==== 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 10-MAR-10 3M47 . 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 . 419 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17104.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 314 74.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 69 16.5 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 . 26 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 152 36.3 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 2 0 0 2 0 2 2 4 0 2 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 5 7 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 0 136 0, 0.0 3,-1.3 0, 0.0 169,-0.0 0.000 360.0 360.0 360.0 128.3 13.7 31.9 -35.1 2 6 A V T 3 + 0 0 149 1,-0.2 4,-0.1 4,-0.0 0, 0.0 0.823 360.0 56.0 -61.4 -35.1 11.1 33.3 -37.5 3 7 A D T 3 S+ 0 0 96 2,-0.1 2,-0.3 167,-0.0 -1,-0.2 0.418 101.4 63.2 -86.3 1.2 8.7 30.3 -37.4 4 8 A V S < S- 0 0 13 -3,-1.3 145,-0.0 1,-0.1 167,-0.0 -0.850 99.7 -72.6-121.9 162.7 8.2 30.3 -33.6 5 9 A M - 0 0 24 -2,-0.3 2,-0.6 1,-0.1 -1,-0.1 -0.129 36.1-133.4 -58.8 141.5 6.7 33.0 -31.4 6 10 A D - 0 0 119 -4,-0.1 2,-0.6 3,-0.0 -1,-0.1 -0.863 19.7-161.6 -92.0 119.5 8.4 36.3 -30.6 7 11 A V > - 0 0 16 -2,-0.6 3,-2.1 178,-0.1 5,-0.1 -0.922 25.9-114.9-103.8 120.7 8.2 37.0 -26.9 8 12 A M G > S- 0 0 57 -2,-0.6 3,-1.5 1,-0.3 27,-0.4 -0.281 93.5 -8.3 -59.3 130.3 8.9 40.6 -26.1 9 13 A N G 3 S- 0 0 68 1,-0.3 -1,-0.3 25,-0.1 3,-0.1 0.603 109.6 -90.0 58.6 12.9 12.1 41.1 -24.0 10 14 A R G < S+ 0 0 135 -3,-2.1 177,-2.6 1,-0.2 2,-0.5 0.767 96.2 123.2 58.6 29.4 12.4 37.3 -23.6 11 15 A L E < -a 187 0A 0 -3,-1.5 2,-0.5 175,-0.2 25,-0.5 -0.967 44.3-166.2-130.8 116.5 10.3 37.5 -20.5 12 16 A I E -a 188 0A 0 175,-3.2 177,-2.9 -2,-0.5 2,-0.6 -0.883 19.0-136.1-102.7 127.0 7.0 35.8 -19.8 13 17 A L E -ab 189 37A 0 23,-2.1 25,-3.1 -2,-0.5 2,-1.2 -0.710 6.7-150.3 -82.5 120.0 4.9 36.9 -16.9 14 18 A A E - b 0 38A 5 175,-2.8 2,-1.5 -2,-0.6 180,-0.2 -0.786 13.8-164.3 -85.7 97.2 3.5 34.0 -14.8 15 19 A M + 0 0 0 23,-2.1 25,-0.5 -2,-1.2 28,-0.1 -0.649 24.5 158.1 -89.9 86.6 0.4 35.7 -13.6 16 20 A D + 0 0 45 -2,-1.5 -1,-0.2 23,-0.1 2,-0.1 0.346 25.4 122.7 -98.6 4.6 -0.5 33.4 -10.8 17 21 A L - 0 0 30 1,-0.1 26,-0.1 -3,-0.1 -2,-0.0 -0.393 53.0-147.9 -63.5 146.2 -2.7 