 35.2 -14.2 16 20 A D + 0 0 31 -2,-1.6 -1,-0.2 23,-0.1 23,-0.1 0.329 27.0 117.6-100.0 5.1 -0.4 32.9 -11.2 17 21 A L - 0 0 26 1,-0.1 26,-0.0 -3,-0.1 -2,-0.0 -0.365 55.5-146.5 -68.4 154.6 -2.7 35.3 -9.2 18 22 A M S S+ 0 0 50 28,-0.1 2,-0.5 -2,-0.1 -1,-0.1 0.510 70.8 78.4-109.1 -6.1 -6.2 34.1 -8.7 19 23 A N S > S- 0 0 54 1,-0.1 4,-2.3 28,-0.0 5,-0.2 -0.911 70.9-139.3-110.8 135.5 -8.2 37.3 -8.7 20 24 A R H > S+ 0 0 75 -2,-0.5 4,-2.7 1,-0.2 5,-0.3 0.856 98.5 54.1 -55.9 -45.2 -9.0 39.2 -11.9 21 25 A D H > S+ 0 0 98 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.936 113.1 42.3 -58.5 -48.4 -8.4 42.7 -10.6 22 26 A D H > S+ 0 0 51 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.888 114.4 51.5 -65.1 -42.1 -4.8 41.9 -9.4 23 27 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.940 113.1 43.3 -62.1 -49.6 -4.0 39.9 -12.5 24 28 A L H X S+ 0 0 9 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.916 112.7 54.3 -63.8 -42.1 -5.1 42.5 -15.0 25 29 A R H X S+ 0 0 126 -4,-2.2 4,-1.8 -5,-0.3 -2,-0.2 0.940 111.8 42.0 -58.0 -53.0 -3.4 45.3 -13.0 26 30 A V H X S+ 0 0 6 -4,-2.3 4,-1.1 2,-0.2 -1,-0.2 0.914 114.8 50.6 -62.0 -43.9 0.0 43.7 -12.9 27 31 A T H >X S+ 0 0 2 -4,-2.1 4,-0.8 -5,-0.2 3,-0.7 0.914 108.6 51.9 -64.6 -43.3 -0.2 42.6 -16.6 28 32 A G H >< S+ 0 0 33 -4,-2.7 3,-0.9 1,-0.2 4,-0.3 0.905 106.6 55.7 -54.0 -42.2 -1.1 46.1 -17.7 29 33 A E H 3< S+ 0 0 87 -4,-1.8 -1,-0.2 1,-0.2 3,-0.2 0.752 113.8 38.4 -68.6 -22.5 1.9 47.5 -15.8 30 34 A V H XX S+ 0 0 1 -4,-1.1 3,-2.6 -3,-0.7 4,-2.0 0.414 81.2 104.6-109.0 2.7 4.3 45.2 -17.6 31 35 A R T << S+ 0 0 74 -3,-0.9 -1,-0.1 -4,-0.8 -2,-0.1 0.760 75.4 62.5 -58.0 -25.9 2.9 45.3 -21.2 32 36 A E T 34 S+ 0 0 146 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.663 117.6 29.4 -70.8 -13.6 5.6 47.6 -22.3 33 37 A Y T <4 S+ 0 0 61 -3,-2.6 2,-0.4 1,-0.3 -2,-0.2 0.638 122.5 42.8-116.7 -26.7 8.1 44.9 -21.5 34 38 A I < + 0 0 1 -4,-2.0 -1,-0.3 -7,-0.2 -25,-0.1 -0.989 42.0 174.1-134.5 132.0 6.2 41.6 -22.0 35 39 A D + 0 0 35 -2,-0.4 27,-3.1 -27,-0.3 2,-0.4 0.397 68.7 69.1-115.0 1.7 3.9 40.5 -24.8 36 40 A T E - c 0 62A 0 -25,-0.5 -23,-2.0 25,-0.2 2,-0.4 -0.987 58.5-175.1-131.0 120.6 3.4 36.9 -23.7 37 41 A V E -bc 13 63A 1 25,-2.8 27,-2.4 -2,-0.4 2,-0.5 -0.965 13.1-151.3-122.6 129.1 1.5 35.9 -20.6 38 42 A K E -bc 14 64A 16 -25,-3.1 -23,-2.4 -2,-0.4 2,-0.4 -0.885 18.5-173.9 -98.9 124.5 1.1 32.3 -19.3 39 43 A I E -bc 15 65A 0 25,-2.5 27,-2.9 -2,-0.5 2,-0.2 -0.950 2.2-163.1-124.0 150.0 -2.1 31.7 -17.3 40 44 A G E > - c 0 66A 5 -25,-0.6 4,-1.9 -2,-0.4 3,-0.4 -0.489 39.1 -84.5-122.2-178.4 -3.1 28.6 -15.4 41 45 A Y H > S+ 0 0 10 25,-0.6 4,-3.1 1,-0.2 5,-0.5 0.824 114.8 68.8 -61.1 -34.4 -6.1 26.9 -13.9 42 46 A P H > S+ 0 0 3 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.950 109.8 35.5 -51.4 -47.4 -5.9 28.9 -10.6 43 47 A L H > S+ 0 0 1 -3,-0.4 4,-2.5 -28,-0.2 5,-0.4 0.955 120.9 44.7 -72.1 -49.7 -6.9 32.1 -12.4 44 48 A V H X S+ 0 0 3 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.848 114.1 48.8 -69.7 -31.4 -9.3 30.6 -15.0 45 49 A L H < S+ 0 0 11 -4,-3.1 -1,-0.2 -5,-0.2 218,-0.2 0.848 117.0 43.6 -73.3 -31.4 -11.1 28.4 -12.5 46 50 A S H < S+ 0 0 50 -4,-1.2 -2,-0.2 -5,-0.5 -1,-0.2 0.845 132.0 18.9 -76.7 -36.6 -11.5 31.3 -10.1 47 51 A E H < S- 0 0 83 -4,-2.5 -3,-0.2 1,-0.1 -2,-0.2 0.582 111.1-102.3-116.7 -15.2 -12.5 34.0 -12.6 48 52 A G >< - 0 0 23 -4,-2.0 3,-1.7 -5,-0.4 4,-0.2 -0.023 30.4 -86.3 104.4 151.7 -13.7 32.1 -15.7 49 53 A M T >> S+ 0 0 17 1,-0.3 3,-1.7 210,-0.2 4,-0.6 0.708 115.6 78.5 -66.1 -18.4 -12.3 31.3 -19.1 50 54 A D H 3> S+ 0 0 140 1,-0.3 4,-1.7 2,-0.2 -1,-0.3 0.739 75.6 76.2 -60.7 -22.1 -13.6 34.7 -20.3 51 55 A I H <> S+ 0 0 3 -3,-1.7 4,-2.4 1,-0.2 -1,-0.3 0.801 85.8 62.2 -62.4 -25.3 -10.6 36.2 -18.6 52 56 A I H <> S+ 0 0 0 -3,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.964 103.8 46.0 -63.5 -52.2 -8.4 35.0 -21.5 53 57 A A H X S+ 0 0 28 -4,-0.6 4,-2.9 33,-0.3 5,-0.3 0.867 110.8 56.7 -55.1 -37.5 -10.3 37.2 -24.0 54 58 A E H X S+ 0 0 38 -4,-1.7 4,-2.4 1,-0.2 5,-0.3 0.933 105.6 47.8 -63.0 -48.1 -10.0 40.0 -21.5 55 59 A F H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 6,-0.7 0.916 115.9 45.6 -55.8 -46.4 -6.2 39.8 -21.4 56 60 A R H X S+ 0 0 96 -4,-2.1 4,-2.0 3,-0.2 -2,-0.2 0.927 115.8 43.9 -68.0 -42.8 -6.0 39.8 -25.1 57 61 A K H < S+ 0 0 181 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.829 120.4 41.5 -71.9 -32.8 -8.5 42.6 -25.8 58 62 A R H < S+ 0 0 140 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.900 