==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE/LYASE INHIBITOR 10-JUN-11 3SEC . COMPND 2 MOLECULE: OROTIDINE 5'-PHOSPHATE DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOTHERMOBACTER THERMAUTOTROPHICUS . AUTHOR Y.LIU,L.P.KOTRA,E.F.PAI . 214 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9719.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 75.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 17.8 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 . 1 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 . 9 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 38.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 1 0 0 1 2 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 5 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 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 1 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 11 A V > 0 0 66 0, 0.0 3,-2.6 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 148.3 36.3 33.0 52.8 2 12 A M G > - 0 0 61 1,-0.3 3,-1.6 2,-0.2 27,-0.3 -0.272 360.0 -8.1 -58.3 125.9 34.4 29.7 52.5 3 13 A N G 3 S- 0 0 57 1,-0.3 -1,-0.3 25,-0.1 3,-0.1 0.560 110.0 -89.0 66.3 9.6 36.5 27.1 50.9 4 14 A R G < S+ 0 0 104 -3,-2.6 185,-2.7 1,-0.2 2,-0.5 0.714 97.7 123.9 62.2 21.9 39.2 29.7 50.1 5 15 A L E < -a 189 0A 0 -3,-1.6 25,-0.5 22,-0.2 2,-0.5 -0.966 42.2-171.5-124.9 125.4 37.3 30.3 46.9 6 16 A I E -a 190 0A 0 183,-2.8 185,-2.7 -2,-0.5 2,-0.5 -0.931 21.1-135.5-114.4 126.6 35.9 33.6 45.6 7 17 A L E -ab 191 31A 0 23,-1.7 25,-3.2 -2,-0.5 2,-1.0 -0.723 7.2-147.7 -83.9 127.1 33.7 33.6 42.5 8 18 A A E - b 0 32A 5 183,-2.4 2,-1.4 -2,-0.5 188,-0.2 -0.817 14.5-159.1 -90.7 104.0 34.5 36.4 40.0 9 19 A M E + b 0 33A 0 23,-2.4 25,-0.6 -2,-1.0 28,-0.2 -0.646 31.9 150.2 -91.5 90.1 31.1 37.1 38.5 10 20 A D + 0 0 42 -2,-1.4 -1,-0.2 23,-0.1 2,-0.1 0.167 24.4 125.0-110.1 15.1 31.8 38.8 35.2 11 21 A L - 0 0 26 1,-0.1 186,-0.0 -3,-0.1 -2,-0.0 -0.433 56.1-141.9 -62.5 151.7 28.7 37.6 33.3 12 22 A M S S+ 0 0 112 -2,-0.1 2,-0.4 28,-0.1 -1,-0.1 0.259 72.3 71.2-113.2 11.7 27.0 40.7 31.9 13 23 A N S > S- 0 0 57 1,-0.1 4,-2.7 28,-0.0 5,-0.2 -0.998 72.5-136.0-129.8 140.6 23.4 39.9 32.3 14 24 A R H > S+ 0 0 85 -2,-0.4 4,-2.8 1,-0.2 5,-0.2 0.853 101.3 53.7 -59.0 -39.7 21.5 39.7 35.5 15 25 A D H > S+ 0 0 110 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.945 114.3 40.1 -64.8 -47.4 19.6 36.5 34.8 16 26 A D H > S+ 0 0 55 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.895 116.1 51.7 -66.3 -42.8 22.7 34.5 33.9 17 27 A A