35.7 -8.8 18 22 A M + 0 0 54 -2,-0.1 2,-0.4 24,-0.1 -1,-0.1 0.518 69.6 74.8-103.5 -9.4 -6.2 34.3 -8.3 19 23 A N S > S- 0 0 54 1,-0.1 4,-2.5 27,-0.0 5,-0.2 -0.910 73.6-135.5-110.2 140.8 -8.4 37.3 -8.2 20 24 A R H > S+ 0 0 74 -2,-0.4 4,-2.8 1,-0.2 5,-0.3 0.867 100.5 53.8 -59.2 -44.5 -9.3 39.3 -11.3 21 25 A D H > S+ 0 0 101 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.940 113.8 41.0 -56.6 -52.5 -8.7 42.7 -9.9 22 26 A D H > S+ 0 0 51 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.911 115.2 51.5 -62.9 -43.9 -5.2 42.0 -8.6 23 27 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.938 114.8 41.5 -61.6 -48.2 -4.3 40.1 -11.7 24 28 A L H X S+ 0 0 12 -4,-2.8 4,-2.3 -5,-0.2 5,-0.2 0.895 113.8 53.7 -65.5 -41.3 -5.4 42.8 -14.1 25 29 A R H X S+ 0 0 128 -4,-2.5 4,-1.2 -5,-0.3 -2,-0.2 0.969 113.5 41.3 -57.5 -55.9 -3.9 45.6 -11.9 26 30 A V H < S+ 0 0 9 -4,-2.7 -1,-0.2 1,-0.2 4,-0.2 0.885 116.1 50.1 -59.3 -41.9 -0.4 44.0 -11.8 27 31 A T H >X S+ 0 0 2 -4,-2.1 3,-2.0 -5,-0.3 4,-0.6 0.907 103.9 55.1 -68.4 -45.8 -0.5 43.0 -15.5 28 32 A G H >< S+ 0 0 32 -4,-2.3 3,-1.1 1,-0.3 4,-0.3 0.890 103.0 59.6 -53.6 -39.5 -1.5 46.3 -17.0 29 33 A E T 3< S+ 0 0 94 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.544 110.4 39.8 -69.6 -7.9 1.4 48.0 -15.3 30 34 A V T X> S+ 0 0 1 -3,-2.0 3,-2.4 -4,-0.2 4,-2.1 0.393 78.7 104.9-120.9 2.1 4.0 45.8 -17.0 31 35 A R T << S+ 0 0 71 -3,-1.1 -2,-0.1 -4,-0.6 -3,-0.1 0.720 76.6 62.3 -61.1 -21.9 2.6 45.6 -20.6 32 36 A E T 34 S+ 0 0 149 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.758 115.8 32.0 -69.4 -24.1 5.3 48.0 -21.7 33 37 A Y T <4 S+ 0 0 57 -3,-2.4 2,-0.4 1,-0.2 -2,-0.2 0.661 123.5 41.8-106.4 -25.1 7.8 45.4 -20.7 34 38 A I < + 0 0 2 -4,-2.1 -1,-0.2 -7,-0.2 -25,-0.1 -0.964 42.0 173.4-129.4 140.1 6.0 42.2 -21.4 35 39 A D S S+ 0 0 35 -24,-0.4 27,-3.1 -2,-0.4 2,-0.4 0.356 70.5 66.9-120.8 3.2 3.7 41.0 -24.2 36 40 A T E - c 0 62A 0 -25,-0.5 -23,-2.1 25,-0.2 2,-0.4 -0.986 59.4-176.2-130.5 124.0 3.3 37.4 -23.2 37 41 A V E -bc 13 63A 2 25,-2.8 27,-2.5 -2,-0.4 2,-0.5 -0.971 14.2-150.5-125.8 132.9 1.4 36.3 -20.1 38 42 A K E -bc 14 64A 16 -25,-3.1 -23,-2.1 -2,-0.4 2,-0.4 -0.881 18.8-177.3 -99.2 126.2 1.0 32.7 -18.7 39 43 A I E - c 0 65A 1 25,-2.3 27,-3.2 -2,-0.5 2,-0.2 -0.948 4.3-163.2-124.1 