134.8 13.1 -80.8 -42.4 -7.1 44.8 -23.1 59 63 A F H < S- 0 0 38 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.2 0.510 85.7-129.4-117.0 -10.1 -3.4 44.3 -23.6 60 64 A G < + 0 0 51 -4,-2.0 2,-0.2 -5,-0.5 -4,-0.2 0.837 55.5 152.4 58.1 33.7 -3.0 42.5 -27.0 61 65 A C - 0 0 3 -6,-0.7 2,-0.3 1,-0.0 -25,-0.2 -0.636 51.2-111.3 -93.2 154.2 -0.8 39.9 -25.4 62 66 A R E -c 36 0A 56 -27,-3.1 -25,-2.8 -2,-0.2 2,-0.5 -0.615 34.2-144.7 -73.7 140.4 -0.3 36.3 -26.5 63 67 A I E -c 37 0A 0 -2,-0.3 26,-1.8 24,-0.3 27,-1.6 -0.959 13.0-166.5-118.2 124.1 -1.8 33.9 -24.0 64 68 A I E -cd 38 90A 0 -27,-2.4 -25,-2.5 -2,-0.5 2,-0.9 -0.948 17.4-143.0-104.7 120.0 -0.3 30.5 -23.2 65 69 A A E -cd 39 91A 0 25,-3.2 27,-2.5 -2,-0.6 2,-2.0 -0.752 6.8-158.8 -87.6 106.2 -2.8 28.3 -21.3 66 70 A D E +c 40 0A 13 -27,-2.9 -25,-0.6 -2,-0.9 25,-0.1 -0.561 41.8 139.1 -84.6 73.6 -0.7 26.3 -18.8 67 71 A F E - 0 0 6 -2,-2.0 -1,-0.2 25,-0.4 3,-0.2 0.419 54.1-140.8-100.4 -1.0 -3.3 23.6 -18.4 68 72 A K E - 0 0 23 -3,-0.2 25,-0.3 1,-0.2 -2,-0.1 0.880 24.6-145.3 39.1 54.8 -0.9 20.7 -18.3 69 73 A V E + d 0 93A 2 23,-1.9 25,-2.5 1,-0.1 -1,-0.2 -0.246 35.5 159.5 -56.9 128.7 -3.3 18.7 -20.4 70 74 A A + 0 0 6 -3,-0.2 2,-0.2 23,-0.2 -1,-0.1 -0.210 28.7 104.9-153.1 45.4 -3.2 15.1 -19.3 71 75 A D S S- 0 0 13 1,-0.2 265,-0.0 30,-0.1 210,-0.0 -0.500 76.1 -64.8-117.0-172.2 -6.3 13.1 -20.2 72 76 A I > - 0 0 59 -2,-0.2 4,-3.0 1,-0.1 3,-0.3 -0.321 59.4 -98.3 -70.8 162.0 -7.3 10.5 -22.9 73 77 A P H > S+ 0 0 31 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.871 120.6 49.8 -53.6 -43.4 -7.2 11.7 -26.5 74 78 A E H > S+ 0 0 71 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.896 115.2 43.4 -64.9 -40.9 -10.9 12.5 -26.8 75 79 A T H > S+ 0 0 17 -3,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.897 110.8 55.5 -71.0 -38.8 -11.0 14.5 -23.7 76 80 A N H X S+ 0 0 2 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.906 105.9 53.4 -57.4 -40.7 -7.7 16.2 -24.6 77 81 A E H X S+ 0 0 74 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.933 110.8 45.2 -58.2 -48.7 -9.4 17.3 -27.9 78 82 A K H X S+ 0 0 33 -4,-1.6 4,-2.6 2,-0.2 5,-0.2 0.881 112.0 51.5 -65.0 -42.0 -12.3 18.8 -26.1 79 83 A I H X S+ 0 0 6 