==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN,TRANSFERASE/CELL CYCLE23-APR-07 2PMI . COMPND 2 MOLECULE: CYCLIN-DEPENDENT PROTEIN KINASE PHO85; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR K.HUANG,I.FERRIN-O'CONNELL,W.ZHANG,G.A.LEONARD,E.K.O'SHEA,F. . 998 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46298.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 634 63.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 62 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 60 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 132 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 331 33.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.2 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 5 2 1 1 3 1 4 1 4 2 0 1 4 2 0 0 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 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 0 0 PARALLEL BRIDGES PER LADDER . 3 4 2 1 0 3 1 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 . 3 0 3 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 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 19 A A 0 0 99 0, 0.0 2,-0.4 0, 0.0 19,-0.2 0.000 360.0 360.0 360.0 117.4 -82.2 28.4 -8.7 2 20 A T E -A 19 0A 61 17,-1.8 17,-3.5 2,-0.0 2,-0.3 -0.924 360.0-159.3-112.3 132.5 -85.2 26.2 -9.5 3 21 A V E -A 18 0A 87 -2,-0.4 2,-0.3 15,-0.3 15,-0.3 -0.779 8.1-173.8-114.1 157.2 -85.0 22.9 -11.4 4 22 A Y E -A 17 0A 138 13,-2.1 13,-4.3 -2,-0.3 2,-0.4 -0.943 28.3-108.9-141.3 160.9 -87.5 20.8 -13.4 5 23 A K E +A 16 0A 135 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.740 47.9 153.9 -92.1 139.7 -87.5 17.4 -15.1 6 24 A G E -A 15 0A 17 9,-1.9 9,-3.8 -2,-0.4 2,-0.3 -0.913 28.5-135.4-152.8 179.1 -87.6 17.5 -18.9 7 25 A L E -A 14 0A 74 7,-0.3 7,-0.3 -2,-0.3 6,-0.1 -0.977 28.6 -99.2-152.4 137.3 -86.7 15.4 -22.0 8 26 A N - 0 0 62 5,-2.6 7,-0.0 -2,-0.3 0, 0.0 -0.060 24.1-155.5 -44.8 145.8 -85.0 16.0 -25.4 9 27 A K S S+ 0 0 187 3,-0.0 -1,-0.1 1,-0.0 3,-0.0 0.846 97.0 44.2 -92.9 -46.9 -87.6 16.3 -28.2 10 28 A T S S+ 0 0 141 1,-0.1 2,-0.3 3,-0.1 -2,-0.1 0.954 129.9 30.5 -58.6 -47.9 -85.3 15.2 -31.0 11 29 A T S S- 0 0 71 2,-0.2 -1,-0.1 1,-0.1 0, 0.0 -0.839 77.5-135.6-111.7 148.0 -84.2 12.4 -28.6 12 30 A G + 0 0 52 -2,-0.3 -1,-0.1 -5,-0.1 -2,-0.0 0.656 64.7 128.2 -75.6 -13.3 -86.4 10.8 -25.9 13 31 A V - 0 0 59 -6,-0.1 -5,-2.6 1,-0.1 -2,-0.2 -0.188 57.1-132.5 -48.5 119.7 -83.4 11.0 -23.5 14 32 A Y E +A 7 0A 128 -7,-0.3 52,-0.7 52,-0.1 -7,-0.3 -0.306 28.3 179.2 -74.4 159.1 -84.6 12.7 -20.3 15 33 A V E -AB 6 65A 9 -9,-3.8 -9,-1.9 50,-0.2 2,-0.4 -0.810 28.5-106.6-146.6-174.4 -82.8 15.5 -18.6 16 34 A A E -AB 5 64A 19 48,-2.6 48,-1.8 -2,-0.2 2,-0.7 -0.991 23.1-153.1-124.6 128.9 -82.8 17.9 -15.6 17 35 A L E -AB 4 63A 49 -13,-4.3 -13,-2.1 -2,-0.4 2,-0.5 -0.821 8.9-172.3-111.5 97.2 -83.5 21.6 -16.1 18 36 A K E -AB 3 62A 45 44,-1.9 44,-2.3 -2,-0.7 2,-0.6 -0.743 17.2-149.1 -83.2 124.8 -81.9 23.9 -13.5 19 37 A E E +AB 2 61A 62 -17,-3.5 -17,-1.8 -2,-0.5 2,-0.6 -0.883 19.9 178.1-107.8 119.4 -83.3 27.4 -14.0 20 38 A V E - B 0 60A 9 40,-4.0 40,-2.4 -2,-0.6 -2,-0.0 -0.917 22.5-142.5-119.6 102.6 -81.3 30.5 -13.2 21 39 A K E - B 0 59A 110 -2,-0.6 38,-0.4 38,-0.3 2,-0.2 -0.222 16.4-135.9 -62.9 151.4 -83.1 33.8 -14.0 22 40 A L + 0 0 12 36,-2.7 6,-0.1 34,-0.2 36,-0.1 -0.626 60.2 55.7-109.4 167.2 -81.2 36.7 -15.5 23 41 A D + 0 0 82 -2,-0.2 2,-0.3 1,-0.2 392,-0.1 0.825 61.2 126.4 77.0 107.8 -81.0 40.5 -14.9 24 42 A S S > S- 0 0 60 390,-0.1 3,-2.6 391,-0.0 -1,-0.2 -0.956 78.1 -77.3-174.7 169.6 -80.3 41.6 -11.3 25 43 A E T 3 S+ 0 0 143 1,-0.3 379,-3.2 -2,-0.3 380,-0.3 0.677 141.6 35.6 -55.5 -14.9 -77.9 43.9 -9.3 26 44 A E T 3 S- 0 0 86 376,-0.3 -1,-0.3 377,-0.2 2,-0.2 0.277 96.5-164.4-118.2 4.2 -75.5 40.9 -9.9 27 45 A G < + 0 0 2 -3,-2.6 -1,-0.2 -5,-0.1 -2,-0.1 -0.253 68.6 27.5 51.1-111.7 -76.8 40.1 -13.4 28 46 A T S S- 0 0 4 -2,-0.2 -6,-0.1 390,-0.1 5,-0.1 -0.767 98.8-111.2 -87.4 112.7 -75.6 36.6 -14.3 29 47 A P >> - 0 0 19 0, 0.0 4,-2.3 0, 0.0 3,-0.9 -0.109 14.8-138.6 -42.7 120.0 -75.1 34.6 -11.0 30 48 A S H 3> S+ 0 0 6 1,-0.3 4,-3.3 2,-0.2 5,-0.2 0.850 105.2 61.4 -52.8 -34.1 -71.4 34.0 -10.4 31 49 A T H 3> S+ 0 0 76 2,-0.2 4,-2.8 1,-0.2 -1,-0.3 0.911 105.7 44.9 -59.7 -42.9 -72.5 30.6 -9.3 32 50 A A H <>>S+ 0 0 0 -3,-0.9 4,-2.4 2,-0.2 5,-0.5 0.952 113.1 50.4 -64.9 -49.8 -73.9 29.9 -12.8 33 51 A I H X5S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.935 115.1 44.3 -53.4 -48.0 -70.8 31.3 -14.5 34 52 A R H X5S+ 0 0 15 -4,-3.3 4,-2.2 -5,-0.2 -1,-0.2 0.907 117.3 44.6 -65.6 -42.9 -68.7 29.2 -12.3 35 53 A E H X5S+ 0 0 3 -4,-2.8 4,-2.7 -5,-0.2 3,-0.3 0.999 116.9 41.6 -65.4 -67.3 -70.8 26.0 -12.7 36 54 A I H X5S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.890 115.5 55.9 -43.2 -49.2 -71.4 26.2 -16.5 37 55 A S H <X S+ 0 0 3 -4,-2.2 3,-1.3 -3,-0.3 4,-0.7 0.847 107.6 65.7 -72.3 -35.1 -66.1 24.3 -15.1 39 57 A M H >< S+ 0 0 8 -4,-2.7 3,-0.9 1,-0.3 11,-0.2 0.858 95.9 56.4 -56.4 -38.5 -68.6 21.7 -16.4 40 58 A K T 3< S+ 0 0 36 -4,-1.5 -1,-0.3 1,-0.3 3,-0.2 0.787 108.9 50.8 -63.8 -21.4 -67.5 22.2 -20.0 41 59 A E T <4 S+ 0 0 20 -3,-1.3 2,-0.7 -4,-0.4 -1,-0.3 0.636 100.6 68.7 -88.2 -16.8 -64.1 21.3 -18.6 42 60 A L << + 0 0 3 -3,-0.9 2,-0.9 -4,-0.7 -1,-0.2 -0.588 51.9 157.6-111.0 74.2 -65.2 18.2 -16.8 43 61 A K + 0 0 145 -2,-0.7 2,-0.3 -3,-0.2 5,-0.1 -0.820 28.7 125.6 -94.8 104.3 -66.2 15.4 -19.3 44 62 A H B > -D 47 0B 34 -2,-0.9 3,-0.7 3,-0.5 58,-0.1 -0.963 67.9-112.8-152.8 160.9 -65.9 12.2 -17.3 45 63 A E T 3 S+ 0 0 113 -2,-0.3 4,-0.1 1,-0.3 57,-0.1 0.662 113.6 48.3 -74.6 -17.3 -68.2 9.2 -16.6 46 64 A N T 3 S+ 0 0 13 1,-0.1 85,-1.2 84,-0.1 -1,-0.3 -0.425 98.0 75.8-119.4 55.9 -68.5 9.9 -12.9 47 65 A I B < S-De 44 131B 0 -3,-0.7 -3,-0.5 83,-0.3 85,-0.1 -0.648 93.9-105.1-164.4 97.2 -69.3 13.7 -13.1 48 66 A V - 0 0 7 83,-1.3 2,-0.3 -2,-0.2 -6,-0.1 0.127 40.6-122.9 -28.4 127.2 -72.8 14.7 -14.2 49 67 A R - 0 0 134 -4,-0.1 16,-2.1 -6,-0.1 2,-0.9 -0.610 8.5-140.5 -84.4 136.9 -72.7 15.9 -17.8 50 68 A L E -C 64 0A 30 -2,-0.3 14,-0.2 -11,-0.2 3,-0.1 -0.845 17.2-170.8 -97.4 102.6 -73.9 19.4 -18.7 51 69 A Y E - 0 0 108 12,-2.2 2,-0.3 -2,-0.9 -1,-0.2 0.893 54.7 -44.0 -59.5 -49.3 -75.7 18.9 -22.0 52 70 A D E -C 63 0A 93 11,-0.8 11,-3.1 2,-0.0 2,-0.4 -0.983 47.9-109.4-174.2 170.6 -76.2 22.5 -22.9 53 71 A V E -C 62 0A 18 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.944 16.8-158.9-118.8 138.1 -77.2 26.0 -21.8 54 72 A I E -C 61 0A 84 7,-3.0 7,-0.9 -2,-0.4 8,-0.0 -0.766 12.7-176.2-120.0 87.5 -80.4 27.8 -22.9 55 73 A H + 0 0 93 -2,-0.6 5,-0.2 5,-0.2 2,-0.1 -0.320 15.9 151.6 -72.1 162.7 -80.1 31.6 -22.5 56 74 A T > - 0 0 64 1,-0.4 3,-2.2 3,-0.2 -34,-0.2 -0.462 59.2 -42.0 165.6 119.4 -83.3 33.6 -23.2 57 75 A E T 3 S- 0 0 161 1,-0.3 -1,-0.4 -2,-0.1 -34,-0.1 -0.268 123.5 -22.7 50.3-128.2 -84.7 37.0 -22.0 58 76 A N T 3 S+ 0 0 87 -3,-0.1 -36,-2.7 -36,-0.1 2,-0.4 -0.213 122.8 87.6-105.0 41.3 -84.1 37.0 -18.3 59 77 A K E < -B 21 0A 124 -3,-2.2 2,-0.4 -38,-0.4 -38,-0.3 -0.965 49.2-173.5-145.7 126.4 -83.8 33.3 -17.8 60 78 A L E -B 20 0A 1 -40,-2.4 -40,-4.0 -2,-0.4 2,-0.5 -0.955 8.0-168.7-116.9 132.7 -80.9 30.9 -18.2 61 79 A T E -BC 19 54A 15 -7,-0.9 -7,-3.0 -2,-0.4 2,-0.5 -0.989 9.2-154.7-126.5 128.8 -81.4 27.1 -18.0 62 80 A L E -BC 18 53A 0 -44,-2.3 -44,-1.9 -2,-0.5 2,-0.9 -0.873 13.9-144.6 -98.5 129.1 -78.6 24.6 -17.6 63 81 A V E -BC 17 52A 15 -11,-3.1 -12,-2.2 -2,-0.5 -11,-0.8 -0.795 22.7-178.1-102.2 97.7 -79.5 21.2 -19.0 64 82 A F E -BC 16 50A 23 -48,-1.8 -48,-2.6 -2,-0.9 2,-0.3 -0.535 40.8 -92.3 -90.2 154.7 -77.9 18.4 -16.9 65 83 A E E -B 15 0A 18 -16,-2.1 2,-0.2 -50,-0.2 -50,-0.2 -0.525 52.2-113.6 -66.6 123.8 -78.1 14.7 -17.5 66 84 A F - 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0 0 100 -3,-0.4 -1,-0.3 -7,-0.0 -2,-0.1 0.126 68.4 -6.4 53.1-177.2 -83.0 4.2 11.8 84 102 A P + 0 0 52 0, 0.0 2,-0.3 0, 0.0 104,-0.2 -0.134 70.0 164.0 -48.6 131.9 -79.3 4.3 10.7 85 103 A R - 0 0 81 102,-0.5 102,-0.3 -6,-0.0 -6,-0.2 -0.930 25.6-139.7-153.8 124.4 -78.1 1.4 8.6 86 104 A G - 0 0 11 100,-0.5 99,-0.2 157,-0.4 2,-0.2 -0.061 28.2-100.8 -73.8-177.7 -75.0 1.1 6.5 87 105 A L - 0 0 6 97,-2.7 5,-0.1 1,-0.1 -1,-0.1 -0.635 43.5 -78.2-106.3 164.5 -74.7 -0.5 3.1 88 106 A E >> - 0 0 86 -2,-0.2 4,-1.5 1,-0.1 3,-1.0 -0.392 47.0-125.5 -57.7 128.9 -73.5 -3.9 1.9 89 107 A L H 3> S+ 0 0 27 1,-0.3 4,-2.3 2,-0.3 5,-0.2 0.783 109.1 57.5 -52.7 -34.3 -69.7 -3.6 1.9 90 108 A N H 3> S+ 0 0 98 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.909 110.4 46.8 -62.9 -37.0 -69.3 -4.6 -1.8 