==== 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 TRANSFERASE 17-SEP-03 1QZT . COMPND 2 MOLECULE: PHOSPHATE ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOSARCINA THERMOPHILA; . AUTHOR P.P.IYER,S.H.LAWRENCE,K.B.LUTHER,K.R.RAJASHANKAR, . 1326 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 54631.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 927 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 121 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 5.4 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 . 4 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 . 76 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 497 37.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 27 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 0 4 0 8 4 0 2 10 4 5 4 0 4 3 0 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 7 13 4 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 . 8 0 0 0 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 4 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 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 V 0 0 171 0, 0.0 2,-0.2 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -46.1 28.6 76.6 4.8 2 3 A T >> - 0 0 66 1,-0.1 4,-1.9 4,-0.0 3,-0.8 -0.467 360.0-121.9 -77.2 145.7 27.6 73.1 6.3 3 4 A F H 3> S+ 0 0 13 1,-0.3 4,-1.5 2,-0.2 5,-0.1 0.883 113.2 50.2 -52.5 -47.1 25.1 70.8 4.6 4 5 A L H 3> S+ 0 0 53 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.823 108.1 54.5 -61.6 -32.5 22.9 70.7 7.7 5 6 A E H <> S+ 0 0 104 -3,-0.8 4,-2.1 2,-0.2 5,-0.2 0.894 105.3 51.3 -70.5 -41.3 22.9 74.5 7.9 6 7 A K H X S+ 0 0 115 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.860 113.1 48.4 -57.2 -40.7 21.7 75.1 4.3 7 8 A I H X S+ 0 0 0 -4,-1.5 4,-3.0 -5,-0.2 -2,-0.2 0.939 109.8 48.3 -69.4 -50.2 18.9 72.7 5.1 8 9 A S H X S+ 0 0 27 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.895 115.2 46.5 -60.0 -40.7 17.8 74.2 8.4 9 10 A E H >X S+ 0 0 105 -4,-2.1 4,-1.4 2,-0.2 3,-0.6 0.950 112.5 48.6 -67.2 -49.5 17.8 77.7 6.8 10 11 A R H 3X S+ 0 0 42 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.902 106.8 59.4 -54.4 -40.6 15.9 76.4 3.7 11 12 A A H 3< S+ 0 0 0 -4,-3.0 5,-0.4 1,-0.2 -1,-0.2 0.853 100.5 54.4 -57.8 -40.5 13.5 74.8 6.1 12 13 A K H << S+ 0 0 80 -4,-1.4 -1,-0.2 -3,-0.6 -2,-0.2 0.897 105.9 51.0 -62.3 -44.6 12.6 78.2 7.8 13 14 A K H < S+ 0 0 182 -4,-1.4 -1,-0.2 -3,-0.1 -2,-0.2 0.764 105.8 69.0 -64.4 -26.8 11.6 79.8 4.4 14 15 A L S < S- 0 0 48 -4,-1.3 2,-0.2 -5,-0.2 311,-0.1 -0.403 80.9-142.1 -81.1 167.1 9.4 76.8 3.8 15 16 A N + 0 0 135 -2,-0.1 2,-0.3 309,-0.1 26,-0.1 -0.542 38.8 152.0-134.4 70.0 6.4 76.4 5.9 16 17 A K - 0 0 22 -5,-0.4 26,-2.2 24,-0.3 2,-0.5 -0.693 36.5-139.0-102.2 154.3 5.9 72.7 6.7 17 18 A T E -a 42 0A 34 -2,-0.3 100,-2.5 24,-0.2 101,-0.9 -0.944 18.8-167.3-111.0 127.3 4.3 71.0 9.7 18 19 A I E -ab 43 118A 0 24,-2.3 26,-1.9 -2,-0.5 2,-0.4 -0.946 13.6-136.1-117.5 137.8 6.0 67.9 11.2 19 20 A A E -ab 44 119A 0 99,-2.3 101,-1.9 -2,-0.4 26,-0.2 -0.751 10.0-162.7 -91.1 137.2 4.5 65.5 13.7 20 21 A L E +a 45 0A 3 24,-2.5 26,-1.9 -2,-0.4 101,-0.1 -0.942 10.2 177.4-117.4 101.7 6.6 64.2 16.7 21 22 A P + 0 0 1 0, 0.0 2,-1.8 0, 0.0 3,-0.1 0.749 62.2 82.8 -79.6 -20.6 5.0 61.1 18.2 22 23 A E > + 0 0 10 98,-0.3 3,-1.3 1,-0.2 6,-0.3 -0.383 48.4 147.2 -82.9 62.0 7.6 60.3 20.9 23 24 A T T 3 + 0 0 4 -2,-1.8 -1,-0.2 23,-0.7 32,-0.1 0.430 60.4 66.7 -80.9 -0.2 6.2 62.8 23.5 24 25 A E T 3 S+ 0 0 123 -3,-0.1 2,-0.4 100,-0.0 -1,-0.3 0.256 88.3 78.5-103.1 11.2 7.2 60.7 26.5 25 26 A D S X> S- 0 0 34 -3,-1.3 4,-1.0 1,-0.1 3,-0.9 -0.983 76.1-142.8-114.0 129.0 10.9 61.3 25.8 26 27 A I H 3> S+ 0 0 86 -2,-0.4 4,-3.1 1,-0.2 3,-0.5 0.861 97.0 65.0 -53.2 -46.8 12.3 64.7 26.8 27 28 A R H 3> S+ 0 0 50 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.798 100.2 53.5 -49.6 -35.5 14.6 65.0 23.9 28 29 A T H <> S+ 0 0 3 -3,-0.9 4,-1.7 -6,-0.3 -1,-0.3 0.901 113.2 41.5 -64.8 -47.3 11.5 65.2 21.7 29 30 A L H X S+ 0 0 0 -4,-1.0 4,-1.8 -3,-0.5 -2,-0.2 0.815 114.4 52.2 -72.0 -32.8 10.1 68.0 23.7 30 31 A Q H X S+ 0 0 61 -4,-3.1 4,-1.9 2,-0.2 -2,-0.2 0.929 111.4 47.0 -66.5 -45.9 13.5 69.7 24.0 31 32 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.870 108.9 54.9 -63.0 -38.5 13.9 69.6 20.2 32 33 A A H X S+ 0 0 0 -4,-1.7 4,-3.1 2,-0.2 5,-0.3 0.923 106.2 52.2 -61.9 -45.4 10.3 70.9 19.7 33 34 A A H X S+ 0 0 16 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.937 113.3 43.4 -56.4 -51.1 11.0 74.0 21.8 34 35 A K H X S+ 0 0 59 -4,-1.9 4,-2.6 2,-0.2 6,-0.3 0.866 113.9 52.1 -63.8 -37.8 14.2 74.8 19.8 35 36 A I H X>S+ 0 0 0 -4,-2.6 5,-1.4 2,-0.2 4,-0.8 0.959 112.9 42.9 -64.8 -51.6 12.3 74.0 16.5 36 37 A L H <5S+ 0 0 15 -4,-3.1 3,-0.3 1,-0.2 -2,-0.2 0.869 117.1 47.7 -61.5 -40.3 9.4 76.4 17.3 37 38 A E H <5S+ 0 0 144 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.945 112.9 47.1 -66.4 -46.8 11.7 79.1 18.6 38 39 A R H <5S- 0 0 83 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.526 108.8-123.1 -77.9 -4.4 14.1 78.9 15.7 39 40 A G T <5 + 0 0 42 -4,-0.8 -3,-0.2 -3,-0.3 -4,-0.1 0.570 68.8 135.0 77.0 10.3 11.2 79.0 13.1 40 41 A I S - 0 0 59 -2,-0.3 4,-1.7 1,-0.1 5,-0.1 -0.731 43.4-152.8 -84.7 130.4 -1.6 63.2 26.2 49 50 A E H > S+ 0 0 104 -2,-0.4 4,-2.4 2,-0.2 5,-0.2 0.874 95.2 50.8 -75.9 -34.6 -1.6 67.0 26.8 50 51 A A H > S+ 0 0 62 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.966 114.1 45.8 -59.9 -51.0 -1.8 66.7 30.5 51 52 A D H > S+ 0 0 70 1,-0.2 4,-0.9 2,-0.2 -2,-0.2 0.792 112.5 51.0 -62.5 -33.6 1.1 64.3 30.5 52 53 A I H >X S+ 0 0 5 -4,-1.7 4,-2.6 2,-0.2 3,-0.6 0.923 