==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PLANT PROTEIN 10-SEP-03 1QYD . COMPND 2 MOLECULE: PINORESINOL-LARICIRESINOL REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THUJA PLICATA; . AUTHOR T.MIN,H.KASAHARA,D.L.BEDGAR,B.YOUN,P.K.LAWRENCE,D.R.GANG, . 1248 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 54518.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 835 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 139 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 1.3 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 . 2 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 . 1 0.1 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 . 129 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 146 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 338 27.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 2.0 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 13 2 0 3 8 2 6 4 2 3 1 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 7 12 10 1 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 . 1 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 12 4 0 1 3 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 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 2 A D 0 0 145 0, 0.0 2,-0.2 0, 0.0 26,-0.2 0.000 360.0 360.0 360.0 -62.9 8.2 26.8 49.8 2 3 A K - 0 0 59 24,-1.0 2,-0.7 1,-0.0 24,-0.0 -0.571 360.0-142.4-107.3 155.9 10.8 29.6 50.5 3 4 A K + 0 0 186 -2,-0.2 2,-0.3 25,-0.1 25,-0.1 -0.853 46.4 129.5-102.1 95.9 12.4 32.9 49.2 4 5 A S - 0 0 8 -2,-0.7 2,-0.7 23,-0.2 204,-0.0 -0.947 54.3-119.2-138.7 159.0 16.1 33.2 49.9 5 6 A R - 0 0 116 -2,-0.3 73,-2.0 23,-0.1 72,-0.9 -0.875 30.6-169.7-114.3 114.3 18.8 34.0 47.3 6 7 A V E -ab 30 78A 0 23,-2.0 25,-2.2 -2,-0.7 2,-0.5 -0.789 13.6-164.3-111.1 142.8 21.4 31.4 46.7 7 8 A L E -ab 31 79A 2 71,-0.8 73,-3.1 -2,-0.4 2,-0.6 -0.992 10.0-163.2-117.3 119.6 24.5 31.7 44.8 8 9 A I E -ab 32 80A 0 23,-2.5 25,-1.6 -2,-0.5 2,-0.4 -0.945 8.5-179.4-111.1 124.4 26.2 28.4 43.9 9 10 A V E S+ab 33 81A 3 71,-2.0 73,-2.9 -2,-0.6 74,-0.2 -0.925 76.9 31.5-114.3 136.7 29.7 28.5 42.9 10 11 A G S > S+ 0 0 1 23,-0.6 3,-2.8 -2,-0.4 2,-0.4 0.165 82.4 134.4 94.8 -17.0 31.2 25.0 42.0 11 12 A G T 3 + 0 0 