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.951 113.2 44.8 -60.6 -49.8 -10.1 20.6 -23.6 80 84 A C H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 5,-0.3 0.908 112.9 51.4 -61.2 -43.4 -7.9 22.1 -26.3 81 85 A R H X S+ 0 0 59 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.934 112.0 45.2 -61.0 -46.6 -11.0 23.1 -28.4 82 86 A A H X S+ 0 0 11 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.893 115.5 49.2 -62.4 -38.6 -12.7 24.9 -25.4 83 87 A T H <>S+ 0 0 0 -4,-2.3 5,-2.0 -5,-0.2 -2,-0.2 0.903 113.4 43.8 -70.1 -41.8 -9.4 26.6 -24.6 84 88 A F H ><5S+ 0 0 0 -4,-2.8 3,-1.3 3,-0.2 -2,-0.2 0.869 110.1 56.6 -70.7 -37.9 -8.6 27.8 -28.1 85 89 A K H 3<5S+ 0 0 151 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.896 102.6 56.0 -58.6 -38.2 -12.3 28.9 -28.6 86 90 A A T 3<5S- 0 0 25 -4,-1.7 -33,-0.3 -5,-0.2 -1,-0.3 0.552 130.3 -99.1 -71.8 -10.0 -11.8 31.1 -25.5 87 91 A G T < 5 + 0 0 15 -3,-1.3 -24,-0.3 1,-0.3 -3,-0.2 0.415 65.7 155.9 112.0 1.0 -8.9 32.6 -27.3 88 92 A A < - 0 0 0 -5,-2.0 -1,-0.3 1,-0.2 -24,-0.1 -0.345 31.6-154.8 -59.0 136.7 -5.7 31.0 -26.0 89 93 A D S S+ 0 0 35 -26,-1.8 26,-2.0 1,-0.2 2,-0.3 0.784 76.2 8.2 -78.9 -30.0 -2.8 31.2 -28.5 90 94 A A E -de 64 115A 0 -27,-1.6 -25,-3.2 24,-0.2 2,-0.4 -0.972 62.6-150.6-149.7 159.7 -1.1 28.1 -27.1 91 95 A I E -de 65 116A 0 24,-1.8 26,-3.0 -2,-0.3 2,-0.5 -0.987 15.9-132.9-135.8 142.1 -1.7 25.3 -24.6 92 96 A I E - e 0 117A 2 -27,-2.5 -23,-1.9 -2,-0.4 2,-0.4 -0.862 27.4-170.9 -96.7 130.4 0.8 23.3 -22.5 93 97 A V E -de 69 118A 0 24,-3.1 26,-2.9 -2,-0.5 2,-0.2 -0.938 22.1-119.5-124.7 141.2 0.3 19.5 -22.5 94 98 A H E - e 0 119A 8 -25,-2.5 26,-0.1 -2,-0.4 -23,-0.1 -0.504 12.6-158.8 -71.7 145.4 1.8 16.7 -20.5 95 99 A G S > S+ 0 0 0 24,-1.0 3,-2.4 -2,-0.2 7,-0.1 0.647 75.3 85.2 -96.9 -17.8 3.8 14.0 -22.4 96 100 A F T 3 S+ 0 0 3 1,-0.3 249,-0.5 23,-0.2 248,-0.4 0.787 80.0 63.3 -62.4 -25.9 3.5 11.3 -19.8 97 101 A P T 3 S- 0 0 1 0, 0.0 4,-0.3 0, 0.0 -1,-0.3 0.561 112.7-117.1 -76.7 -1.2 0.1 10.1 -21.0 98 102 A G <> - 0 0 0 -3,-2.4 4,-1.4 1,-0.2 5,-0.1 -0.250 32.9 -52.3 103.0 177.8 1.8 9.2 -24.3 99 103 A A H > S+ 0 0 18 1,-0.2 4,-2.8 241,-0.2 5,-0.2 0.831 123.0 54.8 -68.2 -37.9 1.8 10.0 -28.0 100 104 A D H > S+ 0 0 25 