106.8 52.1 -72.6 -47.3 3.1 66.5 28.1 53 54 A K H 3X S+ 0 0 126 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.839 111.7 49.3 -55.5 -34.5 2.7 69.7 30.2 54 55 A A H 3< S+ 0 0 86 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.707 116.0 40.8 -78.0 -25.6 4.0 67.7 33.2 55 56 A L H << S+ 0 0 62 -4,-0.9 -2,-0.2 -3,-0.6 -1,-0.2 0.721 111.2 58.3 -90.0 -27.1 7.0 66.3 31.3 56 57 A A H >< S+ 0 0 13 -4,-2.6 3,-0.9 1,-0.2 2,-0.4 0.966 71.5 163.8 -68.0 -57.5 7.8 69.6 29.5 57 58 A G T 3< S+ 0 0 60 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.1 -0.601 71.5 4.1 73.3-123.2 8.3 71.8 32.5 58 59 A D T 3 S+ 0 0 160 -2,-0.4 -1,-0.2 2,-0.1 -2,-0.1 0.628 101.5 115.7 -69.2 -17.0 10.0 75.1 31.7 59 60 A L < - 0 0 43 -3,-0.9 2,-1.1 1,-0.1 -2,-0.1 -0.286 69.6-126.0 -63.3 135.2 10.1 74.4 27.9 60 61 A D + 0 0 109 1,-0.2 3,-0.1 -4,-0.1 -23,-0.1 -0.747 49.5 148.2 -85.3 98.7 8.1 76.8 25.7 61 62 A L > + 0 0 26 -2,-1.1 3,-0.9 1,-0.1 -1,-0.2 0.107 33.3 113.2-112.9 18.4 5.8 74.5 23.7 62 63 A S T 3 S+ 0 0 95 1,-0.3 -1,-0.1 3,-0.0 -2,-0.0 0.805 73.4 56.2 -62.1 -34.0 2.9 77.0 23.5 63 64 A K T 3 S+ 0 0 146 -3,-0.1 -1,-0.3 2,-0.1 -20,-0.2 0.745 94.5 88.1 -70.2 -27.0 3.3 77.4 19.7 64 65 A A S < S- 0 0 16 -3,-0.9 2,-0.5 -22,-0.1 -20,-0.2 -0.209 74.7-126.4 -72.1 164.0 2.9 73.6 19.1 65 66 A K E -c 44 0A 114 -22,-2.9 -20,-2.9 2,-0.0 2,-0.5 -0.947 17.4-149.3-116.2 131.4 -0.3 71.7 18.5 66 67 A I E -c 45 0A 51 -2,-0.5 2,-0.5 -22,-0.2 -20,-0.2 -0.882 13.0-176.3-106.1 130.2 -1.2 68.7 20.7 67 68 A V E -c 46 0A 4 -22,-2.4 -20,-1.9 -2,-0.5 -2,-0.0 -0.988 11.1-157.3-129.8 119.3 -3.3 65.9 19.3 68 69 A D >> - 0 0 22 -2,-0.5 4,-2.3 -22,-0.2 3,-1.9 -0.888 12.6-145.3 -99.7 118.1 -4.3 63.0 21.5 69 70 A P T 34 S+ 0 0 6 0, 0.0 -1,-0.1 0, 0.0 33,-0.1 0.663 97.3 53.7 -57.0 -17.8 -5.1 59.8 19.5 70 71 A K T 34 S+ 0 0 158 31,-0.1 31,-0.0 1,-0.1 -22,-0.0 0.478 121.8 24.8 -99.6 -1.0 -7.8 58.8 21.9 71 72 A T T <4 S+ 0 0 108 -3,-1.9 -1,-0.1 4,-0.0 4,-0.0 0.497 85.3 125.4-132.0 -16.1 -9.8 62.1 21.9 72 73 A Y >< - 0 0 27 -4,-2.3 3,-1.4 1,-0.1 -5,-0.1 -0.145 65.1-124.0 -52.4 141.4 -9.0 63.7 18.5 73 74 A E T > S+ 0 0 148 1,-0.2 3,-0.6 2,-0.1 4,-0.2 0.916 107.6 49.1 -52.7 -50.7 -12.1 64.5 16.4 74 75 A K T >> S+ 0 0 70 1,-0.2 4,-2.0 2,-0.1 3,-0.8 0.324 73.4 117.9 -80.2 7.8 -11.0 62.5 13.3 75 76 A K H <> S+ 0 0 76 -3,-1.4 4,-1.8 1,-0.3 -1,-0.2 0.830 75.8 49.2 -41.3 -46.5 -10.2 59.3 15.2 76 77 A D H <> S+ 0 0 109 -3,-0.6 4,-2.2 1,-0.2 -1,-0.3 0.867 108.3 52.9 -68.6 -37.1 -12.8 57.3 13.4 77 78 A E H <> S+ 0 0 94 -3,-0.8 4,-2.3 1,-0.2 -1,-0.2 0.917 110.2 49.4 -60.0 -44.7 -11.6 58.5 10.0 78 79 A Y H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.835 111.6 47.1 -65.3 -37.5 -8.0 57.4 10.9 79 80 A I H X S+ 0 0 22 -4,-1.8 4,-2.8 -5,-0.2 -1,-0.2 0.921 112.5 49.4 -69.5 -46.6 -9.1 53.9 12.1 80 81 A N H X S+ 0 0 85 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.923 110.8 51.7 -57.6 -46.2 -11.3 53.3 9.0 81 82 A A H X S+ 0 0 25 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.872 111.8 44.6 -59.0 -43.5 -8.4 54.4 6.8 82 83 A F H X S+ 0 0 1 -4,-1.6 4,-2.6 2,-0.2 5,-0.2 0.894 110.7 55.6 -70.3 -38.9 -5.9 52.0 8.5 83 84 A Y H X S+ 0 0 71 -4,-2.8 4,-1.4 1,-0.2 -2,-0.2 0.915 106.9 50.3 -55.6 -44.4 -8.6 49.3 8.3 84 85 A E H < S+ 0 0 109 -4,-2.4 4,-0.3 2,-0.2 -1,-0.2 0.886 114.5 43.5 -61.9 -43.4 -8.9 49.8 4.5 85 86 A L H < S+ 0 0 53 -4,-1.6 3,-0.2 1,-0.2 -1,-0.2 0.888 126.4 31.0 -67.2 -42.6 -5.1 49.5 4.0 86 87 A R H ><>S+ 0 0 60 -4,-2.6 3,-2.1 1,-0.2 5,-1.1 0.470 90.3 105.9-100.7 -1.5 -4.6 46.6 6.3 87 88 A K G ><5S+ 0 0 68 -4,-1.4 3,-0.7 1,-0.3 4,-0.3 0.814 81.1 44.5 -50.7 -47.3 -8.0 44.9 5.8 88 89 A H G 3 5S+ 0 0 155 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.159 101.0 70.1 -90.2 18.1 -6.8 42.1 3.6 89 90 A K G < 5S- 0 0 127 -3,-2.1 -1,-0.2 2,-0.1 -2,-0.2 0.105 125.4 -82.4-120.2 22.2 -3.8 41.2 5.8 90 91 A G T < 5S+ 0 0 62 -3,-0.7 2,-0.6 1,-0.3 -3,-0.1 0.672 85.0 138.2 88.4 20.4 -5.8 39.8 8.7 91 92 A I < - 0 0 33 -5,-1.1 -1,-0.3 -4,-0.3 2,-0.2 -0.883 36.5-157.5-102.9 122.5 -6.6 43.1 10.5 92 93 A T > - 0 0 63 -2,-0.6 4,-2.5 1,-0.1 5,-0.2 -0.479 33.7-104.5 -87.8 164.7 -10.1 43.4 11.8 93 94 A L H > S+ 0 0 79 1,-0.2 4,-1.8 2,-0.2 -10,-0.1 0.874 124.0 50.0 -59.2 -36.7 -11.8 46.8 12.5 94 95 A E H > S+ 0 0 138 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.878 107.8 52.4 -72.4 -38.1 -11.3 46.3 16.2 95 96 A N H > S+ 0 0 65 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.952 108.1 52.8 -56.3 -50.8 -7.6 45.4 15.7 96 97 A A H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.900 105.8 54.3 -51.9 -45.5 -7.2 48.7 13.6 97 98 A A H < S+ 0 0 39 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.947 112.3 42.8 -56.3 -48.9 -8.7 50.6 16.5 98 99 A E H >< S+ 0 0 138 -4,-2.0 3,-1.2 1,-0.2 -2,-0.2 0.909 116.9 45.7 -63.7 -47.7 -6.1 49.2 18.9 99 100 A I H >< S+ 0 0 55 -4,-3.0 3,-1.3 1,-0.3 -1,-0.2 0.825 106.8 60.4 -64.6 -33.8 -3.1 49.6 16.5 100 101 A M T 3< S+ 0 0 5 -4,-3.0 -1,-0.3 -5,-0.3 -2,-0.2 0.457 89.1 73.1 -79.3 4.6 -4.3 53.1 15.7 101 102 A S T < S+ 0 0 58 -3,-1.2 -1,-0.2 -4,-0.2 2,-0.2 0.606 73.0 101.7 -88.2 -14.5 -4.0 54.1 19.4 102 103 A D S <> S- 0 0 63 -3,-1.3 4,-2.2 -4,-0.2 5,-0.2 -0.545 75.3-134.5 -71.5 136.2 -0.2 54.1 19.1 103 104 A Y H > S+ 0 0 58 -2,-0.2 4,-2.3 2,-0.2 5,-0.2 0.903 102.6 48.5 -60.2 -47.5 1.3 57.6 18.8 104 105 A V H > S+ 0 0 5 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.969 112.8 47.8 -56.9 -54.8 3.7 56.8 15.9 105 106 A Y H > S+ 0 0 27 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.890 112.8 50.0 -51.6 -43.3 1.1 55.0 13.9 106 107 A F H X S+ 0 0 1 