0 1,-0.3 9,-0.1 22,-0.3 23,-0.1 0.228 55.7 65.1 -56.3 3.8 27.7 23.9 40.8 12 13 A T T 3 S+ 0 0 22 -2,-0.4 -1,-0.3 70,-0.1 5,-0.1 0.617 92.0 92.2 -93.1 -11.8 28.6 22.3 37.5 13 14 A G S <> S- 0 0 18 -3,-2.8 4,-1.6 69,-0.1 5,-0.1 0.162 95.4 -85.2 -69.2-173.4 30.5 19.7 39.7 14 15 A Y T 4 S+ 0 0 96 70,-0.2 4,-0.3 2,-0.2 3,-0.2 0.960 123.1 21.2 -67.8 -63.7 29.3 16.3 41.1 15 16 A I T >> S+ 0 0 11 1,-0.2 4,-1.7 2,-0.2 3,-1.6 0.839 116.5 70.7 -74.2 -27.1 27.5 17.2 44.4 16 17 A G H 3> S+ 0 0 0 66,-0.3 4,-3.5 1,-0.3 -5,-0.2 0.849 93.0 54.2 -53.2 -43.3 27.0 20.8 43.2 17 18 A K H 3X S+ 0 0 72 -4,-1.6 4,-2.0 -3,-0.2 -1,-0.3 0.716 108.8 51.3 -63.0 -26.0 24.4 19.8 40.6 18 19 A R H <> S+ 0 0 78 -3,-1.6 4,-1.0 -4,-0.3 -2,-0.2 0.857 111.8 44.4 -76.8 -41.3 22.5 18.1 43.5 19 20 A I H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 3,-0.4 0.966 113.9 53.4 -63.4 -57.8 22.7 21.2 45.6 20 21 A V H X S+ 0 0 0 -4,-3.5 4,-1.8 1,-0.2 -2,-0.2 0.889 110.9 42.4 -47.3 -56.0 21.7 23.3 42.5 21 22 A N H X S+ 0 0 60 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.829 111.1 58.6 -69.2 -21.3 18.5 21.3 41.6 22 23 A A H X S+ 0 0 4 -4,-1.0 4,-1.9 -3,-0.4 6,-0.2 0.956 105.1 49.9 -64.8 -47.9 17.6 21.2 45.3 23 24 A S H <>S+ 0 0 0 -4,-2.1 5,-2.5 2,-0.2 3,-0.5 0.955 113.7 44.1 -47.5 -59.8 17.6 25.0 45.4 24 25 A I H ><5S+ 0 0 31 -4,-1.8 3,-1.7 1,-0.2 -2,-0.2 0.974 116.9 45.3 -58.8 -59.8 15.4 25.3 42.4 25 26 A S H 3<5S+ 0 0 87 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.636 110.4 53.7 -62.7 -17.7 12.9 22.5 43.6 26 27 A L T 3<5S- 0 0 29 -4,-1.9 -24,-1.0 -3,-0.5 -1,-0.3 0.023 125.6 -95.4-103.5 26.0 12.7 23.8 47.3 27 28 A G T < 5S+ 0 0 34 -3,-1.7 -3,-0.2 1,-0.2 -23,-0.2 0.389 75.4 142.1 85.2 0.3 11.7 27.3 46.2 28 29 A H < - 0 0 6 -5,-2.5 2,-0.7 -6,-0.2 -1,-0.2 -0.624 55.1-124.9 -79.6 125.7 15.0 29.2 46.1 29 30 A P - 0 0 37 0, 0.0 -23,-2.0 0, 0.0 2,-0.4 -0.607 43.5-152.9 -56.0 106.9 15.8 31.8 43.4 30 31 A T E -a 6 0A 2 -2,-0.7 27,-2.1 25,-0.2 2,-0.4 -0.850 24.1-175.4-109.5 134.7 19.0 30.3 42.3 31 32 A Y E -ac 7 57A 33 -25,-2.2 -23,-2.5 -2,-0.4 2,-0.5 -0.937 11.4-155.0-116.6 138.1 22.0 31.8 40.7 32 33 A V E -ac 8 58A 0 25,-2.4 27,-1.3 -2,-0.4 2,-0.4 -0.890 4.5-152.2-127.7 108.7 25.0 29.8 39.5 33 34 A L E -ac 