149.8 -2.2 32.1 -16.8 40 44 A G E > - c 0 66A 7 -25,-0.5 4,-1.8 -2,-0.4 3,-0.3 -0.532 37.6 -80.7-121.5-172.9 -3.2 28.9 -15.0 41 45 A Y H > S+ 0 0 10 25,-0.6 4,-3.2 1,-0.2 5,-0.5 0.823 113.4 66.0 -63.2 -37.1 -6.3 27.2 -13.6 42 46 A P H > S+ 0 0 10 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.946 110.6 38.1 -55.0 -43.9 -6.5 28.9 -10.2 43 47 A L H > S+ 0 0 2 -3,-0.3 4,-2.8 2,-0.2 5,-0.4 0.950 120.1 44.2 -68.2 -50.3 -7.3 32.2 -11.9 44 48 A V H X S+ 0 0 3 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.875 115.1 48.1 -68.4 -35.1 -9.5 30.9 -14.7 45 49 A L H < S+ 0 0 12 -4,-3.2 215,-0.3 -5,-0.2 -1,-0.2 0.867 117.4 43.3 -69.7 -32.7 -11.4 28.6 -12.4 46 50 A S H < S+ 0 0 53 -4,-1.5 -2,-0.2 -5,-0.5 -1,-0.2 0.857 131.1 20.7 -77.8 -37.6 -11.9 31.4 -9.9 47 51 A E H < S- 0 0 81 -4,-2.8 -3,-0.2 1,-0.2 -2,-0.2 0.555 111.1-101.5-113.3 -12.3 -12.8 34.1 -12.4 48 52 A G >< - 0 0 24 -4,-2.2 3,-1.6 -5,-0.4 4,-0.2 -0.014 30.5 -88.8 101.8 149.1 -14.0 32.4 -15.5 49 53 A M T >> S+ 0 0 16 207,-0.3 3,-1.8 1,-0.3 4,-0.6 0.664 113.9 80.9 -67.5 -15.0 -12.4 31.7 -18.9 50 54 A D H 3> S+ 0 0 139 1,-0.3 4,-1.5 2,-0.2 -1,-0.3 0.709 74.6 76.7 -63.0 -17.6 -13.6 35.1 -20.1 51 55 A I H <> S+ 0 0 3 -3,-1.6 4,-2.2 1,-0.2 -1,-0.3 0.785 84.2 64.2 -65.3 -23.4 -10.6 36.5 -18.3 52 56 A I H <> S+ 0 0 0 -3,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.971 103.9 43.6 -63.3 -52.1 -8.4 35.3 -21.2 53 57 A A H X S+ 0 0 24 -4,-0.6 4,-2.3 33,-0.3 5,-0.2 0.828 110.6 59.1 -61.7 -31.0 -10.1 37.5 -23.8 54 58 A E H X S+ 0 0 32 -4,-1.5 4,-2.8 2,-0.2 5,-0.3 0.923 104.8 47.9 -65.1 -44.2 -9.9 40.3 -21.2 55 59 A F H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 6,-0.7 0.943 112.6 49.0 -58.4 -49.0 -6.1 40.1 -20.9 56 60 A R H X S+ 0 0 94 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.893 116.5 41.6 -62.8 -40.2 -5.7 40.2 -24.7 57 61 A K H < S+ 0 0 174 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.912 118.4 43.7 -72.8 -43.9 -8.0 43.2 -25.2 58 62 A R H < S+ 0 0 143 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.824 134.1 16.1 -74.1 -28.2 -6.8 45.2 -22.2 59 63 A F H < S- 0 0 28 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.2 0.539 90.2-127.1-122.1 -11.0 -3.1 44.6 -22.8 60 64 A G < + 0 0 48 -4,-1.5 -4,-0.2 -5,-0.5 2,-0.2 