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.867 109.5 50.4 -66.9 -40.6 -1.3 57.9 14.4 107 108 A A H X S+ 0 0 0 -4,-2.3 4,-1.5 2,-0.2 3,-0.3 0.892 107.8 52.1 -64.0 -44.6 1.2 60.5 13.3 108 109 A V H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.885 108.1 53.1 -61.2 -35.8 2.1 58.6 10.1 109 110 A M H X S+ 0 0 0 -4,-1.6 4,-1.7 -5,-0.2 -1,-0.2 0.777 103.6 57.4 -69.6 -27.4 -1.7 58.5 9.3 110 111 A M H X>S+ 0 0 2 -4,-1.1 6,-1.4 -3,-0.3 5,-0.8 0.847 108.0 45.7 -68.6 -37.5 -1.7 62.3 9.8 111 112 A A H ><5S+ 0 0 0 -4,-1.5 3,-0.5 4,-0.2 -2,-0.2 0.868 111.3 54.7 -69.4 -38.4 0.9 62.7 7.1 112 113 A K H 3<5S+ 0 0 72 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.891 114.1 39.7 -63.3 -37.2 -1.0 60.3 5.0 113 114 A L H 3<5S- 0 0 58 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.416 117.1-103.6-100.8 3.9 -4.2 62.3 5.2 114 115 A G T <<5S+ 0 0 46 -4,-0.6 -3,-0.2 -3,-0.5 -4,-0.1 0.160 90.1 109.9 103.2 -16.5 -2.8 65.9 5.0 115 116 A E S + 0 0 0 -2,-0.3 3,-0.9 184,-0.2 189,-0.1 0.320 50.7 112.8 111.8 -5.2 12.9 56.7 16.5 123 124 A A T 3 S+ 0 0 3 1,-0.2 188,-0.1 187,-0.1 -96,-0.0 0.815 100.5 20.7 -57.0 -30.2 14.6 58.2 19.6 124 125 A A T 3 S+ 0 0 37 2,-0.1 2,-0.3 -99,-0.1 -1,-0.2 -0.224 120.0 67.3-137.5 35.5 12.6 55.8 21.7 125 126 A H S < S- 0 0 50 -3,-0.9 182,-0.1 182,-0.1 5,-0.1 -0.972 83.5-100.9-154.4 147.0 11.7 53.0 19.2 126 127 A S > - 0 0 31 -2,-0.3 4,-1.5 1,-0.1 3,-0.4 -0.306 37.6-112.8 -61.4 153.2 13.6 50.4 17.2 127 128 A S H >> S+ 0 0 71 1,-0.3 4,-2.8 2,-0.2 3,-0.7 0.935 119.4 49.7 -52.2 -52.2 14.3 51.2 13.5 128 129 A S H 3> S+ 0 0 71 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.797 106.4 57.3 -62.6 -26.2 11.9 48.4 12.4 129 130 A D H 34 S+ 0 0 72 -3,-0.4 -1,-0.2 2,-0.2 -2,-0.2 0.820 111.7 42.2 -72.7 -29.5 9.3 49.7 14.7 130 131 A T H >S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 5,-0.5 0.857 116.7 53.3 -64.0 -33.3 3.9 52.1 10.1 134 135 A A H X>S+ 0 0 3 -4,-1.1 4,-1.0 1,-0.2 5,-0.9 0.958 111.9 41.5 -64.9 -53.6 5.7 54.1 7.4 135 136 A V H <5S+ 0 0 51 -4,-3.1 4,-0.2 1,-0.2 -1,-0.2 0.857 120.3 44.9 -61.1 -36.5 5.8 51.2 5.0 136 137 A Q H <5S+ 0 0 38 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.851 126.5 23.7 -77.9 -34.8 2.1 50.2 5.8 137 138 A I H <5S+ 0 0 1 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.1 0.894 127.4 33.6-103.7 -57.8 0.5 53.6 5.8 138 139 A V T < - 0 0 8 9,-3.3 3,-0.9 -2,-0.7 135,-0.1 -0.619 19.3-129.3 -79.1 127.2 34.1 64.3 2.1 156 157 A P T 3 S+ 0 0 74 0, 0.0 2,-2.3 0, 0.0 -1,-0.1 0.891 91.3 15.2 -45.4 -94.3 36.5 67.0 3.6 157 158 A D T 3 S+ 0 0 145 463,-0.1 2,-0.5 2,-0.0 7,-0.1 -0.375 93.6 151.3 -86.6 65.1 39.2 68.2 1.1 158 159 A C < - 0 0 19 -2,-2.3 7,-0.1 -3,-0.9 462,-0.1 -0.856 35.5-179.0-110.1 124.2 37.3 66.7 -1.8 159 160 A E + 0 0 155 -2,-0.5 4,-0.2 4,-0.1 -1,-0.1 0.589 68.2 79.7 -84.3 -16.3 37.5 68.0 -5.4 160 161 A Y S > S+ 0 0 34 459,-0.1 4,-2.0 2,-0.1 5,-0.1 -0.429 83.1 18.1 -93.9 170.3 35.1 65.3 -6.6 161 162 A G T 4 S- 0 0 23 105,-0.5 2,-1.2 87,-0.2 5,-0.2 -0.328 123.2 -29.3 69.0-159.6 31.3 65.2 -6.4 162 163 A S B >4 S-H 165 0C 14 3,-2.0 3,-1.3 1,-0.2 -1,-0.1 -0.761 127.5 -41.7 -88.0 87.4 29.3 68.3 -5.7 163 164 A D T 34 S- 0 0 154 -2,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.929 121.4 -43.8 51.2 49.2 32.1 70.1 -3.7 164 165 A G T 3< S+ 0 0 0 -4,-2.0 -9,-3.3 1,-0.2 2,-0.4 0.493 115.7 121.9 76.7 5.9 32.9 66.8 -1.9 165 166 A T E < +GH 154 162C 19 -3,-1.3 -3,-2.0 -11,-0.3 2,-0.3 -0.795 31.7 164.2-106.4 140.5 29.2 65.9 -1.4 166 167 A F E -G 153 0C 0 -13,-1.8 -13,-2.8 -2,-0.4 2,-0.4 -0.911 32.0-129.4-140.7 168.0 27.5 62.8 -2.6 167 168 A L E -Gi 152 268C 0 100,-1.4 102,-2.8 -2,-0.3 2,-0.4 -0.986 25.5-141.6-117.7 137.5 24.4 60.7 -2.1 168 169 A F E -Gi 151 269C 0 -17,-2.1 2,-1.3 -2,-0.4 -17,-1.0 -0.904 16.0-119.0-110.0 137.9 24.8 57.0 -1.5 169 170 A A E S-Gi 150 270C 2 100,-2.4 102,-0.8 -2,-0.4 -19,-0.2 -0.463 79.6 -36.5 -77.4 80.2 22.3 54.3 -2.9 170 171 A D S S+ 0 0 5 -2,-1.3 -1,-0.3 -21,-0.7 107,-0.2 0.960 70.3 162.1 54.2 85.8 20.7 52.4 -0.2 171 172 A S S S+ 0 0 0 -3,-0.5 -21,-0.2 -22,-0.4 -2,-0.1 0.114 75.9 31.2-108.4 12.2 23.4 52.2 2.3 172 173 A G S S+ 0 0 34 -23,-0.4 -22,-0.1 2,-0.1 3,-0.1 0.394 117.1 17.0-156.0 20.0 20.9 51.3 5.0 173 174 A M S S+ 0 0 46 1,-0.4 2,-0.5 -24,-0.2 -25,-0.1 0.227 90.5 67.8-153.2 -84.9 17.6 49.4 4.1 174 175 A V - 0 0 27 1,-0.2 -1,-0.4 -27,-0.1 100,-0.2 -0.443 58.5-171.7 -62.7 111.0 16.8 47.4 1.0 175 176 A E S S+ 0 0 59 -2,-0.5 99,-2.2 1,-0.2 100,-0.4 0.958 72.1 17.7 -75.1 -56.2 19.2 44.5 1.5 176 177 A M S S- 0 0 91 97,-0.2 -1,-0.2 98,-0.1 97,-0.1 -0.595 78.2-171.8-122.6 73.4 18.9 42.5 -1.8 177 178 A P - 0 0 18 0, 0.0 2,-0.0 0, 0.0 97,-0.0 -0.323 18.9-129.3 -69.2 142.4 17.4 44.8 -4.4 178 179 A S > - 0 0 47 1,-0.1 4,-2.4 47,-0.0 5,-0.2 -0.162 35.9 -89.4 -76.3-179.4 16.5 43.2 -7.7 179 180 A V H > S+ 0 0 43 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.961 132.1 44.4 -57.8 -46.8 17.5 44.6 -11.0 180 181 A E H > S+ 0 0 105 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.885 109.0 57.1 -63.5 -44.4 14.3 46.8 -11.1 181 182 A D H > S+ 0 0 44 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.931 108.3 47.5 -52.1 -46.5 14.7 47.8 -7.5 182 183 A V H X S+ 0 0 13 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.907 111.4 49.9 -65.8 -42.7 18.2 49.2 -8.3 183 184 A A H X S+ 0 0 0 -4,-2.0 4,-1.4 1,-0.2 3,-0.4 0.962 113.4 45.7 -58.1 -53.4 16.9 51.0 -11.3 184 185 A N H X S+ 0 0 29 -4,-3.0 4,-2.1 1,-0.2 -38,-0.2 0.830 110.4 53.5 -58.5 -40.7 14.1 52.5 -9.3 185 186 A I H X S+ 0 0 4 -4,-2.7 4,-1.7 -5,-0.2 -1,-0.2 0.827 106.2 55.0 -61.7 -35.1 