9 59A 5 -25,-1.6 -23,-0.6 -2,-0.5 2,-0.4 -0.568 19.9-174.6 -76.3 128.0 28.3 31.3 39.3 34 35 A F - 0 0 25 25,-1.9 4,-0.1 -2,-0.4 -25,-0.0 -0.999 14.4-140.2-131.8 144.5 30.4 29.7 36.7 35 36 A R - 0 0 65 -2,-0.4 2,-0.6 1,-0.1 -1,-0.1 0.429 44.7 -74.0 -61.3-171.2 34.0 30.2 35.7 36 37 A P S S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 25,-0.0 -0.959 88.7 109.1 -92.8 107.9 35.5 30.3 32.3 37 38 A E + 0 0 81 -2,-0.6 7,-0.2 4,-0.1 8,-0.2 -0.283 34.8 109.3-171.3 51.9 35.5 26.6 31.2 38 39 A V + 0 0 71 6,-0.1 2,-0.8 -4,-0.1 7,-0.1 0.293 54.7 116.1 -94.8 -10.7 32.9 26.9 28.6 39 40 A V S S- 0 0 101 1,-0.3 3,-0.0 2,-0.1 0, 0.0 -0.564 103.3 -28.0 -78.6 102.3 36.1 26.3 26.6 40 41 A S S S+ 0 0 118 -2,-0.8 2,-1.4 1,-0.1 -1,-0.3 0.286 111.2 118.4 66.3 3.7 35.5 23.1 25.0 41 42 A N > + 0 0 45 1,-0.2 4,-2.2 2,-0.1 -1,-0.1 -0.584 22.6 158.7-103.2 88.0 33.2 22.0 27.7 42 43 A I H > S+ 0 0 97 -2,-1.4 4,-2.6 1,-0.2 -1,-0.2 0.743 75.7 60.0 -67.5 -26.8 30.0 21.5 26.1 43 44 A D H > S+ 0 0 109 -3,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.912 106.0 42.3 -70.9 -49.9 29.1 19.3 29.0 44 45 A K H >> S+ 0 0 20 -7,-0.2 4,-2.3 2,-0.2 3,-0.7 0.940 117.2 50.5 -61.3 -47.2 29.4 21.9 31.7 45 46 A V H 3X S+ 0 0 37 -4,-2.2 4,-3.4 1,-0.2 5,-0.3 0.927 106.7 50.9 -63.4 -46.0 27.6 24.5 29.4 46 47 A Q H 3X S+ 0 0 120 -4,-2.6 4,-1.0 1,-0.3 -1,-0.2 0.674 110.6 51.0 -68.8 -17.1 24.6 22.3 28.5 47 48 A M H X>S+ 0 0 2 -4,-4.0 5,-1.5 1,-0.2 3,-1.4 0.945 112.9 51.8 -54.5 -45.1 20.0 24.8 35.0 52 53 A K H ><5S+ 0 0 104 -4,-3.7 3,-1.0 1,-0.3 -2,-0.2 0.823 101.5 57.2 -67.4 -36.9 18.9 28.0 33.2 53 54 A Q T 3<5S+ 0 0 160 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.398 103.8 57.3 -79.1 10.2 15.8 26.5 31.5 54 55 A L T <45S- 0 0 65 -3,-1.4 -1,-0.2 -4,-0.2 -2,-0.2 0.524 134.2 -85.7-102.8 -21.5 14.6 25.6 35.0 55 56 A G T <<5S+ 0 0 53 -3,-1.0 -3,-0.2 -4,-0.5 -25,-0.2 0.448 79.1 141.9 129.3 6.6 14.8 29.2 36.2 56 57 A A < - 0 0 7 -5,-1.5 2,-0.4 -6,-0.1 -1,-0.3 -0.471 44.4-135.5 -78.0 152.5 18.4 29.7 37.3 57 58 A K E -c 31 0A 112 -27,-2.1 -25,-2.4 -2,-0.1 2,-0.5 -0.891 19.8-140.8-102.7 131.2 20.2 32.9 36.6 58 59 A L E -c 32 0A 44 -2,-0.4 2,-0.7 -27,-0.2 -25,-0.2 -0.880 8.4-159.7-104.8 128.9 23.9 32.5 35.3 59 60 A I