H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.912 112.1 45.9 -62.4 -43.0 24.7 36.1 36.7 18 28 A L H X S+ 0 0 9 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 0.900 112.8 51.2 -62.8 -42.4 22.0 35.2 39.3 19 29 A R H X S+ 0 0 118 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.954 113.4 42.4 -63.2 -52.6 21.6 31.7 38.0 20 30 A V H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.931 114.3 50.8 -63.4 -46.6 25.3 30.8 38.1 21 31 A T H X S+ 0 0 2 -4,-2.1 4,-0.9 -5,-0.3 3,-0.3 0.936 111.4 48.8 -58.2 -42.3 25.8 32.5 41.5 22 32 A G H < S+ 0 0 41 -4,-2.4 3,-0.5 1,-0.2 4,-0.3 0.883 108.8 54.3 -62.3 -36.9 22.8 30.5 43.0 23 33 A E H < S+ 0 0 79 -4,-2.1 3,-0.2 1,-0.2 -1,-0.2 0.823 117.7 34.4 -69.6 -31.0 24.2 27.3 41.5 24 34 A V H >X S+ 0 0 1 -4,-1.7 3,-2.3 -3,-0.3 4,-0.8 0.444 84.9 104.4-105.0 1.0 27.6 27.7 43.2 25 35 A R T 3< S+ 0 0 70 -4,-0.9 3,-0.3 -3,-0.5 -1,-0.2 0.759 72.8 63.5 -60.1 -26.1 26.5 29.4 46.5 26 36 A E T 34 S+ 0 0 138 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.732 111.1 39.1 -70.1 -16.9 27.0 26.2 48.5 27 37 A Y T <4 S+ 0 0 52 -3,-2.3 2,-0.3 1,-0.2 -22,-0.2 0.554 119.7 41.6-102.8 -13.8 30.7 26.3 47.7 28 38 A I < + 0 0 3 -4,-0.8 -1,-0.2 -3,-0.3 -22,-0.1 -0.987 42.7 177.2-147.3 124.3 31.4 30.0 47.9 29 39 A D S S+ 0 0 49 -2,-0.3 27,-2.6 -24,-0.3 2,-0.4 0.270 72.9 66.6-112.7 9.6 30.3 32.8 50.3 30 40 A T E - c 0 56A 8 -25,-0.5 -23,-1.7 25,-0.2 2,-0.4 -0.997 61.5-170.7-130.6 127.8 32.3 35.7 48.7 31 41 A V E -bc 7 57A 2 25,-2.5 27,-2.2 -2,-0.4 2,-0.6 -0.971 14.3-146.8-119.2 133.6 31.6 37.1 45.2 32 42 A K E -bc 8 58A 13 -25,-3.2 -23,-2.4 -2,-0.4 2,-0.5 -0.890 18.3-168.1 -96.8 119.2 33.8 39.5 43.4 33 43 A I E +bc 9 59A 0 25,-2.5 27,-2.7 -2,-0.6 2,-0.1 -0.948 9.9 179.2-112.8 132.8 31.6 41.8 41.2 34 44 A G E > - c 0 60A 2 -25,-0.6 4,-2.4 -2,-0.5 3,-0.4 -0.431 45.6 -78.8-120.7-173.8 33.3 44.1 38.6 35 45 A Y H > S+ 0 0 82 25,-0.7 4,-2.7 1,-0.2 5,-0.4 0.803 115.8 69.9 -65.9 -31.0 32.4 46.6 36.0 36 46 A P H > S+ 0 0 51 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.952 113.7 29.7 -51.4 -44.0 31.3 44.1 33.4 37 47 A L H > S+ 0 0 0 -3,-0.4 4,-2.4 -28,-0.2 5,-0.4 0.937 122.7 48.7 -81.3 -46.7 28.3 43.3 35.5 38 48 A V H X S+ 0 0 8 -4,-2.4 4,-2.2 1,-0.2 -3,-0.2 0.879 111.9 48.1 -61.2 -41.1 27.8 46.6 37.2 39 49 A L H < S+ 0 0 132 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.747 117.8 44.1 -74.3 -17.0 28.0 48.7 34.0 40 50 A S H < S+ 0 0 51 -4,-0.5 -2,-0.2 -5,-0.4 -1,-0.2 0.805 131.6 16.8 -91.4 -32.4 25.6 46.3 32.3 41 51 A E H < S- 0 0 81 -4,-2.4 -3,-0.2 1,-0.1 -2,-0.2 0.474 107.5-108.3-124.1 -10.3 23.0 46.0 35.1 42 52 A G >< - 0 0 30 -4,-2.2 3,-1.6 -5,-0.4 4,-0.2 -0.002 34.5 -75.7 98.3 157.6 23.6 48.9 37.5 43 53 A M T >> S+ 0 0 56 1,-0.3 3,-1.9 2,-0.2 4,-0.6 0.755 117.6 76.0 -61.8 -24.1 25.0 49.3 41.0 44 54 A D H 3> S+ 0 0 141 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.722 77.4 77.3 -61.7 -18.5 21.8 48.0 42.6 45 55 A I H <> S+ 0 0 4 -3,-1.6 4,-2.4 1,-0.2 -1,-0.3 0.812 86.7 60.8 -60.8 -27.6 23.0 44.5 41.6 46 56 A I H <> S+ 0 0 0 -3,-1.9 4,-2.3 -4,-0.2 -1,-0.2 0.959 107.6 40.8 -65.8 -51.0 25.4 44.6 44.5 47 57 A A H X S+ 0 0 30 -4,-0.6 4,-2.9 33,-0.3 5,-0.2 0.870 113.9 55.9 -63.4 -36.3 22.6 44.9 47.2 48 58 A E H X S+ 0 0 51 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.934 108.9 45.4 -63.9 -44.5 20.6 42.4 45.2 49 59 A F H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 6,-0.5 0.933 114.3 49.3 -63.8 -41.4 23.4 39.8 45.4 50 60 A R H X S+ 0 0 106 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.899 114.3 45.3 -62.7 -41.6 23.9 40.6 49.1 51 61 A K H < S+ 0 0 173 -4,-2.9 -1,-0.2 2,-0.2 -2,-0.2 0.887 120.2 38.1 -69.7 -37.9 20.2 40.2 49.9 52 62 A R H < S+ 0 0 150 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.839 128.9 26.2 -94.4 -29.0 19.7 37.0 47.9 53 63 A F H < S- 0 0 22 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.517 87.9-136.0-106.6 -9.5 22.8 35.0 48.5 54 64 A G < + 0 0 56 -4,-1.1 2,-0.3 -5,-0.4 -4,-0.2 0.852 57.6 144.8 52.4 38.2 23.9 36.5 51.9 55 65 A C - 0 0 5 -6,-0.5 -25,-0.2 1,-0.1 -1,-0.2 -0.695 57.2-106.7-104.8 153.9 27.4 36.6 50.5 56 66 A R E -c 30 0A 160 -27,-2.6 -25,-2.5 -2,-0.3 2,-0.5 -0.477 35.3-145.0 -70.3 150.7 30.2 39.1 51.0 57 67 A I E -c 31 0A 0 24,-0.2 26,-2.0 -27,-0.2 27,-1.3 -0.982 13.2-167.2-124.4 123.2 30.8 41.4 48.0 58 68 A I E -cd 32 84A 9 -27,-2.2 -25,-2.5 -2,-0.5 2,-0.8 -0.945 18.9-142.6-102.9 123.3 34.2 42.6 46.8 59 69 A A E -cd 33 85A 0 25,-3.0 27,-2.3 -2,-0.6 2,-1.7 -0.764 7.7-157.2 -88.0 110.7 33.8 45.4 44.2 60 70 A D E +c 34 0A 15 -27,-2.7 -25,-0.7 -2,-0.8 27,-0.1 -0.598 40.1 141.3 -90.5 81.4 36.5 45.0 41.7 61 71 A F E - 0 0 7 -2,-1.7 3,-0.2 25,-0.4 -1,-0.2 0.389 52.7-139.9-106.6 2.5 36.6 48.5 40.4 62 72 A K E - 0 0 69 -3,-0.2 25,-0.3 1,-0.2 -2,-0.1 0.881 25.4-146.7 45.5 48.6 40.5 48.8 40.1 63 73 A V E + d 0 87A 3 23,-1.9 25,-2.8 1,-0.1 -1,-0.2 -0.238 35.1 159.0 -60.2 129.3 40.2 52.3 41.4 64 74 A A + 0 0 57 -3,-0.2 2,-0.2 23,-0.2 -1,-0.1 -0.145 28.0 102.6-151.3 43.3 42.9 54.3 39.7 65 75 A D S S- 0 0 72 1,-0.2 23,-0.0 30,-0.1 -2,-0.0 -0.487 