16.5 53.4 -6.5 186 187 A A H X S+ 0 0 0 -4,-1.9 4,-1.4 -3,-0.4 -2,-0.2 0.850 110.1 44.9 -67.2 -36.2 18.7 55.2 -9.0 187 188 A V H X S+ 0 0 1 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.960 114.5 45.0 -74.9 -53.6 15.8 57.4 -10.2 188 189 A I H X S+ 0 0 28 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.883 111.5 56.4 -56.7 -35.8 14.3 58.4 -6.9 189 190 A S H X S+ 0 0 0 -4,-1.7 4,-3.0 -5,-0.2 5,-0.2 0.894 102.4 53.9 -67.7 -38.7 17.9 59.1 -5.7 190 191 A A H X S+ 0 0 0 -4,-1.4 4,-2.3 1,-0.2 -1,-0.2 0.920 110.8 47.7 -58.4 -42.9 18.6 61.6 -8.5 191 192 A K H X S+ 0 0 114 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.871 113.2 47.1 -66.0 -35.0 15.4 63.4 -7.3 192 193 A T H X S+ 0 0 12 -4,-2.0 4,-3.0 2,-0.2 5,-0.3 0.924 111.7 50.5 -74.4 -44.3 16.5 63.4 -3.7 193 194 A F H X>S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 5,-0.8 0.934 111.4 48.6 -56.1 -49.6 19.9 64.5 -4.5 194 195 A E H X5S+ 0 0 103 -4,-2.3 4,-1.1 -5,-0.2 5,-0.2 0.928 114.6 45.0 -59.2 -46.6 18.6 67.4 -6.6 195 196 A L H <5S+ 0 0 36 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.923 122.5 34.6 -63.8 -44.3 16.2 68.4 -3.9 196 197 A L H <5S+ 0 0 2 -4,-3.0 -2,-0.2 1,-0.1 -3,-0.2 0.866 128.4 30.5 -87.7 -36.7 18.6 68.2 -1.0 197 198 A V H <5S- 0 0 24 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.1 0.737 93.5-137.7 -90.6 -25.2 22.0 69.2 -2.5 198 199 A Q << + 0 0 123 -4,-1.1 2,-0.3 -5,-0.8 -4,-0.2 0.991 63.9 107.0 59.6 64.6 20.5 71.7 -5.1 199 200 A D S S- 0 0 67 -5,-0.2 -1,-0.3 -6,-0.2 -2,-0.2 -0.971 82.9 -78.9-163.3 155.7 22.8 70.6 -7.9 200 201 A V - 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0 0 56 -2,-0.3 4,-1.8 1,-0.1 5,-0.1 -0.727 45.4-152.0 -84.9 127.8 63.0 45.5 -27.9 382 50 B E H > S+ 0 0 100 -2,-0.4 4,-2.3 2,-0.2 5,-0.2 0.866 95.1 51.1 -72.5 -37.2 66.1 47.2 -26.6 383 51 B A H > S+ 0 0 65 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.931 112.6 48.0 -60.5 -49.4 66.3 49.8 -29.5 384 52 B D H > S+ 0 0 72 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.845 111.5 49.7 -56.7 -43.1 62.7 50.7 -28.8 385 53 B I H X S+ 0 0 5 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.915 107.9 52.1 -67.6 -44.9 63.2 51.0 -25.1 386 54 B K H X S+ 0 0 124 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.890 112.4 48.3 -58.4 -39.8 66.3 53.3 -25.5 387 55 B A H < S+ 0 0 81 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.849 116.8 40.6 -68.4 -38.2 64.2 55.5 -27.7 388 56 B L H < S+ 0 0 64 -4,-1.7 -2,-0.2 -5,-0.1 -1,-0.2 0.795 110.8 58.3 -81.6 -28.5 61.2 55.5 -25.3 389 57 B A H >< S+ 0 0 14 -4,-2.8 3,-1.2 1,-0.2 2,-0.4 0.938 72.0 163.7 -67.9 -52.3 63.4 55.9 -22.1 390 58 B G T 3< S+ 0 0 56 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.1 -0.545 71.3 3.9 70.9-121.9 65.2 59.1 -23.0 391 59 B D T 3 S+ 0 0 161 -2,-0.4 -1,-0.3 2,-0.1 2,-0.1 0.589 102.9 114.1 -72.3 -14.7 66.8 60.8 -20.0 392 60 B L S < S- 0 0 44 -3,-1.2 2,-1.1 1,-0.1 -3,-0.1 -0.388 70.2-126.3 -64.0 129.9 65.8 57.9 -17.7 393 61 B D + 0 0 105 1,-0.2 3,-0.1 -2,-0.1 -23,-0.1 -0.675 49.6 147.0 -83.5 100.5 68.8 55.9 -16.3 394 62 B L > + 0 0 24 -2,-1.1 3,-1.0 1,-0.1 -1,-0.2 0.109 33.4 113.4-115.1 15.7 68.1 52.2 -17.1 395 63 B S T 3 S+ 0 0 96 1,-0.3 -1,-0.1 3,-0.0 -2,-0.0 0.829 73.4 57.2 -59.8 -36.3 71.8 51.2 -17.6 396 64 B K T 3 S+ 0 0 146 -3,-0.1 -1,-0.3 2,-0.1 -20,-0.1 0.776 94.8 88.5 -64.9 -29.0 71.7 49.0 -14.5 397 65 B A S < S- 0 0 17 -3,-1.0 2,-0.5 -22,-0.1 -20,-0.2 -0.206 74.6-127.5 -72.6 163.9 68.8 46.9 -16.0 398 66 B K E -n 377 0D 106 -22,-2.1 -20,-2.3 2,-0.0 2,-0.4 -0.958 17.2-148.9-116.3 124.1 69.0 43.9 -18.2 399 67 B I E -n 378 0D 52 -2,-0.5 2,-0.5 -22,-0.2 -20,-0.2 -0.805 12.7-174.5 -99.6 133.0 67.1 43.9 -21.5 400 68 B V E -n 379 0D 4 -22,-2.3 -20,-1.6 -2,-0.4 -2,-0.0 -0.988 9.8-158.2-127.5 118.3 65.7 40.6 -22.9 401 69 B D >> - 0 0 17 -2,-0.5 4,-2.5 -22,-0.2 3,-2.0 -0.883 12.5-146.5 -98.3 118.7 64.1 40.5 -26.3 402 70 B P T 34 S+ 0 0 4 0, 0.0 -1,-0.1 0, 0.0 33,-0.1 0.652 98.6 54.0 -57.3 -17.6 61.8 37.4 -26.7 403 71 B K T 34 S+ 0 0 154 31,-0.1 31,-0.0 1,-0.1 -22,-0.0 0.378 121.6 24.9 -99.7 1.9 62.7 37.3 -30.4 404 72 B T T <4 S+ 0 0 105 -3,-2.0 -1,-0.1 4,-0.0 4,-0.1 0.458 84.9 127.8-133.8 -16.9 66.6 37.2 -30.0 405 73 B Y >< - 0 0 23 -4,-2.5 3,-1.7 1,-0.1 4,-0.2 -0.147 63.2-125.8 -52.3 138.6 67.1 35.8 -26.5 406 74 B E T > S+ 0 0 149 1,-0.3 3,-0.5 2,-0.1 4,-0.2 0.897 109.1 46.4 -49.4 -50.9 69.6 32.8 -26.3 407 75 B K T >> S+ 0 0 69 1,-0.2 4,-2.0 2,-0.1 3,-0.7 0.287 75.6 120.0 -81.1 10.5 67.1 30.5 -24.5 408 76 B K H <> S+ 0 0 75 -3,-1.7 4,-1.6 1,-0.3 -1,-0.2 0.825 75.8 47.3 -43.2 -45.6 64.2 31.4 -26.8 409 77 B D H <> S+ 0 0 105 -3,-0.5 4,-2.6 2,-0.2 -1,-0.3 0.846 107.7 54.8 -70.4 -38.1 63.8 27.8 -28.0 410 78 B E H <> S+ 0 0 97 -3,-0.7 4,-2.3 1,-0.2 -1,-0.2 0.891 110.2 48.5 -59.5 -40.8 63.9 26.4 -24.4 411 79 B Y H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.833 111.4 48.1 -69.1 -37.1 61.1 28.7 -23.6 412 80 B I H X S+ 0 0 20 -4,-1.6 4,-2.4 -5,-0.2 -2,-0.2 0.928 112.7 48.8 -69.2 -44.3 59.0 27.8 -26.6 413 81 B N H X S+ 0 0 79 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.921 110.2 52.4 -59.2 -46.7 59.5 24.0 -25.9 414 82 B A H X S+ 0 0 24 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.897 111.1 44.6 -58.2 -48.1 58.5 24.5 -22.2 415 83 B F H X S+ 0 0 0 -4,-1.8 4,-2.9 1,-0.2 -1,-0.2 0.889 110.3 57.1 -65.6 -38.4 55.2 26.3 -23.0 416 84 B Y H X S+ 0 0 71 -4,-2.4 4,-0.9 1,-0.2 -2,-0.2 0.890 107.2 48.1 -58.1 -41.9 54.6 23.6 -25.7 417 85 B E H < S+ 0 0 104 -4,-2.2 4,-0.3 2,-0.2 -1,-0.2 0.911 115.5 44.4 -63.6 -44.7 54.9 20.9 -23.0 418 86 B L H < S+ 0 0 32 -4,-1.9 3,-0.3 1,-0.2 -2,-0.2 0.935 126.4 30.1 -63.4 -47.8 52.5 22.8 -20.6 419 87 B R H ><>S+ 0 0 60 -4,-2.9 3,-1.7 1,-0.2 5,-1.1 0.369 90.6 107.6 -99.2 2.1 50.0 23.7 -23.2 420 88 B K G ><5S+ 0 0 71 -4,-0.9 3,-0.6 1,-0.3 4,-0.2 0.800 80.1 43.3 -49.5 -48.1 50.5 20.6 -25.4 421 89 B H G 3 5S+ 0 0 158 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.091 100.3 71.3 -95.3 19.3 47.3 18.7 -24.7 422 90 B K G < 5S- 0 0 136 -3,-1.7 -1,-0.2 2,-0.1 -2,-0.1 0.005 125.3 -82.6-120.5 21.5 45.0 21.8 -24.8 423 91 B G T < 5S+ 0 0 64 -3,-0.6 2,-0.6 1,-0.3 -3,-0.1 0.629 84.4 138.4 89.4 16.6 45.2 22.2 -28.6 424 92 B I < - 0 0 38 -5,-1.1 -1,-0.3 -4,-0.2 2,-0.1 -0.832 36.3-156.7 -97.8 124.2 48.5 24.1 -28.9 425 93 B T > - 0 0 55 -2,-0.6 4,-2.4 1,-0.1 5,-0.1 -0.448 34.1-104.8 -85.3 168.3 51.0 23.1 -31.7 426 94 B L H > S+ 0 0 75 1,-0.2 4,-1.7 2,-0.2 -10,-0.1 0.821 124.5 51.3 -62.9 -32.3 54.7 23.8 -31.5 427 95 B E H > S+ 0 0 139 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.852 109.0 50.7 -74.3 -37.0 54.2 26.7 -34.0 428 96 B N H > S+ 0 0 65 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.911 107.4 54.1 -61.1 -46.5 51.4 28.1 -31.9 429 97 B A H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.933 106.4 52.8 -51.9 -48.5 53.7 27.9 -28.9 430 98 B A H < S+ 0 0 41 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.880 111.9 44.1 -55.4 -47.5 56.2 30.0 -30.8 431 99 B E H >< S+ 0 0 142 -4,-1.7 3,-0.9 2,-0.2 -1,-0.2 0.887 116.3 45.8 -65.5 -45.1 53.7 32.7 -31.7 432 100 B I H >< S+ 0 0 48 -4,-2.7 3,-1.6 1,-0.2 -2,-0.2 0.884 108.5 56.4 -67.0 -39.6 52.2 32.9 -28.1 433 101 B M T 3< S+ 0 0 3 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.422 90.4 75.5 -77.8 3.3 55.7 32.9 -26.5 434 102 B S T < S+ 0 0 55 -3,-0.9 -1,-0.3 -5,-0.1 2,-0.2 0.551 72.9 102.9 -85.2 -11.0 56.6 36.0 -28.5 435 103 B D S <> S- 0 0 64 -3,-1.6 4,-1.7 -4,-0.1 5,-0.2 -0.530 75.5-134.3 -73.5 139.7 54.5 38.1 -26.2 436 104 B Y H > S+ 0 0 58 -2,-0.2 4,-2.2 2,-0.2 5,-0.1 0.900 103.1 45.4 -63.7 -45.9 56.5 40.1 -23.7 437 105 B V H > S+ 0 0 4 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.965 112.1 51.3 -63.1 -52.6 54.3 39.2 -20.6 438 106 B Y H > S+ 0 0 29 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.835 112.6 47.5 -51.2 -39.0 54.1 35.5 -21.5 439 107 B F H X S+ 0 0 1 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.909 109.8 51.5 -72.2 -42.9 57.9 35.4 -21.8 440 108 B A H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.874 109.9 50.7 -61.5 -39.8 58.4 37.2 -18.5 441 109 B V H X S+ 0 0 0 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.882 107.8 51.9 -65.3 -38.3 56.2 34.8 -16.8 442 110 B M H X S+ 0 0 0 -4,-1.6 4,-1.5 -5,-0.2 -1,-0.2 0.790 104.6 59.1 -68.8 -26.6 58.1 31.9 -18.3 443 111 B M H X>S+ 0 0 2 -4,-1.5 6,-1.3 2,-0.2 4,-0.7 0.902 106.0 46.3 -66.2 -44.1 61.3 33.5 -16.9 444 112 B A H <5S+ 0 0 0 -4,-1.6 3,-0.3 1,-0.2 -1,-0.2 0.831 110.7 55.4 -65.1 -32.0 60.0 33.4 -13.4 445 113 B K H <5S+ 0 0 73 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.859 112.8 40.0 -67.7 -37.4 59.0 29.7 -14.0 446 114 B L H <5S- 0 0 62 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.375 116.6-106.4 -98.6 1.0 62.5 28.7 -15.1 447 115 B G T <5S+ 0 0 47 -4,-0.7 -3,-0.1 2,-0.3 -4,-0.1 0.117 89.1 112.8 100.8 -21.7 64.5 30.7 -12.5 448 116 B E S - 0 0 31 -2,-0.3 4,-1.0 1,-0.1 3,-0.2 -0.254 36.1-116.4 -63.0 155.1 43.4 43.7 -18.9 460 128 B S H >> S+ 0 0 60 1,-0.2 4,-1.7 2,-0.2 3,-0.5 0.903 117.7 50.9 -59.2 -42.9 43.5 41.9 -15.5 461 129 B S H 3> S+ 0 0 69 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.741 107.8 52.2 -69.7 -26.4 42.4 38.6 -17.3 462 130 B D H 34 S+ 0 0 68 2,-0.2 -1,-0.2 -3,-0.2 -2,-0.2 0.627 111.7 47.6 -79.3 -19.7 45.2 39.0 -19.9 463 131 B T H >S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.6 0.860 115.9 50.9 -63.9 -36.5 50.0 33.5 -18.6 467 135 B A H X>S+ 0 0 1 -4,-0.7 5,-2.4 -3,-0.3 4,-1.3 0.970 112.9 44.7 -61.9 -54.7 50.3 33.2 -14.8 468 136 B V H <5S+ 0 0 72 -4,-3.1 5,-0.2 1,-0.2 -1,-0.2 0.802 119.0 42.4 -61.2 -36.9 47.6 30.6 -14.6 469 137 B Q H <5S+ 0 0 30 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.849 127.8 24.5 -78.1 -37.6 48.9 28.6 -17.6 470 138 B I H <5S+ 0 0 0 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.918 134.1 24.7 -98.9 -57.9 52.6 28.7 -16.9 471 139 B V T < - 0 0 10 9,-2.9 3,-0.7 -2,-0.6 135,-0.1 -0.689 17.1-131.2 -83.4 130.8 45.2 55.7 4.8 489 157 B P T 3 S+ 0 0 75 0, 0.0 2,-1.4 0, 0.0 -1,-0.1 0.947 90.3 17.0 -45.4 -89.4 46.9 59.0 5.6 490 158 B D T 3 S+ 0 0 136 -203,-0.1 2,-0.5 7,-0.0 7,-0.1 -0.339 93.4 148.2 -91.5 59.1 45.8 60.4 9.1 491 159 B C < - 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0 0 14 -2,-0.3 4,-2.2 -37,-0.2 5,-0.2 -0.468 37.0-107.4 -77.2 158.2 91.2 113.0 59.2 909 245 C V H > S+ 0 0 0 -37,-0.4 4,-1.6 1,-0.2 5,-0.2 0.860 119.7 52.3 -57.0 -39.3 91.1 115.6 62.0 910 246 C D H > S+ 0 0 5 1,-0.2 4,-2.7 2,-0.2 8,-0.4 0.916 112.1 44.5 -64.5 -42.9 94.5 117.0 61.0 911 247 C A H 4 S+ 0 0 0 1,-0.2 18,-1.0 2,-0.2 -1,-0.2 0.830 111.8 56.3 -67.1 -33.4 93.4 117.5 57.4 912 248 C A H < S+ 0 0 0 -4,-2.2 19,-2.2 16,-0.3 18,-0.3 0.860 125.3 14.4 -70.7 -34.5 90.1 118.9 58.5 913 249 C I H < S+ 0 0 2 -4,-1.6 -2,-0.2 17,-0.2 -87,-0.2 0.585 104.6 83.7-120.7 -13.8 91.5 121.7 60.7 914 250 C V X - 0 0 10 -4,-2.7 4,-2.8 -5,-0.2 5,-0.3 -0.854 59.3-154.2-104.0 112.2 95.2 122.2 59.9 915 251 C P H > S+ 0 0 84 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.898 94.3 48.0 -46.8 -54.1 95.9 124.5 56.9 916 252 C K H > S+ 0 0 172 2,-0.2 4,-1.0 1,-0.2 5,-0.2 0.887 112.6 47.3 -59.3 -42.7 99.2 123.0 56.1 917 253 C V H >> S+ 0 0 16 -7,-0.3 