E -c 33 0A 35 -27,-1.3 -25,-1.9 -2,-0.5 -2,-0.0 -0.877 6.8-156.5-110.3 104.5 26.7 34.7 36.5 60 61 A E + 0 0 150 -2,-0.7 -1,-0.1 -27,-0.2 -27,-0.1 0.584 49.6 133.0 -48.6 -22.7 29.7 34.7 34.0 61 62 A A - 0 0 1 1,-0.1 2,-0.2 7,-0.1 -27,-0.1 0.332 47.0-144.5 -34.2 151.7 32.1 35.8 36.8 62 63 A S - 0 0 20 -27,-0.1 3,-0.1 3,-0.1 7,-0.1 -0.718 24.0-119.9-110.5 170.0 35.5 34.4 37.7 63 64 A L S S+ 0 0 17 -2,-0.2 6,-0.1 1,-0.2 -2,-0.0 0.708 108.0 62.6 -83.2 -20.2 36.9 34.2 41.4 64 65 A D S S+ 0 0 33 1,-0.1 2,-1.7 820,-0.1 -1,-0.2 0.708 81.2 83.5 -75.6 -27.1 39.8 36.5 40.7 65 66 A D >> - 0 0 25 1,-0.2 4,-2.1 -3,-0.1 3,-0.5 -0.623 60.6-179.9 -81.9 85.2 37.6 39.5 39.8 66 67 A H H 3> S+ 0 0 69 -2,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.862 75.2 53.1 -54.6 -43.9 37.1 40.6 43.4 67 68 A Q H 3> S+ 0 0 127 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.829 111.3 44.8 -67.9 -31.5 34.9 43.6 42.5 68 69 A R H <> S+ 0 0 105 -3,-0.5 4,-2.9 2,-0.2 -1,-0.2 0.846 109.8 56.7 -79.1 -29.5 32.4 41.5 40.4 69 70 A L H X S+ 0 0 1 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.975 110.0 44.0 -62.1 -51.5 32.4 38.8 43.0 70 71 A V H X S+ 0 0 20 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.828 112.9 52.4 -61.9 -33.0 31.2 41.4 45.6 71 72 A D H >< S+ 0 0 100 -4,-1.4 3,-0.6 2,-0.2 4,-0.4 0.973 112.5 45.7 -61.0 -52.4 28.8 42.9 43.1 72 73 A A H >< S+ 0 0 13 -4,-2.9 3,-1.1 1,-0.2 4,-0.2 0.824 110.5 51.9 -54.9 -47.2 27.3 39.5 42.6 73 74 A L H >< S+ 0 0 0 -4,-2.4 3,-0.9 1,-0.3 -1,-0.2 0.673 97.3 67.1 -70.4 -25.9 27.2 38.6 46.3 74 75 A K T << S+ 0 0 107 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.745 95.0 59.7 -69.2 -17.6 25.3 41.7 47.1 75 76 A Q T < S+ 0 0 100 -3,-1.1 2,-0.3 -4,-0.4 -1,-0.2 0.666 105.3 57.3 -84.5 -13.8 22.4 40.3 45.1 76 77 A V < - 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0 0 2 35,-0.1 3,-1.9 38,-0.1 5,-0.2 0.920 22.8-139.3 82.5 96.7 34.8 16.9 58.7 120 121 A P T 3 S+ 0 0 1 0, 0.0 18,-0.1 0, 0.0 14,-0.1 0.729 94.8 45.3 -55.0 -42.0 38.3 18.4 58.8 121 122 A D T 3 S+ 0 0 63 16,-0.1 2,-1.4 1,-0.1 -2,-0.1 0.222 79.2 105.6 -97.2 20.7 38.8 19.5 62.3 122 123 A I S < S- 0 0 19 -3,-1.9 2,-2.6 157,-0.1 3,-0.1 -0.868 114.0 -81.0 -96.9 87.9 37.4 16.3 63.7 123 124 