0.767 59.8 151.1 63.6 27.3 -2.7 43.3 -26.3 61 65 A C - 0 0 4 -6,-0.7 2,-0.3 1,-0.1 -25,-0.2 -0.528 51.8-114.1 -93.6 156.7 -0.8 40.4 -24.9 62 66 A R E -c 36 0A 52 -27,-3.1 -25,-2.8 -2,-0.2 2,-0.5 -0.630 32.8-143.7 -75.4 142.0 -0.3 36.8 -26.0 63 67 A I E -c 37 0A 0 -2,-0.3 26,-1.7 24,-0.3 27,-1.6 -0.964 12.8-166.3-117.2 123.3 -1.8 34.3 -23.6 64 68 A I E -cd 38 90A 0 -27,-2.5 -25,-2.3 -2,-0.5 2,-0.8 -0.952 17.3-143.8-102.1 119.9 -0.3 30.9 -22.8 65 69 A A E -cd 39 91A 0 25,-3.1 27,-2.4 -2,-0.6 2,-1.9 -0.749 6.1-158.5 -85.9 107.3 -2.8 28.7 -20.9 66 70 A D E +c 40 0A 15 -27,-3.2 -25,-0.6 -2,-0.8 25,-0.1 -0.569 42.1 138.8 -87.4 75.9 -0.8 26.7 -18.4 67 71 A F E - 0 0 6 -2,-1.9 -1,-0.2 25,-0.4 3,-0.2 0.442 53.5-141.7-103.7 -2.1 -3.4 24.0 -18.1 68 72 A K E - 0 0 21 -3,-0.2 25,-0.3 24,-0.2 -2,-0.1 0.887 23.7-145.5 39.4 56.7 -1.0 21.0 -18.0 69 73 A V E + d 0 93A 3 23,-1.8 25,-2.4 1,-0.1 -1,-0.2 -0.248 34.1 161.3 -60.5 129.6 -3.5 19.0 -20.1 70 74 A A + 0 0 6 -3,-0.2 2,-0.2 23,-0.1 -1,-0.1 -0.214 28.8 105.8-151.5 45.8 -3.3 15.4 -19.1 71 75 A D S S- 0 0 12 1,-0.2 262,-0.0 30,-0.1 207,-0.0 -0.490 75.3 -66.8-117.4-173.4 -6.3 13.4 -20.2 72 76 A I > - 0 0 57 -2,-0.2 4,-2.8 1,-0.1 3,-0.3 -0.315 59.7 -97.9 -69.8 162.1 -7.3 10.8 -22.8 73 77 A P H > S+ 0 0 27 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.891 120.1 49.8 -53.4 -47.4 -7.1 12.0 -26.4 74 78 A E H > S+ 0 0 72 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.890 115.0 44.2 -63.7 -37.8 -10.8 12.8 -26.9 75 79 A T H > S+ 0 0 28 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.901 110.1 55.3 -73.0 -38.7 -11.0 14.8 -23.7 76 80 A N H X S+ 0 0 1 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.906 105.1 54.2 -57.2 -42.4 -7.7 16.6 -24.5 77 81 A E H X S+ 0 0 69 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.916 110.3 46.2 -55.1 -46.4 -9.2 17.7 -27.8 78 82 A K H X S+ 0 0 55 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.877 111.1 50.9 -69.6 -38.0 -12.2 19.2 -26.1 79 83 A I H X S+ 0 0 5 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.936 113.5 46.0 -62.6 -46.8 -10.1 21.0 -23.4 80 84 A C H X S+ 0 0 0 -4,-2.7 4,-2.8 -5,-0.2 5,-0.3 0.922 111.9 51.0 -63.1 -42.8 -7.9 22.5 -26.2 81 85 A R H X S+ 0 0 68 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.935 