4,-2.8 -3,-0.2 3,-0.9 0.943 111.1 52.7 -62.5 -45.4 98.0 119.4 56.3 918 254 C A H 3X S+ 0 0 7 -4,-2.8 4,-1.7 -8,-0.4 -1,-0.2 0.891 99.6 64.3 -54.5 -42.5 95.0 120.3 54.1 919 255 C A H 3< S+ 0 0 68 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.859 116.3 26.9 -52.6 -37.8 97.4 121.7 51.6 920 256 C S H << S+ 0 0 93 -4,-1.0 -2,-0.2 -3,-0.9 -1,-0.2 0.881 131.3 33.8 -89.2 -45.1 99.0 118.3 51.0 921 257 C K H < S+ 0 0 75 -4,-2.8 -3,-0.2 1,-0.2 -2,-0.2 0.855 133.7 18.5 -87.1 -38.0 96.2 115.8 51.8 922 258 C A S < S- 0 0 6 -4,-1.7 3,-0.5 -5,-0.4 -1,-0.2 -0.533 76.5-176.9-133.2 64.6 93.1 117.7 50.7 923 259 C P + 0 0 90 0, 0.0 -4,-0.1 0, 0.0 5,-0.1 -0.389 69.5 12.7 -63.6 140.9 94.1 120.5 48.3 924 260 C G S S+ 0 0 91 1,-0.2 -5,-0.0 4,-0.1 3,-0.0 0.948 86.0 154.6 57.3 56.6 91.2 122.8 47.1 925 261 C S - 0 0 15 -3,-0.5 -1,-0.2 3,-0.3 -21,-0.1 -0.944 49.0-139.0-114.5 135.3 88.6 121.7 49.6 926 262 C P S S+ 0 0 70 0, 0.0 -24,-0.1 0, 0.0 -1,-0.1 0.787 104.9 19.3 -60.7 -26.3 85.6 123.8 50.7 927 263 C V S > S+ 0 0 0 -59,-0.1 3,-2.7 -60,-0.1 4,-0.4 0.814 92.6 103.8-108.5 -53.8 86.2 122.5 54.3 928 264 C A T 3 S+ 0 0 7 1,-0.3 -16,-0.3 2,-0.2 -3,-0.3 -0.037 92.8 18.0 -43.9 133.1 89.7 121.0 54.8 929 265 C G T 3 S+ 0 0 11 -18,-1.0 -1,-0.3 -17,-0.3 -16,-0.2 0.073 128.9 52.4 92.4 -21.6 92.0 123.4 56.7 930 266 C K S < S+ 0 0 107 -3,-2.7 -17,-0.2 -18,-0.3 -2,-0.2 0.302 72.3 147.3-129.9 8.7 89.0 125.4 58.1 931 267 C A + 0 0 0 -19,-2.2 -105,-0.6 -4,-0.4 -63,-0.2 -0.115 15.4 166.2 -57.0 141.2 86.6 122.9 59.6 932 268 C N + 0 0 6 -65,-2.3 -100,-1.2 1,-0.2 2,-0.4 0.352 63.8 62.3-131.0 0.1 84.5 123.9 62.6 933 269 C V E -eg 832 868I 0 -66,-1.7 -64,-3.1 -102,-0.2 2,-0.5 -0.997 64.5-160.2-129.8 123.2 82.0 121.0 62.7 934 270 C F E -eg 833 869I 0 -102,-2.5 -100,-2.4 -2,-0.4 2,-0.5 -0.922 2.3-165.4-105.8 131.4 83.1 117.3 63.2 935 271 C I E -eg 834 870I 4 -66,-2.4 -64,-1.5 -2,-0.5 -100,-0.1 -0.973 13.6-150.5-117.8 124.7 80.7 114.5 62.2 936 272 C F - 0 0 5 -102,-0.8 -64,-0.1 -2,-0.5 3,-0.1 -0.667 20.8-127.5-107.1 149.9 81.6 111.1 63.5 937 273 C P S S- 0 0 27 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.765 86.3 -24.3 -61.2 -32.0 81.0 107.7 62.1 938 274 C D S > S- 0 0 21 -97,-0.1 4,-2.4 -103,-0.1 -97,-0.2 -0.960 75.9 -78.1-169.3-178.6 79.3 106.5 65.3 939 275 C L H > S+ 0 0 6 -99,-1.9 4,-2.8 -2,-0.3 5,-0.4 0.773 117.4 64.0 -70.7 -26.5 78.9 107.1 69.1 940 276 C N H > S+ 0 0 1 -100,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.977 113.6 33.1 -55.1 -58.0 82.2 105.3 70.0 941 277 C C H > S+ 0 0 1 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.890 119.6 54.6 -66.3 -39.5 84.3 107.9 68.1 942 278 C G H X S+ 0 0 0 -4,-2.4 4,-2.0 -107,-0.2 -106,-0.2 0.945 114.6 36.9 -61.1 -54.2 81.8 110.7 69.0 943 279 C N H X S+ 0 0 10 -4,-2.8 4,-2.9 -108,-0.2 5,-0.3 0.961 118.7 49.2 -64.0 -51.3 81.9 110.2 72.7 944 280 C I H X S+ 0 0 1 -4,-2.3 4,-2.2 -5,-0.4 -2,-0.2 0.875 111.6 50.8 -55.9 -40.3 85.6 109.3 72.8 945 281 C A H X S+ 0 0 1 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.923 111.8 46.6 -63.9 -45.1 86.4 112.4 70.8 946 282 C Y H X S+ 0 0 22 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.930 113.1 48.3 -69.8 -41.1 84.4 114.7 73.0 947 283 C K H X S+ 0 0 14 -4,-2.9 4,-2.4 1,-0.2 5,-0.4 0.890 111.1 51.6 -66.2 -36.3 85.9 113.3 76.2 948 284 C I H X>S+ 0 0 0 -4,-2.2 4,-1.6 -5,-0.3 5,-1.3 0.890 110.9 47.0 -67.5 -36.5 89.4 113.6 74.8 949 285 C A H X5S+ 0 0 0 -4,-2.0 6,-2.4 3,-0.2 4,-0.5 0.935 115.7 46.4 -67.9 -45.0 88.8 117.2 74.0 950 286 C Q H <5S+ 0 0 44 -4,-2.6 4,-0.3 4,-0.2 -2,-0.2 0.969 125.2 26.7 -60.8 -53.0 87.3 117.9 77.4 951 287 C R H <5S+ 0 0 71 -4,-2.4 -3,-0.2 3,-0.2 -2,-0.2 0.882 132.9 28.9 -88.3 -41.1 89.9 116.1 79.5 952 288 C L H <5S+ 0 0 5 -4,-1.6 -3,-0.2 -5,-0.4 202,-0.2 0.766 130.3 37.8 -91.6 -29.6 93.2 116.2 77.5 953 289 C A S < - 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0 0 57 1,-0.1 4,-1.9 4,-0.0 3,-0.6 -0.564 360.0-135.9 -91.1 136.9 111.2 114.1 76.0 1000 4 D F H 3> S+ 0 0 14 -2,-0.3 4,-1.7 1,-0.2 -1,-0.1 0.862 108.3 55.1 -52.4 -41.6 110.1 110.6 75.5 1001 5 D L H 3> S+ 0 0 49 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.864 105.8 52.2 -60.4 -37.8 112.0 110.5 72.1 1002 6 D E H <> S+ 0 0 105 -3,-0.6 4,-2.0 2,-0.2 -2,-0.2 0.876 106.2 53.3 -67.3 -41.4 115.2 111.6 73.9 1003 7 D K H X S+ 0 0 116 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.903 111.4 47.1 -58.2 -42.5 114.9 108.8 76.4 1004 8 D I H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.946 110.1 49.2 -68.8 -50.6 114.6 106.3 73.6 1005 9 D S H X S+ 0 0 26 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.886 114.2 48.4 -54.1 -42.0 117.6 107.6 71.5 1006 10 D E H >X S+ 0 0 98 -4,-2.0 4,-1.5 2,-0.2 3,-0.5 0.944 111.8 46.7 -67.2 -48.6 119.7 107.6 74.6 1007 11 D R H 3X S+ 0 0 48 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.843 108.3 59.2 -59.6 -34.3 118.7 104.0 75.6 1008 12 D A H 3< S+ 0 0 0 -4,-2.6 5,-0.4 1,-0.2 -1,-0.2 0.835 101.0 54.4 -65.2 -34.8 119.3 103.0 72.0 1009 13 D K H << S+ 0 0 76 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.906 106.3 50.2 -63.2 -46.7 122.9 104.1 72.2 1010 14 D K H < S+ 0 0 181 -4,-1.5 2,-0.2 2,-0.1 -1,-0.2 0.681 104.9 70.4 -69.2 -18.4 123.6 101.9 75.3 1011 15 D L S < S- 0 0 52 -4,-1.0 2,-0.2 -5,-0.2 311,-0.1 -0.661 81.0-142.3 -90.3 157.4 122.1 99.0 73.3 1012 16 D N + 0 0 140 -2,-0.2 2,-0.2 309,-0.1 26,-0.1 -0.500 39.6 152.1-123.4 62.3 124.2 97.8 70.4 1013 17 D K - 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0 0 54 -2,-0.3 4,-2.4 1,-0.1 5,-0.1 -0.743 43.4-154.9 -87.6 124.9 123.9 99.8 45.0 1046 50 D E H > S+ 