91 109 A L H <> S+ 0 0 39 -3,-1.0 4,-2.0 2,-0.2 -2,-0.3 0.789 108.3 55.2 -72.4 -29.5 -71.6 -1.8 -2.5 92 110 A V H X S+ 0 0 0 -4,-1.5 4,-1.5 1,-0.2 -2,-0.2 0.871 109.5 46.6 -72.4 -35.1 -69.6 0.5 -0.2 93 111 A K H X S+ 0 0 22 -4,-2.3 4,-1.3 -5,-0.2 -2,-0.2 0.829 111.6 53.0 -74.7 -30.8 -66.4 -0.2 -2.1 94 112 A Y H X S+ 0 0 103 -4,-1.5 4,-1.8 -5,-0.2 -2,-0.2 0.972 111.9 41.0 -68.6 -55.2 -68.1 0.3 -5.5 95 113 A F H X S+ 0 0 3 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.877 114.7 52.7 -60.5 -40.9 -69.6 3.8 -4.8 96 114 A Q H X S+ 0 0 0 -4,-1.5 4,-1.8 -5,-0.2 -1,-0.2 0.857 106.9 55.8 -63.6 -33.5 -66.4 4.9 -3.1 97 115 A W H X S+ 0 0 47 -4,-1.3 4,-1.4 2,-0.2 -2,-0.2 0.908 109.0 44.3 -65.0 -43.4 -64.6 3.7 -6.2 98 116 A Q H X S+ 0 0 7 -4,-1.8 4,-2.7 1,-0.2 5,-0.3 0.909 110.9 54.6 -68.2 -42.3 -66.7 5.9 -8.5 99 117 A L H X S+ 0 0 2 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.851 111.7 43.1 -60.7 -38.8 -66.4 8.9 -6.2 100 118 A L H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 -1,-0.2 0.815 112.1 56.3 -77.5 -27.4 -62.6 8.8 -6.2 101 119 A Q H X S+ 0 0 43 -4,-1.4 4,-1.5 -5,-0.2 -2,-0.2 0.962 112.8 38.3 -67.2 -53.0 -62.6 8.2 -9.9 102 120 A G H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.894 120.4 46.9 -65.6 -40.5 -64.6 11.2 -10.8 103 121 A L H X S+ 0 0 0 -4,-1.7 4,-2.8 -5,-0.3 5,-0.3 0.919 105.5 59.2 -67.3 -41.7 -62.8 13.3 -8.1 104 122 A A H X S+ 0 0 24 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.903 106.4 51.1 -53.4 -37.9 -59.5 12.0 -9.2 105 123 A F H X S+ 0 0 61 -4,-1.5 4,-1.4 2,-0.2 -1,-0.2 0.953 107.1 51.1 -65.5 -49.9 -60.4 13.5 -12.6 106 124 A C H ><>S+ 0 0 0 -4,-2.0 5,-1.5 1,-0.2 3,-0.8 0.939 109.6 50.0 -52.4 -51.6 -61.3 16.9 -11.1 107 125 A H H ><5S+ 0 0 26 -4,-2.8 3,-1.8 1,-0.3 -1,-0.2 0.860 104.5 57.7 -60.1 -34.5 -58.0 17.2 -9.2 108 126 A E H 3<5S+ 0 0 121 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.827 106.7 49.3 -64.4 -31.6 -56.0 16.3 -12.4 109 127 A N T <<5S- 0 0 13 -4,-1.4 -1,-0.3 -3,-0.8 32,-0.2 0.284 124.2-110.9 -88.7 10.2 -57.6 19.3 -14.1 110 128 A K T < 5S+ 0 0 88 -3,-1.8 31,-1.1 1,-0.2 30,-0.9 0.951 74.1 135.0 58.6 55.0 -56.7 21.3 -11.0 111 129 A I E < -H 139 0C 0 -5,-1.5 2,-0.4 28,-0.3 28,-0.2 -0.997 41.0-155.2-135.4 128.3 -60.2 21.7 -9.8 112 130 A L E -H 138 0C 0 26,-2.1 26,-1.3 -2,-0.4 58,-0.1 -0.869 8.9-153.0-105.4 137.8 -61.5 21.3 -6.3 113 131 A H - 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0 0 17 -3,-3.0 2,-0.3 -4,-0.3 4,-0.1 -0.996 68.3-144.7-131.6 135.3 -71.8 -2.2 11.1 245 263 A K S S+ 0 0 145 -2,-0.4 -4,-0.0 2,-0.1 -59,-0.0 -0.188 77.5 68.6 -93.7 42.3 -72.8 -5.8 10.5 246 264 A E S S- 0 0 56 -2,-0.3 2,-0.6 -5,-0.2 -2,-0.1 -0.960 94.1 -97.5-156.3 136.5 -69.7 -6.9 8.7 247 265 A P - 0 0 115 0, 0.0 2,-1.1 0, 0.0 -2,-0.1 -0.421 36.9-132.2 -60.4 105.7 -66.1 -7.4 10.0 248 266 A L - 0 0 7 -2,-0.6 -7,-0.1 -4,-0.1 5,-0.1 -0.450 32.7-142.8 -61.6 97.8 -64.3 -4.1 9.0 249 267 A D > - 0 0 66 -2,-1.1 4,-1.2 1,-0.1 -1,-0.1 0.118 19.4 -97.6 -56.7 177.3 -61.3 -5.8 7.5 250 268 A G H >> S+ 0 0 57 2,-0.2 4,-2.2 1,-0.2 3,-0.7 0.987 116.1 49.6 -63.3 -62.8 -57.8 -4.4 7.8 251 269 A N H 3> S+ 0 0 73 1,-0.3 4,-3.7 2,-0.2 5,-0.3 0.875 105.8 56.0 -44.1 -54.3 -57.4 -2.6 4.5 252 270 A L H 3> S+ 0 0 1 1,-0.2 4,-3.4 2,-0.2 -1,-0.3 0.906 111.8 46.6 -47.2 -45.0 -60.7 -0.8 4.7 253 271 A M H > S- 0 0 18 1,-0.2 3,-2.6 -104,-0.1 4,-0.6 -0.564 77.3-148.1 -70.6 110.0 -52.7 17.1 8.7 264 282 A P G >4 S+ 0 0 14 0, 0.0 3,-3.6 0, 0.0 -1,-0.2 0.917 96.4 57.0 -42.1 -59.0 -53.7 17.9 5.1 265 283 A D G 34 S+ 0 0 146 1,-0.3 -2,-0.1 -3,-0.1 -50,-0.0 0.612 105.2 53.7 -51.3 -16.6 -50.3 17.0 3.8 266 284 A M G <4 S+ 0 0 89 -3,-2.6 -1,-0.3 2,-0.1 2,-0.2 0.516 85.0 105.7 -96.8 -8.6 -50.7 13.6 5.4 267 285 A R S << S- 0 0 17 -3,-3.6 -8,-0.2 -4,-0.6 -9,-0.1 -0.519 77.6-114.1 -74.6 141.0 -54.0 13.0 3.7 268 286 A L - 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0 0 1 -4,-2.4 -251,-0.1 1,-0.1 3,-0.1 -0.728 55.7-148.3-115.0 159.9 -62.5 34.2 -8.0 398 136 B D S S+ 0 0 8 -253,-0.5 2,-0.6 -2,-0.3 -1,-0.1 0.901 95.6 55.2 -81.2 -44.8 -63.5 33.6 -4.4 399 137 B S S S+ 0 0 14 -254,-0.4 2,-0.3 514,-0.0 -1,-0.2 -0.803 75.9 145.4 -91.1 119.6 -63.8 37.3 -3.5 400 138 B F - 0 0 61 -2,-0.6 -49,-0.0 -3,-0.1 2,-0.0 -0.995 33.1-139.3-154.1 