76.3 -64.1-119.2-171.7 42.2 58.0 39.8 66 76 A I > - 0 0 92 -2,-0.2 4,-2.8 1,-0.1 3,-0.4 -0.276 59.2 -98.5 -69.1 161.9 43.3 61.1 41.7 67 77 A P H > S+ 0 0 30 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.906 120.4 51.7 -53.4 -46.6 42.6 61.2 45.4 68 78 A E H > S+ 0 0 114 1,-0.2 4,-1.3 2,-0.2 27,-0.0 0.864 115.0 42.2 -59.8 -38.3 39.4 63.4 45.2 69 79 A T H > S+ 0 0 43 -3,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.881 110.6 55.8 -76.1 -38.7 37.8 61.2 42.6 70 80 A N H X S+ 0 0 1 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.900 104.4 55.7 -58.0 -43.0 38.9 58.0 44.3 71 81 A E H X S+ 0 0 75 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.920 109.1 46.2 -52.3 -48.3 37.1 59.3 47.4 72 82 A K H X S+ 0 0 144 -4,-1.3 4,-2.6 2,-0.2 -2,-0.2 0.919 111.5 50.9 -64.0 -45.3 33.9 59.7 45.4 73 83 A I H X S+ 0 0 45 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.931 112.2 46.8 -60.5 -45.6 34.1 56.3 43.8 74 84 A C H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.3 0.925 111.1 51.8 -63.8 -42.2 34.7 54.5 47.1 75 85 A R H X S+ 0 0 80 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.946 111.8 46.4 -60.5 -46.3 31.8 56.4 48.8 76 86 A A H X S+ 0 0 55 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.862 112.8 51.0 -62.6 -34.4 29.4 55.4 46.0 77 87 A T H <>S+ 0 0 3 -4,-2.0 5,-1.8 2,-0.2 -2,-0.2 0.918 112.4 43.6 -75.4 -42.5 30.6 51.8 46.1 78 88 A F H ><5S+ 0 0 2 -4,-2.7 3,-1.7 1,-0.2 -1,-0.2 0.881 109.2 57.6 -69.1 -36.7 30.1 51.4 49.8 79 89 A K H 3<5S+ 0 0 179 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.858 102.0 57.8 -55.5 -35.6 26.8 53.2 49.7 80 90 A A T 3<5S- 0 0 20 -4,-1.3 -33,-0.3 -5,-0.2 -1,-0.3 0.535 127.6-101.6 -76.4 -7.8 25.8 50.5 47.2 81 91 A G T < 5 + 0 0 15 -3,-1.7 -24,-0.2 1,-0.3 -3,-0.2 0.451 65.1 154.8 105.2 4.7 26.6 47.8 49.9 82 92 A A < - 0 0 0 -5,-1.8 -1,-0.3 1,-0.1 -24,-0.2 -0.382 34.9-152.0 -65.0 141.9 30.0 46.5 48.9 83 93 A D S S+ 0 0 24 -26,-2.0 26,-1.4 1,-0.2 2,-0.3 0.749 76.9 5.2 -80.0 -29.8 32.0 45.0 51.7 84 94 A A E -de 58 109A 5 -27,-1.3 -25,-3.0 24,-0.2 2,-0.4 -0.972 63.8-144.6-150.6 159.8 35.4 45.8 50.1 85 95 A I E -de 59 110A 0 24,-1.9 26,-3.0 -2,-0.3 2,-0.5 -0.983 15.0-133.0-131.9 143.2 36.8 47.6 47.1 86 96 A I E - e 0 111A 1 -27,-2.3 -23,-1.9 -2,-0.4 -25,-0.4 -0.850 29.0-174.7 -97.8 127.9 39.9 46.7 45.0 87 97 A V E -de 63 112A 0 24,-3.0 26,-3.1 -2,-0.5 2,-0.3 -0.921 23.9-119.4-125.9 144.5 42.2 49.7 44.3 88 98 A H E - e 0 113A 37 -25,-2.8 26,-0.1 -2,-0.3 -23,-0.1 -0.633 11.6-161.6 -77.5 140.8 45.3 50.1 42.1 89 99 