112.0 46.3 -63.1 -44.3 -10.8 23.5 -28.3 82 86 A A H X S+ 0 0 11 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.891 114.1 49.2 -63.6 -38.3 -12.6 25.3 -25.4 83 87 A T H <>S+ 0 0 0 -4,-2.2 5,-2.0 2,-0.2 -2,-0.2 0.897 113.6 44.0 -71.2 -41.6 -9.3 27.0 -24.4 84 88 A F H ><5S+ 0 0 0 -4,-2.8 3,-1.8 3,-0.2 -2,-0.2 0.880 109.6 56.8 -68.5 -37.8 -8.5 28.2 -27.9 85 89 A K H 3<5S+ 0 0 149 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.887 102.1 57.0 -60.8 -35.9 -12.1 29.3 -28.4 86 90 A A T 3<5S- 0 0 24 -4,-1.6 -33,-0.3 -5,-0.2 -1,-0.3 0.517 130.1 -98.4 -72.4 -4.2 -11.7 31.5 -25.3 87 91 A G T < 5 + 0 0 15 -3,-1.8 -24,-0.3 1,-0.3 -3,-0.2 0.388 66.3 155.8 108.5 -2.6 -8.8 33.1 -27.1 88 92 A A < - 0 0 0 -5,-2.0 -1,-0.3 1,-0.2 -24,-0.1 -0.329 32.9-154.5 -60.5 138.0 -5.6 31.4 -25.7 89 93 A D S S+ 0 0 35 -26,-1.7 26,-1.8 1,-0.2 2,-0.3 0.781 76.4 4.9 -79.5 -28.9 -2.7 31.7 -28.1 90 94 A A E -de 64 115A 0 -27,-1.6 -25,-3.1 24,-0.2 2,-0.3 -0.975 61.5-148.8-153.0 162.0 -1.1 28.5 -26.7 91 95 A I E -de 65 116A 0 24,-1.9 26,-3.0 -2,-0.3 2,-0.5 -0.991 16.9-131.5-138.7 140.8 -1.7 25.7 -24.3 92 96 A I E - e 0 117A 2 -27,-2.4 -23,-1.8 -2,-0.3 -25,-0.4 -0.847 28.6-170.3 -97.2 129.7 0.8 23.7 -22.1 93 97 A V E -de 69 118A 0 24,-2.8 26,-3.0 -2,-0.5 2,-0.2 -0.941 20.8-121.3-124.3 138.7 0.3 19.9 -22.3 94 98 A H E - e 0 119A 6 -25,-2.4 26,-0.1 -2,-0.4 -23,-0.1 -0.504 11.6-159.3 -72.5 146.4 1.8 17.0 -20.3 95 99 A G S > S+ 0 0 0 24,-1.0 3,-2.5 -2,-0.2 7,-0.2 0.642 74.4 85.9 -95.7 -17.1 3.7 14.3 -22.2 96 100 A F T 3 S+ 0 0 3 1,-0.3 246,-0.5 23,-0.2 245,-0.4 0.829 80.2 63.3 -61.5 -28.9 3.4 11.6 -19.6 97 101 A P T 3 S- 0 0 0 0, 0.0 -1,-0.3 0, 0.0 4,-0.3 0.544 112.5-116.1 -72.9 1.0 0.0 10.4 -20.9 98 102 A G <> - 0 0 0 -3,-2.5 4,-1.7 1,-0.2 5,-0.2 -0.242 32.4 -52.4 100.5 177.2 1.7 9.5 -24.2 99 103 A A H > S+ 0 0 20 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.858 123.4 52.2 -69.0 -40.7 1.8 10.3 -27.9 100 104 A D H > S+ 0 0 31 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.880 109.0 52.3 -68.2 -32.7 -1.9 10.0 -28.8 101 105 A S H > S+ 0 0 0 -4,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.893 113.0 44.5 -68.4 -37.9 -2.8 12.4 -26.0 102 106 A V H >X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 3,-0.6 0.922 