150.9 -66.1 39.1 -5.9 401 139 B S - 0 0 13 -2,-0.3 2,-0.3 -51,-0.1 505,-0.1 -0.100 31.2 -86.3 -96.6-163.9 -68.7 41.9 -5.9 402 140 B T > - 0 0 35 1,-0.1 4,-2.2 -2,-0.0 3,-0.3 -0.702 34.8-114.8-103.7 158.4 -72.1 42.6 -7.5 403 141 B N H > S+ 0 0 0 -378,-0.3 4,-3.7 -2,-0.3 -377,-0.2 0.882 115.9 58.0 -60.7 -39.8 -72.6 44.0 -10.9 404 142 B A H > S+ 0 0 26 -379,-3.2 4,-2.1 2,-0.2 -1,-0.2 0.866 107.1 47.7 -59.8 -37.7 -74.2 47.1 -9.5 405 143 B H H > S+ 0 0 15 -3,-0.3 4,-2.5 -380,-0.3 5,-0.2 0.961 115.3 45.3 -64.3 -51.6 -71.0 47.8 -7.5 406 144 B Y H X S+ 0 0 8 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.867 111.2 53.4 -56.9 -43.6 -68.9 47.2 -10.6 407 145 B A H X>S+ 0 0 2 -4,-3.7 5,-2.6 2,-0.2 4,-1.6 0.917 109.4 49.2 -60.1 -43.9 -71.2 49.3 -12.7 408 146 B K H <5S+ 0 0 54 -4,-2.1 -2,-0.2 2,-0.2 3,-0.2 0.923 114.6 42.3 -62.3 -50.0 -70.8 52.2 -10.3 409 147 B V H <5S+ 0 0 1 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.917 115.7 52.1 -64.1 -40.2 -67.1 52.1 -10.2 410 148 B G H <5S- 0 0 4 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.718 113.9-116.5 -69.2 -24.7 -67.1 51.6 -13.9 411 149 B G T <5S+ 0 0 25 -4,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.822 74.2 101.7 92.9 33.8 -69.2 54.5 -14.6 412 150 B V S - 0 0 70 -2,-0.3 4,-1.9 1,-0.1 3,-0.3 -0.432 38.5-123.0 -69.5 140.9 -75.9 51.8 -15.3 414 152 B C H >> S+ 0 0 11 1,-0.3 4,-2.7 2,-0.2 3,-0.5 0.938 114.4 50.5 -51.6 -52.5 -76.2 48.4 -13.8 415 153 B H H 3> S+ 0 0 109 1,-0.3 4,-2.0 2,-0.2 5,-0.4 0.886 106.4 57.5 -52.8 -39.3 -78.5 47.1 -16.5 416 154 B E H 3> S+ 0 0 44 -3,-0.3 4,-1.4 1,-0.2 -1,-0.3 0.896 111.6 41.7 -57.3 -42.1 -75.9 48.5 -19.0 417 155 B L H X S+ 0 0 10 -4,-2.7 4,-2.3 -5,-0.2 3,-1.6 0.996 112.8 35.2 -56.0 -68.1 -75.7 43.3 -17.1 419 157 B I H 3X S+ 0 0 53 -4,-2.0 4,-2.7 1,-0.3 5,-0.2 0.854 113.3 60.6 -56.1 -36.2 -76.4 42.9 -20.8 420 158 B L H 3X S+ 0 0 2 -4,-1.4 4,-1.1 -5,-0.4 -1,-0.3 0.815 112.2 39.6 -61.5 -26.8 -72.8 43.9 -21.5 421 159 B E H X S+ 0 0 22 -4,-2.7 4,-2.2 2,-0.2 3,-0.8 0.971 110.0 45.7 -56.5 -62.2 -73.4 39.3 -24.3 424 162 B F H 3< S+ 0 0 0 -4,-1.1 4,-0.3 1,-0.3 -1,-0.2 0.858 110.8 54.9 -52.6 -39.6 -69.7 38.5 -23.8 425 163 B L H >X>S+ 0 0 0 -4,-1.9 5,-1.9 1,-0.2 4,-0.7 0.848 108.8 48.0 -65.7 -32.2 -70.7 35.3 -22.0 426 164 B K H X<5S+ 0 0 68 -4,-1.6 3,-0.5 -3,-0.8 -2,-0.2 0.900 106.0 56.1 -74.4 -41.0 -72.7 34.1 -24.9 427 165 B R T 3<5S+ 0 0 82 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.475 117.6 36.0 -70.7 1.3 -70.1 34.9 -27.5 428 166 B V T X45S- 0 0 0 -3,-0.6 3,-0.6 -4,-0.3 -1,-0.2 0.443 101.6-126.0-129.4 -9.1 -67.7 32.7 -25.6 429 167 B N T <<5S- 0 0 44 -4,-0.7 -3,-0.2 -3,-0.5 -4,-0.1 0.905 70.2 -63.2 58.5 44.6 -70.0 29.9 -24.4 430 168 B Y T 3 - 0 0 1 -2,-1.5 3,-3.2 32,-0.1 4,-0.4 -0.953 60.6-100.2-126.6 146.4 -56.1 27.3 -20.2 436 174 B D T 3 S+ 0 0 47 30,-2.9 3,-0.3 -2,-0.4 4,-0.3 0.747 119.4 31.8 -29.2 -56.7 -53.8 26.3 -23.2 437 175 B H T 3> S+ 0 0 57 1,-0.2 4,-2.5 2,-0.1 -1,-0.3 0.251 90.2 104.0 -94.6 13.9 -56.5 24.9 -25.5 438 176 B N H <> S+ 0 0 0 -3,-3.2 4,-3.0 1,-0.2 5,-0.2 0.958 78.5 48.9 -59.4 -55.7 -59.3 27.1 -24.4 439 177 B I H > S+ 0 0 38 -4,-0.4 4,-3.4 -3,-0.3 -1,-0.2 0.901 114.5 46.5 -51.6 -46.9 -59.4 29.5 -27.4 440 178 B T H > S+ 0 0 84 -4,-0.3 4,-3.0 2,-0.2 5,-0.2 0.975 112.6 47.5 -60.0 -58.1 -59.3 26.6 -29.8 441 179 B L H X S+ 0 0 64 -4,-2.5 4,-3.3 1,-0.2 -1,-0.2 0.887 114.0 50.2 -50.1 -41.6 -62.0 24.6 -28.1 442 180 B C H X S+ 0 0 0 -4,-3.0 4,-0.9 -5,-0.3 -1,-0.2 0.958 109.4 50.0 -62.5 -51.3 -64.0 27.9 -28.0 443 181 B S H >< S+ 0 0 45 -4,-3.4 3,-1.5 -5,-0.2 -2,-0.2 0.965 116.1 42.6 -48.6 -61.3 -63.4 28.4 -31.7 444 182 B I H 3< S+ 0 0 103 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.969 108.2 57.4 -48.8 -64.4 -64.6 24.9 -32.5 445 183 B E H 3< S+ 0 0 60 -4,-3.3 -1,-0.3 -5,-0.2 -2,-0.2 0.634 88.5 107.8 -46.6 -14.2 -67.5 25.0 -30.1 446 184 B Q S << S- 0 0 49 -3,-1.5 2,-0.5 -4,-0.9 -3,-0.0 0.002 92.7 -81.2 -58.8 173.0 -68.7 28.1 -32.0 447 185 B K - 0 0 198 1,-0.0 2,-0.5 2,-0.0 -1,-0.2 -0.693 57.9-141.6 -76.3 125.4 -71.7 27.8 -34.3 448 186 B Q - 0 0 133 -2,-0.5 2,-0.5 -3,-0.1 -4,-0.0 -0.810 7.2-132.5-106.3 134.1 -70.3 26.3 -37.5 449 187 B K - 0 0 177 -2,-0.5 2,-0.1 1,-0.1 -1,-0.0 -0.605 33.3-119.8 -72.4 120.8 -71.1 27.0 -41.1 450 188 B K - 0 0 186 -2,-0.5 2,-0.3 4,-0.0 3,-0.1 -0.416 34.4-157.2 -62.1 136.5 -71.7 23.7 -42.9 451 189 B F - 0 0 101 1,-0.2 3,-0.1 -2,-0.1 4,-0.1 -0.841 24.1-129.5-116.6 156.3 -69.1 23.5 -45.8 452 190 B V S S+ 0 0 147 -2,-0.3 2,-0.5 1,-0.2 -1,-0.2 0.985 102.9 39.8 -64.9 -56.7 -69.1 21.4 -49.0 453 191 B I S S- 0 0 135 -3,-0.1 -1,-0.2 1,-0.1 0, 0.0 -0.820 99.5-114.4 -95.3 129.0 -65.7 20.0 -48.3 454 192 B D - 0 0 129 -2,-0.5 2,-0.2 1,-0.1 -2,-0.1 -0.222 31.3-137.0 -60.1 149.6 -64.9 19.1 -44.6 455 193 B K 0 0 134 1,-0.1 -1,-0.1 -4,-0.1 -4,-0.0 -0.589 360.0 360.0-106.8 169.4 -62.3 21.1 -42.8 456 194 B N 0 0 215 -2,-0.2 -1,-0.1 0, 0.0 -2,-0.0 0.142 360.0 360.0 63.9 360.0 -59.4 20.2 -40.5 457 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 458 205 B S 0 0 129 0, 0.0 -21,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 143.2 -57.1 16.3 -23.0 459 206 B Y > + 0 0 18 3,-0.1 3,-1.2 6,-0.0 6,-0.2 0.264 360.0 137.7-115.0 9.3 -54.5 18.1 -20.9 460 207 B V T 3 S+ 0 0 86 1,-0.3 -351,-0.0 5,-0.1 -352,-0.0 -0.252 78.1 8.0 -58.0 142.7 -52.7 15.0 -19.7 461 208 B N T 3 S+ 0 0 160 1,-0.2 -1,-0.3 4,-0.0 3,-0.1 0.150 97.4 133.1 71.2 -22.5 -48.8 15.3 -19.7 462 209 B R X - 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0 0 26 -3,-3.8 -3,-0.1 1,-0.1 16,-0.1 -0.561 64.9-116.8 -76.6 129.7 -78.9 66.2 -13.1 663 176 C A >> - 0 0 0 -2,-0.3 4,-2.6 14,-0.1 3,-0.9 -0.411 17.9-126.8 -67.1 136.7 -76.0 68.7 -13.4 664 177 C P H 3> S+ 0 0 0 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.824 108.5 53.3 -51.9 -40.3 -74.1 68.7 -16.8 665 178 C D H 34>S+ 0 0 4 102,-0.3 5,-1.9 2,-0.2 8,-0.1 0.822 110.6 47.7 -69.2 -29.1 -70.7 68.3 -15.3 666 179 C V H X45S+ 0 0 6 -3,-0.9 3,-2.8 3,-0.2 4,-0.3 0.971 108.3 54.1 -71.8 -54.5 -72.0 65.3 -13.3 667 180 C L H 3<5S+ 0 0 15 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.819 104.8 56.8 -45.9 -36.0 -73.5 63.8 -16.5 668 181 C M T 3<5S- 0 0 2 -4,-1.7 60,-2.0 -5,-0.2 61,-0.4 0.113 131.1 -94.4 -85.5 21.2 -70.1 64.2 -18.1 669 182 C G T < 5 + 0 0 22 -3,-2.8 2,-0.4 1,-0.2 -3,-0.2 0.704 60.4 170.7 78.8 23.7 -68.6 62.0 -15.3 670 183 C S < + 0 0 9 -5,-1.9 -1,-0.2 -4,-0.3 3,-0.2 -0.535 12.3 173.6 -72.5 122.4 -67.3 64.6 -12.8 671 184 C R S S+ 0 0 74 -2,-0.4 -20,-0.4 1,-0.1 -1,-0.1 -0.145 74.1 64.4-115.8 32.6 -66.2 62.9 -9.6 672 185 C T S S+ 0 0 125 -22,-0.1 -1,-0.1 2,-0.0 -2,-0.1 0.215 73.5 122.8-135.7 8.5 -64.9 66.1 -8.1 673 186 C Y + 0 0 11 -3,-0.2 2,-0.1 1,-0.1 -22,-0.1 -0.054 31.3 170.0 -67.8 174.2 -68.2 68.1 -7.8 674 187 C S > - 0 0 54 0, 0.0 3,-1.6 0, 0.0 4,-0.3 -0.434 58.4 -12.4-150.0-135.5 -69.5 69.6 -4.6 675 188 C T T >> S+ 0 0 42 1,-0.3 3,-1.6 2,-0.1 4,-0.8 0.823 115.6 79.8 -48.9 -36.0 -72.2 71.9 -3.3 676 189 C S H >> S+ 0 0 15 1,-0.3 4,-1.8 2,-0.2 3,-0.6 0.763 77.0 67.5 -44.7 -40.6 -72.8 73.0 -6.9 677 190 C I H <> S+ 0 0 1 -3,-1.6 4,-1.3 1,-0.2 -1,-0.3 0.796 100.2 47.6 -57.6 -34.3 -74.9 70.0 -7.9 678 191 C D H <> S+ 0 0 0 -3,-1.6 4,-2.4 -4,-0.3 -1,-0.2 0.754 105.6 59.4 -79.5 -24.6 -77.9 70.9 -5.7 679 192 C I H X S+ 0 0 0 -4,-2.4 3,-2.6 -5,-0.2 4,-1.3 0.965 109.2 46.3 -59.1 -85.8 -86.8 73.2 -10.0 686 199 C L H >X S+ 0 0 0 -4,-1.8 4,-1.5 1,-0.3 3,-1.3 0.736 111.0 54.0 -18.4 -65.6 -87.6 76.9 -9.8 687 200 C A H 3X S+ 0 0 1 -4,-2.2 4,-1.8 1,-0.3 5,-0.5 0.860 106.4 51.3 -45.6 -45.8 -88.0 77.2 -13.5 688 201 C E H S- 0 0 63 1,-0.0 4,-1.9 -42,-0.0 -1,-0.5 -0.927 84.0 -99.2-166.9 143.2 -80.9 59.2 -21.1 701 214 C D H > S+ 0 0 44 -2,-0.3 4,-1.2 1,-0.2 5,-0.1 0.725 122.2 55.7 -35.4 -30.0 -77.6 60.7 -20.1 702 215 C E H > S+ 0 0 95 2,-0.2 4,-1.2 3,-0.1 -1,-0.2 0.987 113.8 33.3 -72.4 -60.7 -76.9 61.2 -23.8 703 216 C E H >> S+ 0 0 71 -3,-0.4 4,-2.1 1,-0.2 3,-1.5 0.969 115.2 58.3 -59.2 -55.5 -80.0 63.3 -24.7 704 217 C Q H 3X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.3 5,-0.3 0.867 103.6 52.0 -40.5 -52.2 -80.2 65.1 -21.3 705 218 C L H 3X S+ 0 0 28 -4,-1.2 4,-0.6 -5,-0.3 -1,-0.3 0.873 113.2 48.1 -56.6 -34.8 -76.7 66.4 -21.7 706 219 C K H XX S+ 0 0 96 -3,-1.5 4,-2.7 -4,-1.2 3,-1.7 0.981 104.8 53.8 -71.8 -57.2 -77.9 67.7 -25.1 707 220 C L H 3X S+ 0 0 39 -4,-2.1 4,-0.9 1,-0.3 -2,-0.2 0.868 108.7 50.2 -45.8 -45.3 -81.2 69.4 -24.2 708 221 C I H 3X S+ 0 0 0 -4,-1.8 4,-0.7 -5,-0.2 -1,-0.3 0.782 113.2 48.7 -67.8 -22.4 -79.5 71.5 -21.6 709 222 C F H - 0 0 88 1,-0.2 4,-2.6 -2,-0.1 3,-0.3 -0.691 9.3-158.5 -83.6 96.2 -66.8 77.4 -23.2 717 230 C E T 4 S+ 0 0 85 -2,-1.2 -1,-0.2 1,-0.2 7,-0.1 0.581 88.4 55.6 -52.5 -13.8 -63.3 75.8 -22.6 718 231 C S T 4 S+ 0 0 93 2,-0.2 -1,-0.2 1,-0.1 -2,-0.0 0.930 114.2 34.5 -84.2 -53.3 -61.9 79.3 -21.8 719 232 C L T 4 S+ 0 0 126 -3,-0.3 -2,-0.2 1,-0.3 3,-0.1 0.756 136.5 26.3 -71.3 -26.4 -64.3 80.2 -19.0 720 233 C W >< + 0 0 11 -4,-2.6 3,-0.6 1,-0.1 -1,-0.3 -0.640 65.7 160.1-141.0 76.7 -64.5 76.6 -17.8 721 234 C P G > + 0 0 69 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.767 67.4 77.2 -66.6 -30.6 -61.3 74.7 -18.8 722 235 C S G > S+ 0 0 63 1,-0.3 3,-2.8 2,-0.2 4,-0.4 0.915 78.5 74.0 -46.8 -47.4 -61.9 72.1 -16.2 723 236 C V G X S+ 0 0 0 -3,-0.6 3,-2.6 1,-0.3 -1,-0.3 0.794 81.3 68.3 -34.9 -45.5 -64.5 70.6 -18.6 724 237 C T G < S+ 0 0 55 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.405 97.0 56.7 -61.8 5.7 -61.7 69.3 -20.8 725 238 C K G < S+ 0 0 175 -3,-2.8 -1,-0.3 -4,-0.1 -2,-0.2 0.503 76.7 110.3-112.6 -13.1 -60.9 66.9 -17.9 726 239 C L X - 0 0 15 -3,-2.6 3,-1.3 -4,-0.4 -57,-0.2 -0.449 69.2-135.6 -66.4 135.5 -64.3 65.3 -17.7 727 240 C P T 3 S+ 0 0 25 0, 0.0 -391,-2.6 0, 0.0 -390,-0.7 0.772 105.7 39.9 -62.7 -27.5 -64.2 61.6 -18.8 728 241 C K T 3 S+ 0 0 99 -60,-2.0 2,-0.4 -393,-0.2 -59,-0.2 0.278 84.9 124.5-105.3 9.4 -67.4 62.0 -20.9 729 242 C Y < - 0 0 14 -3,-1.3 -393,-0.1 -61,-0.4 -64,-0.0 -0.585 61.2-135.9 -72.1 123.6 -66.5 65.5 -22.1 730 243 C N > - 0 0 32 -2,-0.4 3,-1.0 1,-0.2 -1,-0.1 -0.705 7.6-153.6 -85.9 100.4 -66.7 65.4 -25.9 731 244 C P T 3 S+ 0 0 62 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.610 89.7 28.5 -46.7 -15.5 -63.5 67.4 -27.0 732 245 C N T 3 S+ 0 0 125 2,-0.0 2,-0.1 3,-0.0 -3,-0.0 -0.342 76.7 151.1-151.6 66.3 -65.4 68.2 -30.2 733 246 C I < - 0 0 41 -3,-1.0 2,-2.0 1,-0.1 -19,-0.0 -0.354 66.0 -77.8 -87.1 174.3 -69.1 68.4 -30.1 734 247 C Q - 0 0 162 -2,-0.1 -1,-0.1 1,-0.0 -2,-0.0 -0.548 57.9-141.8 -74.6 83.2 -71.3 70.6 -32.3 735 248 C Q - 0 0 142 -2,-2.0 -22,-0.0 1,-0.1 -19,-0.0 -0.037 24.7-167.9 -45.6 148.5 -70.6 73.8 -30.4 736 249 C R - 0 0 61 -27,-0.0 -22,-0.7 -24,-0.0 -1,-0.1 -0.912 24.5-106.4-142.2 166.5 -73.6 76.1 -30.2 737 250 C P - 0 0 107 0, 0.0 2,-0.4 0, 0.0 -24,-0.2 -0.839 44.2-107.9 -97.1 127.5 -74.8 79.6 -29.3 738 251 C P - 0 0 97 0, 0.0 -26,-0.1 0, 0.0 -27,-0.1 -0.371 34.6-136.5 -60.3 113.9 -76.7 80.0 -26.0 739 252 C R - 0 0 139 -2,-0.4 2,-0.8 -29,-0.3 3,-0.1 -0.070 36.9 -79.7 -60.8 168.8 -80.4 80.6 -26.7 740 253 C D > - 0 0 78 1,-0.2 4,-1.0 2,-0.0 -1,-0.1 -0.659 33.4-155.9 -80.5 110.0 -82.3 83.3 -24.7 741 254 C L H > S+ 0 0 3 -2,-0.8 4,-1.7 1,-0.2 5,-0.3 0.838 94.5 52.0 -51.5 -36.9 -83.2 81.8 -21.4 742 255 C R H >> S+ 0 0 86 1,-0.2 4,-2.3 2,-0.2 3,-0.6 0.991 104.9 50.7 -63.1 -62.9 -86.0 84.4 -21.2 743 256 C Q H 34 S+ 0 0 128 1,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.624 111.0 55.8 -51.8 -13.5 -87.6 83.7 -24.6 744 257 C V H 3< S+ 0 0 31 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.901 122.0 19.8 -87.1 -47.3 -87.6 80.1 -23.5 745 258 C L H X< S+ 0 0 3 -4,-1.7 3,-3.2 -3,-0.6 -2,-0.2 0.920 112.4 70.1 -87.5 -53.5 -89.5 80.4 -20.2 746 259 C Q G >< S+ 0 0 35 -4,-2.3 3,-2.8 1,-0.3 5,-0.3 0.803 89.1 62.4 -31.2 -59.0 -91.3 83.7 -20.7 747 260 C P G 3 S+ 0 0 102 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.561 103.5 53.2 -53.0 -5.7 -93.7 82.4 -23.4 748 261 C H G < S+ 0 0 66 -3,-3.2 2,-0.4 3,-0.1 -157,-0.3 0.173 95.4 81.7-116.8 19.2 -95.1 80.0 -20.8 749 262 C T < - 0 0 25 -3,-2.8 2,-0.5 -4,-0.1 -58,-0.1 -0.982 63.6-149.1-131.5 127.3 -95.9 82.5 -18.1 750 263 C K S S+ 0 0 157 -2,-0.4 -4,-0.0 -158,-0.1 -1,-0.0 -0.048 87.2 59.3 -80.1 34.2 -99.0 84.7 -17.7 751 264 C E S S- 0 0 66 -2,-0.5 -3,-0.1 -5,-0.3 -2,-0.1 -0.964 89.4-106.4-158.7 144.3 -96.7 87.2 -15.9 752 265 C P - 0 0 105 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 0.048 26.7-132.0 -63.0-178.1 -93.5 89.2 -16.9 753 266 C L - 0 0 1 -4,-0.0 5,-0.2 4,-0.0 -7,-0.1 -0.708 12.9-147.7-144.8 89.7 -90.1 88.3 -15.6 754 267 C D >> - 0 0 86 -2,-0.3 3,-3.8 1,-0.2 4,-1.1 -0.301 26.9-117.9 -58.1 134.3 -87.9 91.1 -14.3 755 268 C G H 3> S+ 0 0 43 1,-0.3 4,-2.7 2,-0.2 5,-0.3 0.663 112.1 77.6 -47.2 -17.7 -84.2 90.5 -14.8 