A G S > S+ 0 0 1 24,-1.1 3,-2.5 -2,-0.3 7,-0.2 0.650 74.5 86.1 -88.5 -23.2 48.6 51.2 43.9 90 100 A F T 3 S+ 0 0 114 1,-0.3 -1,-0.1 23,-0.2 3,-0.1 0.842 80.8 62.2 -51.0 -40.3 50.3 52.4 40.7 91 101 A P T 3 S- 0 0 53 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 0.564 113.6-111.0 -67.0 -5.9 48.8 55.9 41.0 92 102 A G <> - 0 0 21 -3,-2.5 4,-1.7 1,-0.2 3,-0.3 -0.237 32.7 -56.7 105.8 175.4 50.6 56.4 44.3 93 103 A A H > S+ 0 0 43 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.798 122.7 54.4 -71.0 -34.1 50.1 56.8 48.0 94 104 A D H > S+ 0 0 102 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.893 108.4 50.6 -68.6 -37.0 47.7 59.7 48.1 95 105 A S H > S+ 0 0 4 -3,-0.3 4,-1.1 -4,-0.2 -2,-0.2 0.899 113.6 45.3 -63.9 -41.8 45.3 57.9 45.8 96 106 A V H X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.2 3,-0.4 0.923 110.1 54.0 -67.2 -45.1 45.4 54.8 48.0 97 107 A R H X S+ 0 0 90 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.866 101.7 59.5 -58.2 -36.9 45.0 56.8 51.2 98 108 A A H X S+ 0 0 10 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.912 108.3 44.9 -57.3 -41.1 41.9 58.5 49.8 99 109 A C H X S+ 0 0 0 -4,-1.1 4,-2.6 -3,-0.4 -2,-0.2 0.923 111.9 51.6 -70.3 -45.9 40.3 55.0 49.5 100 110 A L H X S+ 0 0 26 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.886 107.1 54.9 -55.9 -41.4 41.5 54.0 53.0 101 111 A N H X S+ 0 0 71 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.930 110.5 43.7 -60.1 -46.9 40.0 57.2 54.5 102 112 A V H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.917 111.8 53.8 -65.6 -41.0 36.6 56.4 53.0 103 113 A A H X>S+ 0 0 5 -4,-2.6 5,-2.6 1,-0.2 4,-0.9 0.910 109.3 50.0 -59.0 -38.4 36.8 52.7 54.1 104 114 A E H ><5S+ 0 0 154 -4,-2.4 3,-0.5 1,-0.2 -1,-0.2 0.921 110.8 48.6 -65.3 -44.0 37.6 53.9 57.6 105 115 A E H 3<5S+ 0 0 127 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.849 119.5 38.1 -61.5 -36.5 34.6 56.3 57.6 106 116 A M H 3<5S- 0 0 58 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.384 109.8-114.2-103.5 0.6 32.2 53.6 56.3 107 117 A G T <<5S+ 0 0 69 -4,-0.9 -3,-0.2 -3,-0.5 2,-0.2 0.866 73.6 124.7 68.9 39.5 33.5 50.6 58.2 108 118 A R < - 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0 0 4 -5,-2.6 -1,-0.3 -6,-0.2 -30,-0.1 -0.413 14.4-178.7 -62.8 134.7 46.9 48.2 54.1 142 152 A K + 0 0 117 -32,-0.4 24,-2.9 1,-0.1 2,-0.4 0.472 59.3 63.4-114.5 -7.3 46.0 44.7 55.3 143 153 A N E +fg 111 166A 19 -33,-0.5 -31,-2.6 22,-0.2 2,-0.3 -0.990 61.7 177.4-130.6 130.8 44.4 43.1 52.2 144 154 A Y E -fg 112 167A 0 22,-2.6 24,-2.7 -2,-0.4 2,-0.4 -0.888 22.5-145.6-136.4 156.4 46.2 42.5 48.9 145 155 A V E +fg 113 168A 7 -33,-2.3 -31,-1.6 -2,-0.3 -30,-0.5 -0.987 26.2 168.5-122.9 133.2 45.8 41.0 45.4 146 156 A G - 0 0 1 22,-1.9 2,-0.4 -2,-0.4 -30,-0.1 -0.953 37.6 -80.5-146.2 164.9 48.6 39.2 43.6 147 157 A P > - 0 0 2 0, 0.0 3,-1.6 0, 0.0 7,-0.3 -0.516 17.7-166.1 -86.6 120.6 49.0 37.0 40.5 148 158 A S T 3 S+ 0 0 2 22,-2.7 30,-0.5 -2,-0.4 23,-0.2 0.787 91.4 64.8 -61.4 -31.0 48.2 33.3 40.4 149 159 A T T 3 S+ 0 0 41 21,-0.4 -1,-0.3 1,-0.3 22,-0.1 0.551 106.1 42.3 -72.9 -11.1 50.1 33.1 37.0 150 160 A R X> + 0 0 21 -3,-1.6 4,-2.1 1,-0.1 3,-1.0 -0.631 63.2 172.1-134.6 77.3 53.4 34.0 38.7 151 161 A P H 3> S+ 0 0 40 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.784 79.7 60.1 -60.8 -25.8 53.7 32.1 42.0 152 162 A E H 3> S+ 0 0 123 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.853 108.7 45.4 -67.3 -34.2 57.4 33.2 42.4 153 163 A R H <> S+ 0 0 41 -3,-1.0 4,-2.6 2,-0.2 -1,-0.2 0.878 110.2 53.4 -72.2 -38.6 56.0 36.8 42.4 154 164 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 -7,-0.3 -2,-0.2 0.837 109.0 50.6 -62.6 -34.6 53.2 35.8 44.8 155 165 A S H X S+ 0 0 46 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.928 110.2 47.9 -65.4 -49.2 55.9 34.4 47.1 156 166 A R H X S+ 0 0 73 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.889 112.7 50.5 -58.8 -41.1 57.9 37.6 47.0 157 167 A L H X S+ 0 0 9 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.920 108.8 49.9 -64.2 -45.9 54.7 39.5 47.7 158 168 A R H X S+ 0 0 15 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.887 107.4 56.8 -57.5 -37.8 53.8 37.4 50.7 159 169 A E H < S+ 0 0 133 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.878 111.2 42.3 -62.1 -38.9 57.3 38.0 51.9 160 170 A I H < S+ 0 0 29 -4,-1.5 -2,-0.2 -3,-0.2 -1,-0.2 0.925 119.4 40.9 -75.3 -46.0 56.8 41.7 51.9 161 171 A I H < S- 0 0 8 -4,-2.7 4,-0.5 1,-0.1 3,-0.2 0.639 103.3-139.6 -83.8 -13.2 53.3 41.8 53.4 162 172 A G < - 0 0 27 -4,-1.9 3,-0.4 -5,-0.3 -1,-0.1 -0.021 29.2 -68.4 79.3 175.3 53.9 39.1 56.0 163 173 A Q S S+ 0 0 156 1,-0.2 -1,-0.2 -4,-0.1 -4,-0.1 0.658 123.9 59.5 -83.9 -17.6 51.7 36.3 57.3 164 174 A D S S+ 0 0 138 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.724 85.6 91.4 -86.6 -18.6 49.0 38.4 59.0 165 175 A S S S- 0 0 5 -4,-0.5 2,-0.5 -3,-0.4 -22,-0.2 -0.414 80.4-121.8 -70.0 151.2 48.0 40.2 55.8 166 176 A F E -g 143 0A 56 -24,-2.9 -22,-2.6 -2,-0.1 2,-0.4 -0.852 29.4-168.5-100.3 133.6 45.2 38.7 53.8 167 177 A L E -g 144 0A 0 -2,-0.5 20,-2.3 -24,-0.2 21,-1.5 -0.978 7.7-173.1-132.0 122.2 46.1 37.9 50.2 168 178 A I E -gh 145 188A 0 -24,-2.7 -22,-1.9 -2,-0.4 21,-0.2 -0.857 11.1-153.9-115.8 152.3 43.7 36.9 47.4 169 179 A S E - h 0 189A 0 19,-1.7 21,-2.4 -2,-0.3 3,-0.2 -0.930 9.0-171.0-140.3 111.3 44.8 35.8 43.9 170 180 A P + 0 0 29 0, 0.0 -22,-2.7 0, 0.0 -21,-0.4 -0.487 59.5 73.7 -89.9 169.1 43.2 35.9 40.5 171 181 A G + 0 0 3 19,-0.4 6,-2.5 1,-0.3 2,-0.4 0.561 61.1 145.0 102.7 12.5 44.4 34.2 37.3 172 182 A V B -i 177 0B 8 18,-0.9 2,-1.0 -3,-0.2 20,-0.4 -0.723 66.9 -12.0 -87.8 129.3 43.4 30.7 38.3 173 183 A G S > S+ 0 0 34 4,-2.4 3,-1.7 -2,-0.4 18,-0.1 -0.750 132.6 42.6 91.8-100.5 42.1 28.4 35.6 174 184 A A T 3 S+ 0 0 53 -2,-1.0 -1,-0.2 1,-0.3 -2,-0.1 0.827 118.7 45.2 -51.9 -44.3 41.4 30.4 32.4 175 185 A Q T 3 S- 0 0 83 -3,-0.1 -1,-0.3 2,-0.1 -3,-0.1 0.525 124.3 -99.5 -83.5 -6.4 44.6 32.5 32.7 176 186 A G S < S+ 0 0 63 -3,-1.7 -4,-0.2 1,-0.3 -2,-0.1 0.259 74.6 136.9 113.1 -11.1 46.7 29.5 33.5 177 187 A G B -i 172 0B 9 -6,-2.5 -4,-2.4 1,-0.1 -1,-0.3 -0.315 47.2-130.4 -69.4 152.6 47.1 29.6 37.3 178 188 A D > - 0 0 83 -30,-0.5 4,-2.4 -6,-0.2 5,-0.2 -0.891 3.9-143.1-105.3 130.3 46.8 26.5 39.5 179 189 A P H > S+ 0 0 18 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.940 99.5 44.5 -54.0 -52.9 44.6 26.5 42.6 180 190 A G H 4 S+ 0 0 30 1,-0.2 4,-0.3 2,-0.2 32,-0.0 0.923 115.5 45.2 -61.5 -47.8 46.9 24.3 44.8 181 191 A E H >4 S+ 0 0 89 1,-0.2 3,-1.4 2,-0.2 4,-0.4 0.905 112.8 51.9 -62.9 -39.7 50.1 26.1 43.9 182 192 A T H >X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.3 3,-1.6 0.895 103.0 59.2 -67.0 -36.2 48.5 29.5 44.3 183 193 A L T 3< S+ 0 0 15 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.498 85.6 76.9 -75.2 -2.2 47.2 28.6 47.8 184 194 A R T <4 S+ 0 0 153 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.817 119.0 13.1 -67.4 -28.9 50.8 27.9 49.0 185 195 A F T <4 S+ 0 0 34 -3,-1.6 -2,-0.2 -4,-0.4 2,-0.2 0.734 118.5 68.3-117.7 -38.9 51.0 31.8 49.2 186 196 A A < - 0 0 1 -4,-2.9 -18,-0.2 1,-0.1 3,-0.1 -0.588 64.7-142.5 -87.9 152.4 47.5 33.3 48.9 187 197 A D S S+ 0 0 55 -20,-2.3 2,-0.3 1,-0.2 -19,-0.2 0.808 87.2 9.5 -77.0 -30.6 44.7 32.9 51.5 188 198 A A E - h 0 168A 0 -21,-1.5 -19,-1.7 -6,-0.1 2,-0.4 -0.992 69.2-135.0-149.5 151.7 42.0 32.6 48.8 189 199 A I E -ah 5 169A 0 -185,-2.7 -183,-2.8 -2,-0.3 2,-0.5 -0.855 13.2-140.3-108.0 144.8 41.8 32.2 45.1 190 200 A I E -a 6 0A 6 -21,-2.4 -18,-0.9 -2,-0.4 2,-0.4 -0.900 21.1-175.9-101.2 131.0 39.6 34.1 42.7 191 201 A V E +a 7 0A 0 -185,-2.7 -183,-2.4 -2,-0.5 -18,-0.1 -0.991 