A M - 0 0 140 -2,-1.4 -1,-0.1 1,-0.2 -4,-0.0 -0.223 53.7-163.3 51.6 -61.8 40.9 15.5 64.6 124 125 A E + 0 0 11 -2,-2.6 -1,-0.2 -5,-0.2 -5,-0.0 0.943 21.5 165.9 22.3 71.6 42.1 14.3 61.2 125 126 A H + 0 0 101 -3,-0.1 -1,-0.1 0, 0.0 -2,-0.1 -0.142 34.3 164.6 -75.9 4.8 45.0 12.7 62.8 126 127 A A - 0 0 2 1,-0.2 5,-0.1 5,-0.1 2,-0.1 0.093 46.3-102.7 -50.2 148.0 45.1 11.1 59.3 127 128 A L - 0 0 35 1,-0.1 -1,-0.2 3,-0.1 145,-0.1 -0.405 59.7 -86.8 -67.3 142.7 47.7 9.2 57.4 128 129 A Q S S+ 0 0 87 2,-0.2 2,-0.2 1,-0.1 -1,-0.1 -0.377 93.9 35.8 -80.2 165.6 49.3 11.4 54.7 129 130 A P S > S+ 0 0 15 0, 0.0 3,-2.1 0, 0.0 2,-0.5 -0.929 119.7 47.2 -77.0 -38.6 49.1 12.4 51.6 130 131 A G T 3 S+ 0 0 2 135,-0.6 4,-0.4 138,-0.3 -2,-0.2 0.158 87.4 89.7 -52.5 10.3 45.3 12.8 51.6 131 132 A S T 3> S+ 0 0 21 -2,-0.5 4,-1.4 1,-0.1 -1,-0.3 0.615 72.5 76.5 -76.3 -21.9 45.7 14.5 54.9 132 133 A I H <> S+ 0 0 45 -3,-2.1 4,-3.4 2,-0.2 5,-0.2 0.820 84.3 59.8 -56.6 -41.2 45.9 17.7 52.6 133 134 A T H > S+ 0 0 7 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.935 109.5 41.8 -58.4 -44.2 42.2 17.8 51.9 134 135 A F H 4 S+ 0 0 7 -4,-0.4 4,-0.4 1,-0.2 -1,-0.2 0.811 114.5 52.7 -80.1 -25.5 41.4 18.2 55.6 135 136 A I H >X S+ 0 0 69 -4,-1.4 4,-1.6 2,-0.2 3,-0.9 0.954 111.8 46.2 -65.2 -52.1 44.3 20.7 55.9 136 137 A D H >X S+ 0 0 7 -4,-3.4 4,-1.4 1,-0.3 3,-0.5 0.945 110.0 50.8 -55.6 -59.3 43.0 22.8 53.0 137 138 A K H 3X S+ 0 0 19 -4,-2.2 4,-1.1 1,-0.2 -1,-0.3 0.550 107.0 57.0 -55.4 -16.7 39.4 22.9 54.1 138 139 A R H <> S+ 0 0 48 -3,-0.9 4,-4.1 -4,-0.4 5,-0.3 0.886 101.3 53.8 -84.1 -42.2 40.5 24.0 57.6 139 140 A K H S+ 0 0 0 -4,-1.1 5,-1.1 -3,-0.2 3,-0.3 0.996 112.5 42.4 -63.5 -63.2 35.5 32.1 57.7 145 146 A E H ><5S+ 0 0 44 -4,-1.8 3,-0.9 1,-0.2 -2,-0.2 0.731 109.8 58.8 -57.1 -31.8 35.2 32.3 61.5 146 147 A A H 3<5S+ 0 0 77 -4,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.968 110.5 40.9 -58.0 -54.7 38.0 34.9 61.8 147 148 A A T 3<5S- 0 0 22 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.271 116.5-122.8 -75.4 9.7 36.0 37.3 59.6 148 149 A S T < 5 + 0 0 104 -3,-0.9 -3,-0.2 1,-0.1 -2,-0.1 0.880 47.2 169.1 36.1 59.7 32.8 36.2 61.5 149 150 A I < - 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0 0 0 -2,-0.3 