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.909 108.2 49.9 -65.8 -39.3 -1.9 9.6 -28.8 101 105 A S H > S+ 0 0 0 -4,-0.3 4,-0.9 1,-0.2 -1,-0.2 0.851 114.0 46.0 -66.2 -35.2 -2.9 12.1 -26.1 102 106 A V H X S+ 0 0 0 -4,-1.4 4,-2.2 2,-0.2 3,-0.5 0.905 109.9 53.3 -70.8 -41.7 -0.4 14.6 -27.4 103 107 A R H X S+ 0 0 114 -4,-2.8 4,-2.5 1,-0.3 -2,-0.2 0.882 100.5 61.2 -65.3 -34.3 -1.4 14.1 -31.0 104 108 A A H X S+ 0 0 9 -4,-2.1 4,-1.7 1,-0.2 -1,-0.3 0.901 107.7 45.6 -56.7 -38.7 -5.1 14.8 -30.1 105 109 A C H X S+ 0 0 0 -4,-0.9 4,-2.4 -3,-0.5 -1,-0.2 0.912 110.1 52.9 -71.9 -41.1 -3.9 18.2 -29.0 106 110 A L H X S+ 0 0 38 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.852 105.9 56.2 -60.0 -35.4 -1.8 18.7 -32.1 107 111 A N H X S+ 0 0 87 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.939 109.7 42.7 -64.0 -49.3 -4.9 17.8 -34.2 108 112 A V H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.894 112.8 53.8 -65.6 -39.5 -7.1 20.6 -32.7 109 113 A A H X>S+ 0 0 8 -4,-2.4 5,-2.2 2,-0.2 4,-1.2 0.887 109.3 49.4 -59.1 -36.9 -4.2 23.0 -32.9 110 114 A E H <5S+ 0 0 166 -4,-1.9 3,-0.4 1,-0.2 -2,-0.2 0.933 111.5 48.9 -68.6 -45.4 -3.9 22.2 -36.6 111 115 A E H <5S+ 0 0 124 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.867 122.1 33.0 -59.4 -38.9 -7.6 22.7 -37.1 112 116 A M H <5S- 0 0 53 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.422 106.6-116.5-105.7 -1.2 -7.6 26.1 -35.3 113 117 A G T <5S+ 0 0 63 -4,-1.2 -3,-0.2 -3,-0.4 2,-0.2 0.922 70.5 129.4 64.9 45.1 -4.2 27.4 -36.2 114 118 A R < - 0 0 68 -5,-2.2 2,-0.4 -6,-0.2 -24,-0.2 -0.597 53.4-103.1-120.3-176.5 -2.9 27.4 -32.6 115 119 A E E -e 90 0A 82 -26,-2.0 -24,-1.8 -2,-0.2 2,-0.4 -0.866 15.5-153.7-119.9 147.2 0.1 26.1 -30.8 116 120 A V E -e 91 0A 6 -2,-0.4 33,-0.6 -26,-0.2 2,-0.5 -0.955 6.2-160.8-116.7 130.6 1.0 23.2 -28.6 117 121 A F E -ef 92 149A 0 -26,-3.0 -24,-3.1 -2,-0.4 2,-0.6 -0.957 13.2-143.6-106.4 127.1 3.8 23.2 -26.0 118 122 A L E -ef 93 150A 0 31,-2.6 33,-2.5 -2,-0.5 2,-0.7 -0.812 8.2-142.7 -91.6 123.1 5.0 19.8 -24.8 119 123 A L E +ef 94 151A 10 -26,-2.9 -24,-1.0 -2,-0.6 -23,-0.2 -0.767 23.5 175.5 -84.7 113.9 6.0 19.7 -21.1 120 124 A T - 0 0 2 31,-2.4 2,-0.3 -2,-0.7 18,-0.2 0.789 59.3 -0.3 -91.6 -29.4 9.0 17.4 -20.9 121 125 