110.6 54.4 -69.3 -42.4 -0.3 14.9 -27.2 103 107 A R H 3X S+ 0 0 114 -4,-2.9 4,-2.8 1,-0.3 -2,-0.2 0.874 99.8 60.9 -60.3 -37.1 -1.3 14.5 -30.8 104 108 A A H 3X S+ 0 0 3 -4,-2.0 4,-1.5 1,-0.2 -1,-0.3 0.883 107.9 45.3 -55.0 -39.6 -5.0 15.2 -30.0 105 109 A C H S+ 0 0 5 -4,-2.5 5,-2.6 2,-0.2 4,-1.1 0.910 110.0 47.0 -58.4 -43.1 -3.9 23.6 -32.5 110 114 A E H <5S+ 0 0 167 -4,-2.5 3,-0.5 3,-0.2 -2,-0.2 0.936 112.5 50.1 -66.3 -43.9 -3.3 23.1 -36.2 111 115 A E H <5S+ 0 0 127 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.897 119.7 36.2 -55.2 -44.5 -7.0 23.4 -37.0 112 116 A M H <5S- 0 0 46 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.475 110.3-114.3 -98.1 0.0 -7.4 26.6 -35.0 113 117 A G T <5S+ 0 0 64 -4,-1.1 -3,-0.2 -3,-0.5 2,-0.2 0.845 74.7 121.8 71.6 36.7 -4.0 28.2 -35.8 114 118 A R < - 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0 0 0 -5,-2.0 -1,-0.3 1,-0.2 -24,-0.1 -0.337 32.3-153.6 -59.8 137.2 -17.2 19.9 -5.6 300 93 B D S S+ 0 0 35 -26,-1.7 26,-1.8 1,-0.2 2,-0.3 0.788 76.6 3.7 -78.2 -28.8 -17.5 16.9 -3.2 301 94 B A E -lm 275 326B 0 -27,-1.6 -25,-3.0 24,-0.2 2,-0.3 -0.976 61.8-148.1-153.8 162.4 -14.3 15.3 -4.6 302 95 B I E -lm 276 327B 0 24,-1.9 26,-3.1 -2,-0.3 2,-0.5 -0.991 17.0-131.0-139.5 142.3 -11.5 15.9 -7.1 303 96 B I E - m 0 328B 2 -27,-2.4 -23,-1.8 -2,-0.3 2,-0.4 -0.853 28.5-169.7 -98.9 131.6 -9.5 13.4 -9.2 304 97 B V E -lm 280 329B 0 24,-2.9 26,-2.6 -2,-0.5 -23,-0.1 -0.962 20.4-122.2-129.1 130.6 -5.7 13.9 -9.0 305 98 B H E - m 0 330B 8 -25,-2.0 26,-0.1 -2,-0.4 -23,-0.1 -0.421 10.9-159.5 -67.2 145.6 -2.8 12.4 -11.1 306 99 B G S > S+ 0 0 0 24,-1.0 3,-2.5 1,-0.1 7,-0.2 0.636 74.2 87.1 -94.1 -17.2 -0.1 10.6 -9.2 307 100 B F T 3 S+ 0 0 7 1,-0.3 -176,-0.5 23,-0.2 -177,-0.4 0.819 80.7 62.0 -57.6 -34.7 2.6 10.8 -11.8 308 101 B P T 3 S- 0 0 0 0, 0.0 4,-0.3 0, 0.0 -1,-0.3 0.529 112.7-117.7 -72.9 0.8 3.8 14.2 -10.5 309 102 B G <> - 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0 0 4 -5,-2.8 -1,-0.2 -6,-0.2 -30,-0.1 -0.444 13.6-175.4 -61.8 136.2 -5.5 7.9 0.2 359 152 B K + 0 0 68 -32,-0.4 24,-3.2 1,-0.1 2,-0.4 0.452 61.2 60.9-113.9 -6.1 -8.9 6.3 0.5 360 153 B N E + o 0 383B 0 -33,-0.5 -31,-2.7 22,-0.2 2,-0.3 -0.992 60.6 179.0-132.0 130.6 -10.3 6.9 -3.0 361 154 B Y E -no 329 384B 1 22,-2.9 24,-2.4 -2,-0.4 2,-0.5 -0.944 22.0-148.8-131.9 146.4 -8.9 5.6 -6.3 362 155 B V E -no 330 385B 12 -33,-2.7 -31,-2.2 -2,-0.3 -30,-0.6 -0.984 28.3-165.9-112.5 124.4 -9.8 5.7 -10.0 363 156 B G - 0 0 4 22,-2.6 -29,-0.1 -2,-0.5 8,-0.1 -0.385 29.5 -63.6-104.4-177.2 -8.6 2.6 -11.9 364 157 B P - 0 0 4 0, 0.0 -1,-0.2 0, 0.0 -31,-0.1 -0.351 36.2-132.1 -70.9 142.3 -8.2 1.5 -15.5 365 158 B S S S+ 0 0 44 21,-0.1 2,-0.1 -2,-0.1 -2,-0.1 0.948 86.3 26.2 -54.8 -52.8 -11.2 1.3 -17.8 366 159 B T S S+ 0 0 90 1,-0.1 4,-0.1 20,-0.0 5,-0.0 -0.394 83.6 68.4-110.7-176.5 -10.3 -2.1 -19.1 367 160 B R >> - 0 0 89 -2,-0.1 3,-1.6 3,-0.1 4,-1.1 0.977 52.7-150.2 66.1 88.0 -8.4 -5.3 -18.1 368 161 B P H >> S+ 0 0 61 0, 0.0 4,-1.5 0, 0.0 3,-0.6 0.865 96.9 58.9 -45.4 -45.6 -10.3 -7.1 -15.3 369 162 B E H 3> S+ 0 0 119 1,-0.3 4,-1.3 2,-0.2 -2,-0.1 0.673 97.9 59.7 -67.2 -18.9 -7.0 -8.4 -13.9 370 163 B R H <> S+ 0 0 31 -3,-1.6 4,-2.5 2,-0.2 -1,-0.3 0.862 103.5 51.5 -72.5 -37.2 -5.7 -4.9 -13.5 371 164 B L H + 0 0 109 1,-0.2 3,-1.5 2,-0.1 4,-0.4 0.805 360.0 67.7 -67.7 -30.3 -16.8 -8.5 -13.4 391 192 B T G >> S+ 0 0 32 1,-0.3 4,-3.1 2,-0.2 3,-1.8 0.879 90.9 57.5 -59.4 -41.4 -15.8 -5.0 -12.7 392 193 B L G 34 S+ 0 0 36 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.443 89.5 74.3 -77.4 1.5 -18.0 -4.7 -9.5 393 194 B R G <4 S+ 0 0 165 -3,-1.5 -1,-0.3 -4,-0.1 -2,-0.2 0.729 119.2 14.7 -75.1 -22.2 -16.2 -7.6 -8.0 394 195 B F T <4 S+ 0 0 33 -3,-1.8 -2,-0.2 -4,-0.4 2,-0.2 0.721 120.5 64.1-120.3 -42.5 -13.3 -5.3 -7.5 395 196 B A < - 0 0 2 -4,-3.1 -10,-0.2 1,-0.1 3,-0.1 -0.585 66.8-143.7 -87.3 151.9 -14.6 -1.7 -7.9 396 197 B D S S+ 0 0 25 -12,-3.0 2,-0.3 1,-0.3 -11,-0.2 0.729 84.2 9.1 -85.7 -25.7 -17.2 -0.2 -5.6 397 198 B A E S- p 0 385B 0 -13,-1.2 -11,-1.6 -6,-0.1 2,-0.4 -0.986 70.2-132.6-151.0 153.9 -18.9 1.8 -8.4 398 199 B I E -ip 222 386B 24 -177,-2.6 -175,-3.1 -2,-0.3 2,-0.5 -0.870 15.4-133.9-110.1 146.8 -18.7 2.0 -12.2 399 200 B I E -i 223 0B 21 -13,-3.0 2,-0.4 -2,-0.4 -175,-0.2 -0.856 25.0-179.6 -99.7 126.6 -18.5 5.1 -14.4 400 201 B V E +i 224 0B 25 -177,-2.8 -175,-2.6 -2,-0.5 -2,-0.0 -0.995 13.8 148.8-130.7 131.5 -20.9 5.2 -17.3 401 202 B G >> + 0 0 13 -2,-0.4 4,-2.5 -177,-0.2 3,-2.1 0.538 65.3 29.6-120.9 -90.5 -21.1 8.1 -19.8 402 203 B R H 3> S+ 0 0 123 