756 269 C N H 34 S+ 0 0 65 1,-0.2 27,-0.4 2,-0.2 -1,-0.3 0.621 104.7 36.2 -69.0 -9.5 -84.0 90.6 -11.0 757 270 C L H <> S+ 0 0 1 -3,-3.8 4,-3.6 2,-0.1 -2,-0.2 0.720 116.7 50.1-106.2 -41.0 -85.4 87.0 -11.4 758 271 C M H X S+ 0 0 8 -4,-1.1 4,-1.6 2,-0.2 -2,-0.2 0.737 108.0 56.2 -71.4 -23.8 -83.6 86.1 -14.6 759 272 C D H X S+ 0 0 99 -4,-2.7 4,-1.0 -5,-0.3 -1,-0.2 0.921 113.7 39.3 -71.8 -43.9 -80.4 87.3 -13.0 760 273 C F H >> S+ 0 0 0 -5,-0.3 3,-2.2 -4,-0.2 4,-1.5 0.991 115.0 52.0 -65.0 -61.7 -81.0 84.9 -10.1 761 274 C L H 3X S+ 0 0 0 -4,-3.6 4,-1.2 1,-0.3 -1,-0.2 0.816 109.8 51.7 -43.5 -37.9 -82.3 82.1 -12.4 762 275 C H H 3< S+ 0 0 78 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.751 104.9 56.4 -74.2 -24.4 -79.1 82.6 -14.4 763 276 C G H << S+ 0 0 13 -3,-2.2 10,-0.7 -4,-1.0 3,-0.4 0.829 108.1 44.5 -77.5 -33.2 -76.8 82.2 -11.4 764 277 C L H < S+ 0 0 1 -4,-1.5 2,-0.7 8,-0.2 -81,-0.2 0.794 109.5 61.6 -78.6 -29.9 -78.1 78.8 -10.3 765 278 C L S < S+ 0 0 4 -4,-1.2 -1,-0.2 -5,-0.3 2,-0.2 -0.373 70.7 138.5 -98.5 57.1 -78.0 77.6 -13.9 766 279 C Q - 0 0 48 -2,-0.7 -3,-0.1 -3,-0.4 6,-0.0 -0.509 48.8-144.0 -90.7 163.3 -74.4 77.8 -14.8 767 280 C L S S+ 0 0 24 -2,-0.2 -102,-0.3 1,-0.1 -1,-0.1 0.847 89.9 61.7 -92.0 -44.7 -72.5 75.1 -16.8 768 281 C N S >> S- 0 0 16 1,-0.2 3,-0.7 2,-0.1 4,-0.6 -0.717 79.7-144.0 -84.2 123.3 -69.3 75.6 -14.9 769 282 C P G >4 S+ 0 0 25 0, 0.0 2,-2.4 0, 0.0 3,-1.5 0.906 96.3 71.6 -51.0 -45.9 -69.8 74.8 -11.2 770 283 C D G 34 S+ 0 0 129 1,-0.3 -2,-0.1 -3,-0.1 -3,-0.0 0.083 101.4 47.9 -61.9 31.3 -67.3 77.5 -10.3 771 284 C M G <4 S+ 0 0 101 -2,-2.4 -1,-0.3 -3,-0.7 -6,-0.1 0.494 84.7 104.1-141.0 -29.4 -70.0 79.9 -11.3 772 285 C R S << S- 0 0 17 -3,-1.5 2,-0.3 -4,-0.6 -8,-0.2 0.014 75.6 -98.9 -58.7 167.7 -73.2 78.8 -9.6 773 286 C L - 0 0 34 -10,-0.7 2,-0.2 -13,-0.1 -1,-0.1 -0.677 31.6-128.9 -88.6 139.3 -74.7 80.5 -6.7 774 287 C S > - 0 0 40 -2,-0.3 4,-2.9 1,-0.1 5,-0.3 -0.579 29.1-109.3 -83.8 153.4 -74.1 79.0 -3.2 775 288 C A H > S+ 0 0 3 1,-0.2 4,-1.5 -2,-0.2 -166,-0.2 0.903 122.2 48.5 -48.0 -42.5 -77.3 78.3 -1.2 776 289 C K H >> S+ 0 0 139 2,-0.2 4,-1.2 1,-0.2 3,-0.7 0.978 111.1 46.6 -61.0 -61.6 -76.1 81.2 1.0 777 290 C Q H >4 S+ 0 0 107 1,-0.3 3,-0.5 2,-0.2 -2,-0.2 0.859 111.3 52.8 -49.4 -44.7 -75.3 83.7 -1.8 778 291 C A H >< S+ 0 0 0 -4,-2.9 3,-0.6 1,-0.2 -1,-0.3 0.854 104.6 55.1 -63.8 -35.2 -78.7 83.0 -3.5 779 292 C L H << S+ 0 0 6 -4,-1.5 2,-0.5 -3,-0.7 -1,-0.2 0.751 106.6 53.3 -68.8 -25.4 -80.6 83.6 -0.2 780 293 C H T << S+ 0 0 115 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.1 -0.541 87.7 120.3-107.3 60.7 -78.9 87.1 -0.1 781 294 C H S X> S- 0 0 15 -3,-0.6 3,-4.0 -2,-0.5 4,-1.4 -0.991 75.2-113.6-130.9 136.6 -79.9 88.1 -3.6 782 295 C P H 3> S+ 0 0 75 0, 0.0 4,-0.5 0, 0.0 -1,-0.1 0.766 112.2 66.5 -31.0 -47.8 -82.1 91.0 -4.8 783 296 C W H 34 S+ 0 0 6 -27,-0.4 3,-0.1 1,-0.2 -26,-0.1 0.753 113.4 32.3 -54.4 -22.7 -84.8 88.7 -6.0 784 297 C F H X4 S+ 0 0 0 -3,-4.0 3,-0.7 -6,-0.2 -1,-0.2 0.759 86.7 102.6-102.2 -32.9 -85.4 87.8 -2.3 785 298 C A H >< + 0 0 53 -4,-1.4 3,-2.4 1,-0.3 -2,-0.1 0.629 63.1 80.7 -21.6 -37.7 -84.5 91.1 -0.6 786 299 C E T 3< S+ 0 0 118 -4,-0.5 -1,-0.3 1,-0.3 -3,-0.1 0.309 83.8 68.3 -62.7 16.3 -88.2 91.8 -0.2 787 300 C Y T < 0 0 76 -3,-0.7 -1,-0.3 1,-0.1 -2,-0.2 0.217 360.0 360.0-117.7 11.2 -87.8 89.5 2.8 788 301 C Y < 0 0 163 -3,-2.4 -1,-0.1 -4,-0.1 -3,-0.0 -0.831 360.0 360.0-128.6 360.0 -85.6 91.7 4.9 789 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 790 17 D G 0 0 112 0, 0.0 208,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 110.4 -31.5 49.9 11.6 791 18 D I - 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0 0 134 0, 0.0 2,-0.3 0, 0.0 49,-0.0 -0.944 360.0-139.9-125.5 113.4 -67.5 39.6 33.2 830 63 D T - 0 0 78 -2,-0.5 2,-0.1 1,-0.1 0, 0.0 -0.504 27.4-127.7 -70.7 128.8 -70.7 40.1 31.1 831 64 D L - 0 0 125 -2,-0.3 2,-0.3 48,-0.0 -1,-0.1 -0.437 18.1-158.5 -82.6 152.1 -70.1 39.1 27.4 832 65 D T > - 0 0 10 -2,-0.1 3,-2.5 46,-0.1 -1,-0.0 -0.859 36.3-103.0-122.7 158.1 -70.9 41.2 24.3 833 66 D R T 3 S+ 0 0 136 1,-0.3 92,-0.1 -2,-0.3 -2,-0.0 0.785 118.2 66.9 -50.2 -32.7 -71.4 40.0 20.7 834 67 D Y T 3 S+ 0 0 0 91,-0.1 54,-0.4 54,-0.0 55,-0.3 0.455 82.5 109.7 -72.7 3.6 -67.9 41.1 19.8 835 68 