A E - 0 0 3 30,-0.7 -1,-0.3 17,-0.1 2,-0.3 -0.989 53.8-147.3-160.5 149.6 10.0 17.7 -17.3 122 126 A M - 0 0 13 -2,-0.3 13,-0.1 -3,-0.1 10,-0.0 -0.848 8.9-150.2-120.9 164.2 9.1 19.3 -14.0 123 127 A S + 0 0 49 -2,-0.3 5,-0.1 29,-0.1 -1,-0.0 0.373 53.3 116.6-120.3 -0.5 11.5 20.4 -11.2 124 128 A H S > S- 0 0 14 1,-0.1 3,-2.3 2,-0.0 4,-0.3 -0.354 81.4 -98.1 -72.4 157.0 9.5 20.1 -8.0 125 129 A P T > S+ 0 0 108 0, 0.0 3,-1.7 0, 0.0 4,-0.2 0.853 119.3 53.0 -47.3 -52.9 10.9 17.6 -5.5 126 130 A G T >> S+ 0 0 9 1,-0.3 3,-1.6 2,-0.1 4,-0.5 0.544 84.7 87.2 -64.0 -8.1 8.5 14.7 -6.3 127 131 A A H <>>S+ 0 0 4 -3,-2.3 5,-2.3 1,-0.3 4,-0.6 0.757 74.8 71.3 -60.3 -24.0 9.3 14.9 -10.0 128 132 A E H <45S+ 0 0 151 -3,-1.7 -1,-0.3 -4,-0.3 5,-0.2 0.738 86.0 67.9 -66.1 -21.4 12.2 12.5 -9.3 129 133 A M H <45S- 0 0 70 -3,-1.6 -1,-0.2 -4,-0.2 -2,-0.2 0.940 129.5 -22.9 -67.5 -47.3 9.8 9.6 -8.8 130 134 A F H X5S+ 0 0 17 -4,-0.5 4,-0.7 180,-0.4 -2,-0.1 0.643 126.9 60.8-134.1 -38.0 8.5 9.3 -12.3 131 135 A I H >X5S+ 0 0 5 -4,-0.6 4,-1.1 179,-0.5 3,-1.0 0.924 99.2 53.7 -71.4 -47.0 8.9 12.4 -14.5 132 136 A Q H >4 S+ 0 0 32 -4,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.924 115.9 47.2 -64.4 -40.8 14.3 12.4 -22.4 137 141 A E H > S+ 0 0 101 -4,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.879 110.6 52.2 -68.7 -38.3 11.9 9.8 -23.9 138 142 A I H X S+ 0 0 4 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.914 110.2 49.2 -63.0 -39.2 9.1 12.3 -23.7 139 143 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.933 111.5 48.2 -64.2 -45.3 11.2 14.9 -25.5 140 144 A R H X S+ 0 0 110 -4,-2.5 4,-3.3 2,-0.2 5,-0.2 0.896 108.9 54.3 -61.6 -40.1 12.1 12.3 -28.2 141 145 A M H X S+ 0 0 13 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.919 109.0 49.0 -58.5 -44.6 8.4 11.4 -28.5 142 146 A G H <>S+ 0 0 0 -4,-2.2 5,-2.5 2,-0.2 -2,-0.2 0.928 113.4 46.2 -59.8 -45.4 7.7 15.1 -29.1 143 147 A V H ><5S+ 0 0 51 -4,-2.4 3,-2.7 1,-0.2 -2,-0.2 0.937 106.8 55.9 -64.5 -47.7 10.4 15.4 -31.7 144 148 A D H 3<5S+ 0 0 135 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.840 111.5 47.7 -56.3 -28.5 9.4 12.2 -33.5 145 149 A L T 3<5S- 0 0 50 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.273 117.3-111.8 -94.1 8.0 