4,-1.8 -37,-0.2 3,-0.9 -0.675 36.8-101.5-102.8 165.2 24.5 78.4 100.3 1167 229 D Q H >> S+ 0 0 1 -39,-0.5 4,-2.1 1,-0.3 3,-0.8 0.929 123.5 49.9 -45.9 -53.1 22.7 76.4 97.6 1168 230 D K H 3> S+ 0 0 35 -42,-1.6 4,-1.6 1,-0.3 -1,-0.3 0.710 106.9 54.8 -59.8 -32.2 23.9 78.9 94.9 1169 231 D E H <> S+ 0 0 44 -3,-0.9 4,-2.5 -43,-0.4 -1,-0.3 0.863 106.7 49.2 -70.0 -39.4 27.4 78.7 96.1 1170 232 D V H > - 0 0 55 -2,-0.3 4,-1.7 -66,-0.1 3,-1.5 -0.857 68.7 -79.3-135.0 158.9 9.0 80.9 97.8 1190 252 D Q T 34 S+ 0 0 67 1,-0.3 6,-0.1 -2,-0.3 -2,-0.0 0.704 133.7 56.8 -49.1 -14.5 7.3 79.1 100.8 1191 253 D D T >> S+ 0 0 117 2,-0.3 3,-2.3 1,-0.2 4,-1.7 0.906 102.9 51.0 -74.9 -53.1 3.9 79.6 99.0 1192 254 D F H <> S+ 0 0 88 -3,-1.5 4,-0.9 1,-0.3 -2,-0.2 0.779 103.5 62.4 -59.6 -20.8 5.2 77.7 96.0 1193 255 D L H 3X S+ 0 0 8 -4,-1.7 4,-1.7 2,-0.3 -1,-0.3 0.570 89.3 63.0 -88.1 1.8 6.1 75.2 98.7 1194 256 D A H <> S+ 0 0 50 -3,-2.3 4,-1.3 -5,-0.3 -2,-0.2 0.822 97.4 57.8 -69.3 -37.1 2.3 75.0 99.3 1195 257 D D H X S+ 0 0 111 -4,-1.7 4,-0.6 1,-0.2 3,-0.3 0.891 104.7 50.0 -57.0 -32.6 2.7 73.7 95.7 1196 258 D M H >< S+ 0 0 5 -4,-0.9 3,-1.7 1,-0.2 -1,-0.2 0.931 99.2 65.3 -59.4 -50.8 5.0 71.2 97.6 1197 259 D K H 3< S+ 0 0 77 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.701 94.3 59.1 -55.2 -19.8 2.2 70.6 100.2 1198 260 D D H 3< S+ 0 0 133 -4,-1.3 2,-1.0 -3,-0.3 -1,-0.3 0.852 83.5 88.8 -71.4 -32.2 0.0 69.0 97.4 1199 261 D K S << S- 0 0 51 -3,-1.7 4,-0.1 -4,-0.6 -1,-0.1 -0.569 88.1-127.0 -70.8 102.3 2.8 66.3 96.7 1200 262 D S > - 0 0 74 -2,-1.0 2,-1.3 3,-0.1 3,-0.8 -0.019 41.7 -12.3 -79.2 160.6 1.6 63.7 99.2 1201 263 D Y T 3 S- 0 0 203 1,-0.2 -1,-0.1 2,-0.2 -2,-0.0 -0.590 124.3 -3.3 74.9 -70.6 2.3 61.5 102.2 1202 264 D E T 3> S+ 0 0 74 -2,-1.3 4,-1.2 2,-0.1 -1,-0.2 0.236 122.9 69.1-135.0 0.5 6.1 61.2 102.7 1203 265 D E H <> S+ 0 0 91 -3,-0.8 4,-1.2 2,-0.2 -2,-0.2 0.597 96.2 60.3 -84.0 -26.2 7.3 63.3 99.8 1204 266 D K H > S+ 0 0 52 2,-0.2 4,-1.6 1,-0.1 -135,-0.4 0.802 101.2 56.4 -67.3 -30.3 5.8 66.0 102.0 1205 267 D I H > S+ 0 0 36 2,-0.2 4,-1.2 1,-0.2 3,-0.4 0.991 104.3 47.3 -64.8 -59.6 8.4 64.8 104.5 1206 268 D V H X S+ 0 0 68 -4,-1.2 4,-0.6 1,-0.2 -1,-0.2 0.781 112.1 51.4 -56.3 -30.7 11.5 65.3 102.4 