14.5 154.2-132.9 124.9 38.0 32.0 39.9 192 202 A G S >> S+ 0 0 13 -20,-0.4 4,-2.6 -2,-0.4 3,-2.0 0.627 70.4 21.5-107.8 -94.3 35.8 33.5 37.0 193 203 A R H 3> S+ 0 0 112 1,-0.3 4,-2.3 2,-0.2 5,-0.3 0.762 112.5 66.7 -56.1 -39.0 35.5 31.8 33.6 194 204 A S H 34 S+ 0 0 46 -22,-0.3 -1,-0.3 1,-0.2 -21,-0.1 0.784 119.7 25.5 -53.9 -27.4 36.6 28.3 34.8 195 205 A I H X4 S+ 0 0 0 -3,-2.0 3,-1.0 -187,-0.1 -2,-0.2 0.842 125.2 44.4 -97.0 -55.2 33.3 28.3 36.8 196 206 A Y H 3< S+ 0 0 30 -4,-2.6 -3,-0.2 1,-0.3 -2,-0.2 0.687 117.7 43.1 -77.4 -16.4 30.9 30.7 35.1 197 207 A L T 3< S+ 0 0 111 -4,-2.3 -1,-0.3 -5,-0.3 -3,-0.1 0.405 91.6 113.2 -98.1 -3.2 31.6 29.5 31.5 198 208 A A S < S- 0 0 35 -3,-1.0 4,-0.1 -5,-0.3 -3,-0.1 -0.295 77.2-124.7 -64.6 150.2 31.5 25.8 32.6 199 209 A D S S+ 0 0 176 1,-0.3 -1,-0.1 2,-0.1 -4,-0.0 0.876 111.2 24.0 -61.4 -33.4 28.7 23.6 31.3 200 210 A N S > S- 0 0 91 1,-0.1 4,-2.4 2,-0.0 -1,-0.3 -0.809 71.5-176.1-133.4 89.5 28.1 22.8 35.0 201 211 A P H > S+ 0 0 6 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.864 85.5 54.9 -54.4 -39.2 29.4 25.6 37.3 202 212 A A H > S+ 0 0 20 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.918 110.4 46.6 -59.9 -43.6 28.5 23.7 40.5 203 213 A A H > S+ 0 0 53 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.891 112.1 51.1 -65.7 -39.7 30.6 20.8 39.3 204 214 A A H X S+ 0 0 25 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.935 112.9 44.8 -60.5 -49.6 33.4 23.1 38.3 205 215 A A H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.923 113.6 50.8 -60.7 -43.7 33.4 24.8 41.7 206 216 A A H X S+ 0 0 24 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.895 108.2 52.1 -62.8 -40.6 33.2 21.4 43.5 207 217 A G H X S+ 0 0 43 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.915 110.2 48.7 -61.6 -44.9 36.1 20.1 41.4 208 218 A I H >< S+ 0 0 22 -4,-2.1 3,-0.5 1,-0.2 4,-0.4 0.953 111.4 49.6 -59.2 -47.1 38.2 23.1 42.5 209 219 A I H >X S+ 0 0 5 -4,-2.5 4,-1.5 1,-0.3 3,-0.9 0.852 110.1 49.8 -64.1 -37.6 37.3 22.6 46.1 210 220 A E H 3X S+ 0 0 103 -4,-2.3 4,-0.6 1,-0.2 -1,-0.3 0.760 106.1 57.8 -70.6 -24.3 38.2 18.9 46.1 211 221 A S H << S+ 0 0 60 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.496 115.2 36.1 -85.0 -4.0 41.5 19.7 44.5 212 222 A I H <4 S+ 0 0 34 -3,-0.9 -2,-0.2 -4,-0.4 -1,-0.2 0.472 99.4 70.3-125.1 -12.4 42.4 22.0 47.5 213 223 A K H < 0 0 136 -4,-1.5 -3,-0.1 -5,-0.2 -2,-0.1 0.774 360.0 360.0 -68.9 -26.3 40.9 20.2 50.5 214 224 A D < 0 0 171 -4,-0.6 -2,-0.2 -5,-0.2 -1,-0.1 0.991 360.0 360.0 -63.7 360.0 43.7 17.8 49.6