0 0 103 -2,-0.5 4,-2.0 2,-0.2 -1,-0.1 0.829 95.9 49.5 -72.7 -32.8 127.2 101.1 46.5 1047 51 D A H > S+ 0 0 64 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.932 114.0 46.6 -64.9 -47.2 128.2 103.0 43.4 1048 52 D D H > S+ 0 0 76 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.866 112.9 49.4 -62.9 -39.8 124.8 104.6 43.3 1049 53 D I H X S+ 0 0 5 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.909 106.8 53.1 -70.2 -45.2 124.8 105.5 47.0 1050 54 D K H X S+ 0 0 123 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.861 112.1 48.2 -56.2 -37.2 128.3 107.1 47.0 1051 55 D A H < S+ 0 0 83 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.811 116.8 40.9 -71.3 -35.0 127.0 109.3 44.2 1052 56 D L H < S+ 0 0 64 -4,-1.4 -2,-0.2 -5,-0.1 -1,-0.2 0.739 111.2 59.1 -84.3 -26.4 123.8 110.2 46.0 1053 57 D A H >< S+ 0 0 11 -4,-2.9 3,-1.2 1,-0.2 2,-0.4 0.965 71.0 160.2 -67.9 -55.2 125.5 110.6 49.4 1054 58 D G T 3< S+ 0 0 58 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.1 -0.550 72.0 4.0 68.6-122.6 128.0 113.3 48.4 1055 59 D D T 3 S+ 0 0 160 -2,-0.4 -1,-0.2 2,-0.1 2,-0.2 0.607 102.9 110.8 -71.5 -15.4 129.3 115.2 51.5 1056 60 D L S < S- 0 0 44 -3,-1.2 2,-1.0 1,-0.1 -29,-0.0 -0.426 71.9-125.0 -69.0 131.4 127.5 112.9 54.0 1057 61 D D + 0 0 102 -2,-0.2 -23,-0.1 1,-0.2 -24,-0.1 -0.671 48.5 149.1 -82.2 102.0 129.8 110.6 56.1 1058 62 D L > + 0 0 22 -2,-1.0 3,-0.6 1,-0.1 -1,-0.2 0.067 33.9 112.6-116.8 18.7 128.5 107.0 55.6 1059 63 D S T 3 S+ 0 0 96 1,-0.2 -1,-0.1 3,-0.0 -2,-0.0 0.885 74.0 57.6 -60.1 -40.0 131.9 105.3 55.9 1060 64 D K T 3 S+ 0 0 142 -3,-0.1 -1,-0.2 2,-0.1 -20,-0.2 0.816 94.0 88.6 -61.5 -32.6 130.9 103.6 59.2 1061 65 D A S < S- 0 0 15 -3,-0.6 2,-0.4 -22,-0.1 -20,-0.2 -0.136 74.8-130.2 -65.0 162.1 127.9 102.0 57.5 1062 66 D K E -j 1041 0J 110 -22,-2.1 -20,-2.2 2,-0.0 2,-0.4 -0.969 18.1-149.4-116.4 127.7 127.9 98.6 55.7 1063 67 D I E -j 1042 0J 49 -2,-0.4 2,-0.4 -22,-0.2 -20,-0.2 -0.844 12.6-174.8-103.7 137.1 126.5 98.4 52.2 1064 68 D V E -j 1043 0J 2 -22,-2.1 -20,-1.6 -2,-0.4 -2,-0.0 -0.982 11.4-155.3-132.9 117.9 124.9 95.2 50.8 1065 69 D D >> - 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0 0 35 -5,-1.1 -1,-0.3 -4,-0.3 -2,-0.1 -0.782 35.9-155.5 -95.8 123.7 105.6 81.3 44.0 1089 93 D T > - 0 0 57 -2,-0.5 4,-2.1 1,-0.1 5,-0.1 -0.380 32.7-106.3 -83.9 167.6 108.2 79.5 41.8 1090 94 D L H > S+ 0 0 85 1,-0.2 4,-1.3 2,-0.2 -10,-0.1 0.832 124.2 50.5 -62.7 -33.4 112.0 79.5 42.5 1091 95 D E H > S+ 0 0 139 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.859 107.6 51.4 -72.7 -39.6 112.4 82.0 39.6 1092 96 D N H > S+ 0 0 69 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.915 107.9 55.1 -59.5 -44.3 109.7 84.3 41.0 1093 97 D A H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.838 105.3 51.6 -58.1 -39.2 111.5 84.1 44.3 1094 98 D A H < S+ 0 0 40 -4,-1.3 -1,-0.2 2,-0.2 -2,-0.2 0.946 112.6 45.4 -62.9 -47.8 114.7 85.4 42.7 1095 99 D E H >< S+ 0 0 136 -4,-1.9 3,-1.1 1,-0.2 4,-0.2 0.905 115.4 45.3 -62.0 -47.3 112.9 88.3 41.1 1096 100 D I H >< S+ 0 0 48 -4,-2.6 3,-1.5 1,-0.2 -1,-0.2 0.866 108.9 56.8 -64.8 -40.0 111.0 89.3 44.3 1097 101 D M T 3< S+ 0 0 4 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.289 89.8 74.5 -80.7 8.0 114.1 89.0 46.5 1098 102 D S T < S+ 0 0 54 -3,-1.1 -1,-0.3 -4,-0.1 -2,-0.2 0.573 73.9 104.3 -87.6 -15.9 116.0 91.5 44.3 1099 103 D D S <> S- 0 0 59 -3,-1.5 4,-1.9 -4,-0.2 5,-0.1 -0.446 74.9-135.4 -67.6 137.2 113.9 94.2 45.9 1100 104 D Y H > S+ 0 0 57 2,-0.2 4,-2.2 1,-0.2 -1,-0.1 0.880 102.1 44.6 -63.6 -45.0 115.8 96.2 48.5 1101 105 D V H > S+ 0 0 3 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.962 113.6 49.2 -63.9 -55.5 113.1 96.2 51.2 1102 106 D Y H > S+ 0 0 28 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.865 112.8 49.1 -50.2 -42.0 112.3 92.5 50.8 1103 107 D F H X S+ 0 0 0 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.940 110.2 50.1 -66.2 -47.8 116.0 91.7 51.0 1104 108 D A H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.885 109.3 51.8 -57.3 -44.0 116.5 93.8 54.2 1105 109 D V H X S+ 0 0 0 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.840 107.9 52.0 -64.4 -32.6 113.5 92.1 55.9 1106 110 D M H X S+ 0 0 0 -4,-1.5 4,-1.6 -5,-0.2 -1,-0.2 0.815 104.1 58.8 -69.7 -30.5 115.1 88.7 55.0 1107 111 D M H <>S+ 0 0 1 -4,-1.5 6,-1.2 2,-0.2 5,-0.6 0.918 106.9 45.4 -63.4 -44.5 118.2 90.0 56.7 1108 112 D A H ><5S+ 0 0 0 -4,-1.7 3,-0.7 1,-0.2 -2,-0.2 0.873 110.5 54.9 -64.9 -37.4 116.3 90.6 60.0 1109 113 D K H 3<5S+ 0 0 84 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.834 114.1 40.2 -66.0 -32.2 114.7 87.2 59.7 1110 114 D L T 3<5S- 0 0 63 -4,-1.6 -1,-0.2 -3,-0.1 -2,-0.2 0.317 117.1-106.5-103.4 5.2 118.1 85.4 59.3 1111 115 D G T < 5S+ 0 0 40 -3,-0.7 -3,-0.2 -4,-0.5 -4,-0.1 0.059 89.7 110.7 102.4 -25.6 120.0 87.4 62.0 1112 116 D E S - 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0 0 15 -2,-0.3 4,-2.0 -37,-0.2 5,-0.2 -0.450 37.1-105.9 -73.7 158.4 84.6 106.1 78.6 1241 245 D V H > S+ 0 0 0 -37,-0.4 4,-1.3 1,-0.2 5,-0.2 0.898 120.0 49.5 -54.5 -42.0 87.8 108.2 78.4 1242 246 D D H > S+ 0 0 3 1,-0.2 4,-3.0 2,-0.2 3,-0.5 0.947 110.8 47.5 -64.8 -46.5 86.9 110.2 81.5 1243 247 D A H 4 S+ 0 0 0 1,-0.2 18,-0.7 2,-0.2 -1,-0.2 0.838 111.6 55.1 -61.6 -29.1 86.2 107.1 83.6 1244 248 D A H < S+ 0 0 0 -4,-2.0 19,-2.6 16,-0.3 18,-0.4 0.800 125.4 16.2 -75.0 -31.0 89.4 105.7 82.4 1245 249 D I H < S+ 0 0 3 -4,-1.3 -2,-0.2 -3,-0.5 -87,-0.2 0.627 105.3 81.5-120.8 -13.6 91.6 108.6 83.4 1246 250 D V >X - 0 0 9 -4,-3.0 4,-2.7 -5,-0.2 3,-0.5 -0.830 59.0-156.1-106.9 106.0 89.8 110.8 85.9 1247 251 