1207 269 D R H >X S+ 0 0 22 -4,-1.2 4,-2.3 2,-0.2 3,-0.8 0.897 101.7 59.0 -74.7 -41.5 10.4 68.8 101.4 1208 270 D C H 3< S+ 0 0 0 -4,-1.6 -142,-0.3 -3,-0.4 -1,-0.2 0.773 108.8 46.7 -59.1 -27.5 9.7 70.0 105.0 1209 271 D H H >< S+ 0 0 34 -4,-1.2 3,-0.6 2,-0.1 4,-0.4 0.646 110.1 53.3 -82.2 -25.1 13.4 69.2 105.7 1210 272 D L H S+ 0 0 1 -4,-2.3 5,-0.5 1,-0.2 -1,-0.2 0.024 108.5 45.2 -94.4 30.5 12.4 74.2 103.6 1212 274 D Q T <45S+ 0 0 3 -3,-0.6 6,-2.7 3,-0.2 -1,-0.2 0.287 117.4 42.2-142.6 -20.5 14.2 74.6 106.9 1213 275 D I T 45S+ 0 0 4 -3,-0.4 6,-0.3 -4,-0.4 -2,-0.2 0.776 131.3 25.1 -92.9 -50.3 17.7 74.1 105.6 1214 276 D F T <5S+ 0 0 1 -4,-2.4 -88,-0.2 -5,-0.1 -3,-0.2 0.624 135.5 31.5 -97.6 -15.7 17.2 76.2 102.5 1215 277 D F T 5S+ 0 0 42 -5,-0.4 -3,-0.2 -91,-0.1 -4,-0.1 0.855 132.4 20.9-105.7 -65.4 14.4 78.4 103.7 1216 278 D R S > + 0 0 4 -89,-0.1 3,-3.2 1,-0.1 2,-1.1 0.657 38.9 169.2 80.3 23.5 18.3 78.2 107.4 1218 280 D D T 34 + 0 0 5 -6,-2.7 -5,-0.2 1,-0.3 -1,-0.1 0.152 68.3 69.4 -56.3 18.2 18.2 75.9 110.6 1219 281 D L T 34 S+ 0 0 1 -2,-1.1 -1,-0.3 -90,-0.4 -89,-0.1 0.460 122.2 10.8-110.2 -17.4 21.6 74.6 109.8 1220 282 D Y T <4 S+ 0 0 96 -3,-3.2 2,-0.8 -91,-0.3 -2,-0.2 0.434 94.5 101.4-145.3 -4.4 23.0 78.0 110.7 1221 283 D N S < S+ 0 0 72 -4,-1.1 2,-0.3 -92,-0.1 -3,-0.1 -0.017 80.6 58.1 -79.8 38.5 20.3 80.2 112.3 1222 284 D F S S- 0 0 44 -2,-0.8 2,-0.5 -161,-0.0 -161,-0.0 -0.903 76.0-111.2-155.4 175.4 21.7 79.7 115.8 1223 285 D E - 0 0 157 -2,-0.3 -2,-0.0 0, 0.0 -3,-0.0 -0.986 44.7-110.7-117.2 126.7 24.4 79.8 118.5 1224 286 D I - 0 0 49 -2,-0.5 6,-0.1 1,-0.1 -68,-0.0 -0.334 48.5-114.7 -58.3 128.4 25.8 76.4 119.6 1225 287 D G - 0 0 30 4,-0.1 -1,-0.1 1,-0.1 -3,-0.0 0.166 20.8 -97.1 -54.6 176.5 24.6 76.2 123.2 1226 288 D P S S+ 0 0 128 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.609 130.8 40.1 -60.6 -23.3 26.4 76.1 126.5 1227 289 D N S S+ 0 0 119 2,-0.1 -75,-0.2 -76,-0.0 2,-0.1 0.696 105.6 83.2 -99.2 -29.7 26.2 72.3 126.3 1228 290 D A - 0 0 13 -74,-0.2 -72,-0.2 -72,-0.1 2,-0.2 -0.371 56.4-177.0 -72.7 149.1 26.9 72.1 122.6 1229 291 D I E -l 1156 0S 27 -74,-1.5 -72,-2.3 -2,-0.1 2,-0.4 -0.659 24.7-114.5-125.8-170.3 30.4 72.2 121.1 1230 292 D E E > -l 1157 0S 13 -2,-0.2 4,-2.9 -74,-0.2 -72,-0.2 -1.000 10.6-150.5-138.5 130.0 31.7 72.2 117.5 1231 293 D A H > S+ 0 0 0 -74,-2.8 4,-2.2 -2,-0.4 -73,-0.2 0.767 93.8 54.2 -76.9 -33.3 33.7 69.4 116.0 1232 294 D T H 4 S+ 0 0 20 -75,-0.3 -1,-0.2 2,-0.2 -74,-0.1 0.650 118.5 39.9 -71.7 -22.8 35.9 71.2 113.5 1233 295 D K H 4 S+ 0 0 150 -3,-0.2 -2,-0.2 -74,-0.0 -1,-0.1 0.919 118.9 44.4 -83.4 -61.7 37.0 73.4 116.4 1234 296 D L H < S+ 0 0 57 -4,-2.9 -3,-0.2 1,-0.2 -2,-0.2 0.878 123.5 37.1 -43.9 -57.8 37.3 70.6 119.0 1235 297 D Y S < S+ 0 0 14 -4,-2.2 -1,-0.2 1,-0.2 -94,-0.0 -0.885 71.3 163.1-101.1 100.3 39.0 68.3 116.7 1236 298 D P + 0 0 92 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.754 61.3 72.5 -92.7 -27.1 41.3 70.5 114.6 1237 299 D E S S+ 0 0 62 2,-0.1 2,-0.2 0, 0.0 -5,-0.1 0.683 70.4 111.3 -62.7 -25.2 43.6 67.9 113.2 1238 300 D V - 0 0 13 1,-0.1 2,-1.8 -6,-0.0 -101,-0.0 -0.320 62.8-148.3 -52.3 111.4 40.9 66.6 110.9 1239 301 D K - 0 0 144 -2,-0.2 -1,-0.1 2,-0.0 -2,-0.1 -0.655 31.5-173.7 -78.0 83.4 41.8 67.4 107.2 1240 302 D Y - 0 0 38 -2,-1.8 2,-0.5 1,-0.1 -107,-0.0 -0.341 20.4-106.3 -77.9 166.5 38.0 67.8 106.3 1241 303 D V - 0 0 39 -107,-0.1 -107,-0.3 1,-0.0 -1,-0.1 -0.827 19.2-133.3-114.7 139.5 37.0 68.2 102.7 1242 304 D T > - 0 0 38 -2,-0.5 4,-1.2 1,-0.1 3,-0.4 -0.189 28.1-111.1 -65.4 160.8 35.7 71.2 101.0 1243 305 D M H > S+ 0 0 0 -81,-0.4 4,-0.6 1,-0.2 -1,-0.1 0.355 117.0 50.7 -86.7 11.2 32.7 71.2 98.8 1244 306 D D H 4 S+ 0 0 86 2,-0.2 -1,-0.2 3,-0.1 -3,-0.0 0.474 106.9 52.0-119.0 -13.2 34.7 71.7 95.6 1245 307 D S H > S+ 0 0 67 -3,-0.4 4,-0.7 2,-0.1 -2,-0.2 0.685 116.1 45.8 -81.1 -29.2 37.1 68.9 96.4 1246 308 D Y H >< S+ 0 0 33 -4,-1.2 3,-0.5 2,-0.2 -2,-0.2 0.919 113.8 43.3 -75.2 -52.2 33.9 66.9 96.8 1247 309 D L G >< S+ 0 0 0 -4,-0.6 3,-0.5 1,-0.2 -1,-0.2 0.627 98.1 80.4 -73.4 -10.9 32.1 68.0 93.7 1248 310 D E G 34 S+ 0 0 104 1,-0.3 2,-1.2 2,-0.1 3,-0.3 0.968 98.4 39.4 -50.2 -61.0 35.5 67.6 92.0 1249 311 D R G << S+ 0 0 220 -4,-0.7 -1,-0.3 -3,-0.5 -4,-0.0 -0.807 101.9 76.7 -97.8 80.3 34.7 63.9 91.8 1250 312 D Y < 0 0 47 -2,-1.2 -1,-0.2 -3,-0.5 -2,-0.1 -0.038 360.0 360.0-180.0 39.2 31.1 64.4 91.0 1251 313 D V 0 0 105 -3,-0.3 -2,-0.1 -137,-0.1 -3,-0.0 0.864 360.0 360.0 -86.0 360.0 31.5 65.3 87.4