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.821 110.1 65.7 -50.6 -45.1 -21.9 7.8 -23.5 403 204 B S H 34 S+ 0 0 96 1,-0.2 -1,-0.3 2,-0.2 14,-0.0 0.802 118.9 26.0 -46.6 -33.2 -24.2 4.7 -23.1 404 205 B I H X4 S+ 0 0 1 -3,-2.1 3,-1.5 -179,-0.1 -2,-0.2 0.874 122.3 46.3-100.8 -51.8 -26.5 7.0 -21.1 405 206 B Y H 3< S+ 0 0 23 -4,-2.5 -3,-0.2 1,-0.3 -2,-0.2 0.666 117.4 43.9 -76.9 -14.1 -26.0 10.6 -22.2 406 207 B L T 3< S+ 0 0 111 -4,-2.3 -1,-0.3 -5,-0.3 2,-0.2 0.173 92.6 117.1-107.0 16.1 -26.1 9.8 -25.9 407 208 B A S < S- 0 0 30 -3,-1.5 4,-0.1 1,-0.1 -3,-0.1 -0.524 77.1-120.1 -84.9 151.0 -29.1 7.5 -25.5 408 209 B D S S+ 0 0 175 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 0.906 111.8 13.8 -53.5 -46.0 -32.5 8.1 -27.0 409 210 B N >> - 0 0 89 1,-0.1 4,-2.2 2,-0.0 3,-1.0 -0.807 68.8-170.9-133.6 96.5 -33.9 8.1 -23.5 410 211 B P H 3> S+ 0 0 4 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.801 85.9 65.4 -50.9 -34.3 -31.2 8.4 -20.8 411 212 B A H 3> S+ 0 0 30 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.907 109.7 35.8 -57.9 -44.9 -33.9 7.8 -18.2 412 213 B A H <> S+ 0 0 45 -3,-1.0 4,-2.5 2,-0.2 -1,-0.2 0.831 114.8 56.5 -77.8 -34.1 -34.4 4.2 -19.5 413 214 B A H X S+ 0 0 25 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.888 109.6 46.4 -65.0 -39.4 -30.7 3.8 -20.3 414 215 B A H X S+ 0 0 0 -4,-3.0 4,-2.0 -5,-0.2 -2,-0.2 0.948 112.2 50.4 -64.0 -49.7 -29.9 4.5 -16.7 415 216 B A H X S+ 0 0 18 -4,-1.7 4,-1.7 -5,-0.2 -2,-0.2 0.867 112.1 47.8 -58.1 -40.4 -32.6 2.2 -15.4 416 217 B G H X S+ 0 0 35 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.918 109.6 50.6 -68.0 -45.4 -31.4 -0.6 -17.7 417 218 B A H X S+ 0 0 29 -4,-2.1 4,-0.8 1,-0.2 -1,-0.2 0.843 111.1 51.7 -61.5 -32.9 -27.7 -0.2 -16.7 418 219 B I H < S+ 0 0 17 -4,-2.0 3,-0.3 2,-0.2 -1,-0.2 0.851 104.2 55.1 -72.4 -37.3 -28.9 -0.4 -13.1 419 220 B E H < S+ 0 0 133 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.928 102.9 56.9 -59.9 -44.4 -30.8 -3.6 -13.6 420 221 B S H < S+ 0 0 109 -4,-2.1 2,-2.7 1,-0.2 -1,-0.2 0.820 85.7 86.9 -54.8 -32.0 -27.7 -5.2 -15.0 421 222 B I < 0 0 34 -4,-0.8 -1,-0.2 -3,-0.3 -3,-0.0 -0.433 360.0 360.0 -72.6 73.4 -26.1 -4.2 -11.6 422 223 B K 0 0 230 -2,-2.7 -1,-0.1 0, 0.0 0, 0.0 0.278 360.0 360.0 57.0 360.0 -27.2 -7.5 -9.9