D H < - 0 0 32 -3,-2.5 2,-0.4 53,-0.1 50,-0.2 -0.574 52.5-159.2 -85.7 143.7 -66.6 38.3 22.1 836 69 D S - 0 0 25 48,-1.1 -2,-0.0 -2,-0.2 -3,-0.0 -0.960 28.6-118.9-122.8 136.0 -64.8 35.2 20.9 837 70 D K S S+ 0 0 160 -2,-0.4 -1,-0.1 2,-0.0 -2,-0.0 0.876 98.4 1.2 -32.9 -62.4 -64.5 31.9 22.9 838 71 D I S S- 0 0 58 -3,-0.1 3,-0.1 46,-0.0 -613,-0.0 -0.806 97.9 -79.1-126.1 167.8 -60.7 32.3 22.8 839 72 D P - 0 0 66 0, 0.0 45,-0.1 0, 0.0 44,-0.1 -0.495 56.7-105.6 -69.2 132.9 -58.3 34.9 21.4 840 73 D P - 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0 0 108 -3,-2.6 3,-1.6 1,-0.1 -1,-0.2 -0.662 68.0 -96.8 -82.2 135.7 -67.2 75.6 14.4 968 210 D P G >> S- 0 0 81 0, 0.0 3,-3.2 0, 0.0 4,-0.6 -0.199 104.7 -2.1 -53.5 139.9 -64.0 74.9 12.3 969 211 D K G >4 S- 0 0 94 1,-0.3 3,-1.6 2,-0.2 -2,-0.0 0.847 124.3 -76.0 43.8 35.9 -64.5 72.6 9.3 970 212 D S G <4 S- 0 0 14 -3,-1.6 -1,-0.3 1,-0.3 -6,-0.1 0.801 93.2 -50.7 47.0 34.2 -68.1 72.5 10.6 971 213 D G G <4 S+ 0 0 0 -3,-3.2 -30,-2.6 1,-0.1 2,-0.6 0.745 103.8 130.5 80.3 24.2 -66.9 70.1 13.3 972 214 D Y << + 0 0 12 -3,-1.6 -1,-0.1 -4,-0.6 -32,-0.1 -0.585 32.9 103.4-109.2 70.7 -65.0 67.7 11.0 973 215 D N > + 0 0 36 -2,-0.6 4,-2.6 2,-0.1 -1,-0.2 0.445 47.9 94.1-124.0 -8.8 -61.7 67.4 12.8 974 216 D V H > S+ 0 0 9 -3,-0.3 4,-3.0 -35,-0.3 5,-0.2 0.908 83.6 51.2 -52.3 -54.0 -61.9 64.0 14.5 975 217 D L H > S+ 0 0 10 -36,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.896 114.0 42.8 -57.4 -44.4 -60.2 61.9 11.8 976 218 D D H > S+ 0 0 26 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.916 112.6 55.3 -66.9 -41.7 -57.2 64.2 11.5 977 219 D K H X S+ 0 0 131 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.934 111.1 43.5 -54.5 -50.6 -57.1 64.4 15.3 978 220 D Y H X S+ 0 0 40 -4,-3.0 4,-2.8 2,-0.2 5,-0.3 0.898 112.2 55.0 -62.3 -41.0 -57.0 60.6 15.6 979 221 D Y H X S+ 0 0 0 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.965 112.6 39.7 -57.8 -57.8 -54.4 60.4 12.8 980 222 D R H X S+ 0 0 107 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.919 113.8 57.5 -60.1 -42.3 -51.9 62.8 14.4 981 223 D R H X S+ 0 0 131 -4,-2.5 4,-2.4 -5,-0.3 3,-0.3 0.949 107.7 43.9 -54.4 -55.2 -52.6 61.3 17.8 982 224 D I H X>S+ 0 0 2 -4,-2.8 4,-2.7 1,-0.3 5,-0.7 0.900 109.8 56.9 -60.5 -37.5 -51.7 57.7 16.9 983 225 D V H X5S+ 0 0 5 -4,-1.9 4,-1.4 -5,-0.3 -1,-0.3 0.906 109.5 48.5 -58.6 -38.7 -48.6 58.9 15.0 984 226 D Q H <5S+ 0 0 121 -4,-2.2 4,-0.3 -3,-0.3 -2,-0.2 0.984 121.0 31.8 -63.6 -61.2 -47.6 60.5 18.3 985 227 D L H <5S+ 0 0 77 -4,-2.4 3,-0.3 1,-0.2 -2,-0.2 0.971 139.3 16.9 -64.8 -56.0 -48.1 57.5 20.6 986 228 D V H <5S+ 0 0 4 -4,-2.7 -3,-0.2 -5,-0.2 -1,-0.2 0.379 87.9 105.2-104.3 7.1 -47.3 54.7 18.1 987 229 D G S <> + 0 0 19 0, 0.0 4,-0.8 0, 0.0 3,-0.6 -0.224 52.0 144.3 -86.9 47.8 -46.5 44.6 17.5 994 236 D D G >4 + 0 0 73 -2,-0.9 3,-0.6 1,-0.2 5,-0.1 0.958 65.7 57.9 -43.8 -70.3 -42.8 44.9 16.7 995 237 D K G 34 S+ 0 0 200 -3,-0.3 3,-0.3 1,-0.2 -1,-0.2 0.754 96.6 67.9 -29.2 -47.2 -42.9 41.7 14.5 996 238 D S G <4 S- 0 0 25 -3,-0.6 2,-0.3 1,-0.2 -1,-0.2 0.929 120.5 -16.4 -45.3 -71.7 -45.5 43.4 12.3 997 239 D R << - 0 0 101 -4,-0.8 2,-1.6 -3,-0.6 -1,-0.2 -0.786 53.3-146.6-149.2 102.4 -43.5 46.2 10.7 998 240 D K + 0 0 114 -3,-0.3 2,-0.3 -2,-0.3 -4,-0.1 -0.468 55.2 130.1 -65.9 90.3 -40.2 47.5 11.8 999 241 D V - 0 0 20 -2,-1.6 2,-0.6 -208,-0.1 -206,-0.2 -0.990 51.2-144.2-150.7 139.6 -40.8 51.1 10.7 1000 242 D D E -r 793 0I 22 -208,-2.7 -206,-1.9 -2,-0.3 2,-0.3 -0.912 21.1-164.4-105.0 117.0 -40.5 54.6 12.2 1001 243 D Y E -r 794 0I 12 -14,-2.9 2,-0.3 -2,-0.6 -206,-0.2 -0.743 7.0-173.3-101.2 151.0 -43.2 57.0 11.1 1002 244 D V E -r 795 0I 13 -208,-1.1 -206,-1.6 -2,-0.3 -18,-0.1 -0.999 23.2-149.1-147.0 143.3 -43.0 60.8 11.6 1003 245 D L - 0 0 25 -2,-0.3 -208,-0.1 -208,-0.2 -2,-0.0 -0.847 38.4-118.1-118.5 94.1 -45.2 63.8 11.1 1004 246 D P S S+ 0 0 77 0, 0.0 2,-4.3 0, 0.0 -1,-0.1 0.310 104.8 55.0 7.5 -79.3 -42.9 66.8 10.2 1005 247 D P S S+ 0 0 130 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 -0.172 103.5 90.1 -70.7 61.4 -43.4 69.4 12.9 1006 248 D N 0 0 76 -2,-4.3 -22,-0.0 1,-0.1 -4,-0.0 -0.976 360.0 360.0-152.1 163.9 -42.4 66.6 15.4 1007 249 D I 0 0 154 -2,-0.3 -1,-0.1 -4,-0.0 -5,-0.0 0.442 360.0 360.0 47.4 360.0 -39.6 64.8 17.3