D P H 3> S+ 0 0 85 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.843 94.0 49.7 -47.9 -47.5 89.9 109.5 89.5 1248 252 D K H 3> S+ 0 0 179 2,-0.2 4,-1.1 1,-0.2 -5,-0.1 0.914 113.4 45.1 -59.7 -45.5 86.7 111.2 90.6 1249 253 D V H X> S+ 0 0 18 -3,-0.5 4,-2.7 1,-0.2 3,-0.5 0.919 111.9 53.5 -64.6 -43.0 84.7 110.0 87.6 1250 254 D A H 3X S+ 0 0 8 -4,-2.7 4,-2.1 -8,-0.3 -2,-0.2 0.893 101.6 59.8 -54.0 -44.3 86.1 106.5 88.1 1251 255 D A H 3< S+ 0 0 72 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.835 115.7 33.4 -56.0 -35.8 85.0 106.5 91.7 1252 256 D S H << S+ 0 0 91 -4,-1.1 -2,-0.2 -3,-0.5 -1,-0.2 0.854 129.2 29.7 -91.2 -38.4 81.3 107.0 90.6 1253 257 D K H < S+ 0 0 89 -4,-2.7 -3,-0.2 1,-0.2 -2,-0.2 0.704 133.6 21.7 -98.9 -23.0 81.0 105.0 87.3 1254 258 D A S < S- 0 0 5 -4,-2.1 3,-0.4 -5,-0.4 -1,-0.2 -0.463 77.7-173.9-144.1 68.8 83.6 102.2 87.8 1255 259 D P + 0 0 96 0, 0.0 -4,-0.1 0, 0.0 5,-0.1 -0.318 67.7 10.7 -68.2 145.5 84.3 101.7 91.5 1256 260 D G S S+ 0 0 91 1,-0.2 -5,-0.0 4,-0.1 -6,-0.0 0.956 86.9 155.1 51.5 60.3 87.0 99.3 92.5 1257 261 D S - 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0 0 4 -102,-0.8 -64,-0.1 -2,-0.4 3,-0.1 -0.746 20.9-128.1-106.3 145.2 90.0 101.6 70.4 1269 273 D P S S- 0 0 26 0, 0.0 2,-0.3 0, 0.0 -90,-0.1 0.655 87.7 -21.8 -58.6 -27.7 87.2 99.6 68.9 1270 274 D D S >> S- 0 0 22 -97,-0.1 4,-2.1 -103,-0.1 3,-0.5 -0.963 77.3 -78.9-172.6 176.7 88.5 100.4 65.4 1271 275 D L H 3> S+ 0 0 5 -99,-1.9 4,-2.0 -2,-0.3 5,-0.4 0.691 116.6 65.4 -70.0 -20.7 90.7 102.7 63.3 1272 276 D N H 3> S+ 0 0 3 -100,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.968 112.8 33.7 -57.3 -52.4 88.0 105.4 63.0 1273 277 D C H <> S+ 0 0 1 -3,-0.5 4,-2.4 2,-0.2 5,-0.2 0.868 118.4 52.4 -71.5 -41.3 88.2 106.1 66.8 1274 278 D G H X S+ 0 0 0 -4,-2.1 4,-2.1 -107,-0.2 -106,-0.2 0.935 114.7 40.0 -65.0 -47.3 91.9 105.3 67.1 1275 279 D N H X S+ 0 0 10 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.944 117.8 47.8 -66.0 -48.0 93.0 107.7 64.4 1276 280 D I H X S+ 0 0 2 -4,-2.0 4,-2.4 -5,-0.4 -2,-0.2 0.880 112.5 50.5 -60.3 -38.2 90.5 110.5 65.3 1277 281 D A H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.932 111.9 46.6 -69.0 -43.3 91.5 110.2 69.0 1278 282 D Y H X S+ 0 0 19 -4,-2.1 4,-3.5 -5,-0.2 -2,-0.2 0.956 113.5 47.7 -64.1 -47.5 95.2 110.4 68.2 1279 283 D K H X S+ 0 0 10 -4,-2.9 4,-3.5 1,-0.2 5,-0.4 0.917 112.3 50.7 -59.9 -41.9 94.7 113.5 65.8 1280 284 D I H X>S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 5,-1.2 0.869 112.2 46.3 -63.5 -37.9 92.5 115.2 68.4 1281 285 D A H X5S+ 0 0 0 -4,-2.0 6,-2.1 3,-0.2 4,-0.9 0.968 117.0 44.4 -70.8 -50.1 95.1 114.6 71.1 1282 286 D Q H <5S+ 0 0 40 -4,-3.5 4,-0.5 4,-0.2 -2,-0.2 0.955 125.9 28.9 -54.7 -55.9 97.9 115.8 68.8 1283 287 D R H <5S+ 0 0 67 -4,-3.5 -3,-0.2 -5,-0.2 -2,-0.2 0.754 131.1 27.8 -90.0 -27.3 96.1 118.9 67.4 1284 288 D L H <5S+ 0 0 4 -4,-2.4 -3,-0.2 -5,-0.4 -1,-0.1 0.720 129.2 39.4-101.4 -26.2 93.6 120.1 70.1 1285 289 D A S < - 0 0 76 -2,-0.3 3,-1.3 1,-0.1 -182,-0.0 -0.673 30.4-124.5 -76.7 146.0 104.9 108.6 56.5 1306 310 D R T 3 S+ 0 0 135 -2,-0.3 -1,-0.1 1,-0.3 -187,-0.0 0.830 113.6 51.5 -56.4 -34.2 105.7 109.4 52.9 1307 311 D G T 3 S+ 0 0 72 -186,-0.0 -1,-0.3 -3,-0.0 -187,-0.1 -0.133 86.2 149.0 -95.9 37.9 106.2 113.1 54.0 1308 312 D C < - 0 0 17 -3,-1.3 -284,-0.1 -188,-0.2 -4,-0.0 -0.256 46.0-104.7 -76.5 157.1 108.7 112.2 56.8 1309 313 D S > - 0 0 43 1,-0.1 4,-0.5 -2,-0.0 -1,-0.1 -0.252 21.0-117.6 -78.2 165.7 111.6 114.4 58.0 1310 314 D D T 4 S+ 0 0 67 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.454 122.6 35.7 -74.7 -0.9 115.3 114.0 57.4 1311 315 D E T >> S+ 0 0 73 2,-0.1 3,-1.3 3,-0.0 4,-1.0 0.508 100.4 70.0-128.5 -30.5 115.3 113.5 61.2 1312 316 D D H 3> S+ 0 0 108 1,-0.2 4,-0.8 2,-0.2 -2,-0.1 0.642 91.0 67.4 -68.9 -15.4 112.1 111.7 62.0 1313 317 D I H 3X S+ 0 0 2 -4,-0.5 4,-0.9 2,-0.2 -1,-0.2 0.523 96.3 56.1 -83.6 -4.5 113.7 108.7 60.3 1314 318 D V H <> S+ 0 0 8 -3,-1.3 4,-2.6 2,-0.2 -2,-0.2 0.900 104.8 46.9 -88.8 -53.6 116.2 108.6 63.2 1315 319 D G H X S+ 0 0 10 -4,-1.0 4,-2.4 2,-0.2 5,-0.2 0.702 109.6 57.7 -61.4 -24.5 113.7 108.3 66.1 1316 320 D A H X S+ 0 0 17 -4,-0.8 4,-2.2 2,-0.2 -1,-0.2 0.944 110.5 41.1 -65.8 -52.8 112.1 105.6 64.0 1317 321 D V H X S+ 0 0 0 -4,-0.9 4,-1.1 2,-0.2 -2,-0.2 0.824 115.6 54.0 -63.5 -29.6 115.5 103.7 64.0 1318 322 D A H >X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 3,-1.2 0.993 111.3 41.1 -67.9 -60.5 115.8 104.6 67.7 1319 323 D I H 3X S+ 0 0 6 -4,-2.4 4,-2.2 1,-0.3 -2,-0.2 0.843 111.5 60.2 -50.9 -41.5 112.5 103.2 68.9 1320 324 D T H 3X S+ 0 0 0 -4,-2.2 4,-0.8 2,-0.2 -1,-0.3 0.808 102.5 51.2 -56.3 -35.8 113.1 100.3 66.6 1321 325 D C H XX S+ 0 0 1 -3,-1.2 4,-1.2 -4,-1.1 3,-1.0 0.950 109.7 48.1 -70.6 -52.1 116.3 99.4 68.5 1322 326 D V H >X S+ 0 0 0 -4,-1.7 4,-0.5 1,-0.2 3,-0.5 0.905 106.8 59.4 -50.3 -43.0 114.5 99.5 71.9 1323 327 D Q H >< S+ 0 0 25 -4,-2.2 3,-0.6 1,-0.2 -1,-0.2 0.787 99.5 56.2 -60.5 -28.9 111.9 97.3 70.3 1324 328 D A H X< S+ 0 0 13 -3,-1.0 3,-2.0 -4,-0.8 -1,-0.2 0.831 91.9 70.3 -74.4 -31.0 114.5 94.6 69.5 1325 329 D A H << S+ 0 0 28 -4,-1.2 3,-0.4 -3,-0.5 -1,-0.2 0.740 75.2 88.2 -50.0 -27.5 115.5 94.4 73.2 1326 330 D A T << S+ 0 0 47 -3,-0.6 -1,-0.3 -4,-0.5 2,-0.2 0.714 103.4 17.7 -50.5 -25.2 112.0 92.8 73.7 1327 331 D Q < + 0 0 155 -3,-2.0 2,-0.7 -4,-0.1 -1,-0.2 -0.711 60.9 176.6-156.1 107.2 113.7 89.4 73.0 1328 332 D D 0 0 98 -3,-0.4 -3,-0.1 -2,-0.2 -4,-0.0 -0.904 360.0 360.0-105.3 99.3 117.5 88.6 73.1 1329 333 D K 0 0 274 -2,-0.7 -1,-0.1 0, 0.0 -2,-0.0 0.202 360.0 360.0 71.3 360.0 117.8 84.8 72.3