6.0 13.9 -33.8 146 150 A G T < 5 + 0 0 50 -3,-2.7 -3,-0.2 1,-0.2 -2,-0.1 0.652 53.5 167.1 72.0 13.2 7.2 17.2 -35.0 147 151 A V < - 0 0 5 -5,-2.5 -1,-0.2 -6,-0.2 -30,-0.1 -0.421 14.5-171.9 -54.0 134.9 6.3 19.1 -31.9 148 152 A K + 0 0 75 -32,-0.3 24,-3.6 1,-0.1 2,-0.4 0.622 59.7 63.3-108.0 -17.4 8.0 22.5 -32.2 149 153 A N E +fg 117 172A 3 -33,-0.6 -31,-2.6 22,-0.2 2,-0.3 -0.933 60.7 177.1-119.4 133.7 7.4 24.0 -28.8 150 154 A Y E -fg 118 173A 0 22,-2.5 24,-2.6 -2,-0.4 2,-0.4 -0.934 21.4-149.3-136.2 152.1 8.7 22.7 -25.5 151 155 A V E +fg 119 174A 13 -33,-2.5 -31,-2.4 -2,-0.3 -30,-0.7 -0.996 24.7 172.2-120.8 127.6 8.7 23.5 -21.8 152 156 A G - 0 0 1 22,-2.4 -30,-0.1 -2,-0.4 -29,-0.1 -0.932 33.2-100.2-132.4 161.0 11.6 22.4 -19.6 153 157 A P - 0 0 6 0, 0.0 -31,-0.1 0, 0.0 7,-0.0 -0.243 17.1-160.1 -73.4 163.3 12.7 23.1 -16.0 154 158 A S S S+ 0 0 23 5,-0.1 27,-0.1 6,-0.0 28,-0.1 0.201 73.6 89.6-128.4 15.4 15.4 25.6 -15.2 155 159 A T S S+ 0 0 87 1,-0.3 -1,-0.0 2,-0.1 22,-0.0 0.676 98.2 41.0 -78.7 -18.8 16.4 24.4 -11.7 156 160 A R >> - 0 0 74 1,-0.1 3,-1.3 2,-0.0 4,-1.1 -0.806 69.4-174.0-129.2 93.3 18.9 22.2 -13.5 157 161 A P H >> S+ 0 0 41 0, 0.0 4,-1.6 0, 0.0 3,-0.8 0.870 85.5 59.0 -46.6 -47.3 20.6 24.1 -16.4 158 162 A E H 3> S+ 0 0 109 1,-0.3 4,-1.7 2,-0.2 5,-0.1 0.786 100.2 57.1 -62.3 -26.9 22.4 21.0 -17.6 159 163 A R H <> S+ 0 0 34 -3,-1.3 4,-2.9 2,-0.2 -1,-0.3 0.871 103.0 55.5 -66.3 -37.0 19.0 19.3 -18.1 160 164 A L H 0 0 52 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -22.4 17.5 33.6 -16.4 180 190 A G T 4 + 0 0 59 1,-0.2 4,-0.1 2,-0.2 -3,-0.0 0.919 360.0 30.7 -58.2 -50.3 21.1 34.2 -17.4 181 191 A E T >> S+ 0 0 111 1,-0.2 3,-0.9 2,-0.2 4,-0.5 0.760 114.7 64.6 -79.4 -26.1 22.0 30.6 -17.7 182 192 A T H >> S+ 0 0 11 1,-0.2 4,-3.3 2,-0.2 3,-1.4 0.922 98.2 53.7 -59.8 -43.2 18.4 29.7 -18.7 183 193 A L H 3< S+ 0 0 18 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.468 89.4 74.6 -80.0 -1.1 18.7 31.7 -21.9 184 194 A R H <4 S+ 0 0 168 -3,-0.9 -1,-0.3 -4,-0.1 -2,-0.2 0.828 121.5 13.1 -67.9 -30.8 21.8 29.9 -23.1 185 195 A F H << S+ 0 0 38 -3,-1.4 -2,-0.2 -4,-0.5 2,-0.2 0.783 119.8 66.3-114.3 -45.8 19.4 27.1 -23.8 186 196 A A < - 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