==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-JUL-05 2A96 . COMPND 2 MOLECULE: CLASS A NONSPECIFIC ACID PHOSPHATASE PHON; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR R.D.MAKDE,S.K.MAHAJAN,V.KUMAR . 872 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35458.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 644 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 14 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 119 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 455 52.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 3.2 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 9 3 0 4 0 4 0 0 4 0 6 6 4 2 6 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 24 A Q 0 0 215 0, 0.0 85,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 142.8 60.4 -2.5 38.0 2 25 A P - 0 0 34 0, 0.0 85,-0.1 0, 0.0 3,-0.1 -0.185 360.0-116.3 -59.6 154.2 57.9 -0.8 40.3 3 26 A F S S- 0 0 22 83,-0.2 2,-0.3 1,-0.1 195,-0.2 0.810 94.6 -5.1 -61.8 -31.8 58.8 -0.3 44.0 4 27 A H S S- 0 0 6 194,-0.1 -1,-0.1 192,-0.0 5,-0.0 -0.947 83.8 -93.5-154.4 167.4 55.9 -2.6 45.0 5 28 A S > - 0 0 37 -2,-0.3 3,-1.5 1,-0.1 4,-0.2 -0.316 41.1-100.8 -83.5 169.0 53.0 -4.4 43.3 6 29 A P G > S+ 0 0 59 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.887 124.6 53.1 -55.9 -38.4 49.4 -3.2 42.8 7 30 A E G 3 S+ 0 0 154 1,-0.2 4,-0.1 4,-0.0 0, 0.0 0.615 98.2 66.3 -73.6 -13.1 48.4 -5.3 45.8 8 31 A E G < S+ 0 0 107 -3,-1.5 -1,-0.2 2,-0.1 2,-0.2 0.384 80.9 94.4 -90.9 4.2 51.0 -3.8 48.0 9 32 A S S < S- 0 0 19 -3,-1.2 2,-0.3 -4,-0.2 180,-0.1 -0.628 91.2 -95.6 -91.8 155.3 49.5 -0.3 48.0 10 33 A V - 0 0 9 -2,-0.2 2,-0.6 1,-0.1 -2,-0.1 -0.575 47.3-105.5 -71.1 126.8 47.2 0.8 50.8 11 34 A N >> - 0 0 51 -2,-0.3 4,-1.1 1,-0.2 3,-1.1 -0.371 32.6-167.2 -58.1 105.4 43.6 0.2 49.7 12 35 A S H 3> S+ 0 0 0 -2,-0.6 4,-1.9 83,-0.3 -1,-0.2 0.750 82.7 64.9 -67.5 -26.8 42.3 3.7 48.9 13 36 A Q H 34 S+ 0 0 56 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.706 103.6 49.9 -69.7 -19.4 38.6 2.5 48.7 14 37 A F H <4 S+ 0 0 47 -3,-1.1 -2,-0.2 1,-0.1 -1,-0.2 0.870 118.2 31.7 -87.9 -40.2 38.9 1.6 52.4 15 38 A Y H < S+ 0 0 5 -4,-1.1 -2,-0.2 2,-0.1 -3,-0.1 0.677 102.4 81.4 -95.7 -15.9 40.3 4.8 54.0 16 39 A L S < S- 0 0 9 -4,-1.9 362,-0.1 -5,-0.2 165,-0.0 -0.600 81.2-119.8 -87.1 146.5 38.8 7.5 51.7 17 40 A P - 0 0 38 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.467 42.1 -88.3 -80.0 162.2 35.3 8.7 52.2 18 41 A P - 0 0 87 0, 0.0 3,-0.1 0, 0.0 81,-0.0 -0.229 56.9 -82.6 -63.1 161.8 32.9 8.1 49.4 19 42 A P - 0 0 28 0, 0.0 8,-0.1 0, 0.0 159,-0.0 -0.285 56.5 -85.7 -64.6 149.6 32.6 10.9 46.7 20 43 A P - 0 0 24 0, 0.0 2,-0.1 0, 0.0 157,-0.0 -0.314 50.5-131.0 -58.0 133.8 30.4 14.0 47.4 21 44 A G > - 0 0 26 -3,-0.1 3,-2.1 1,-0.1 6,-0.3 -0.394 27.7 -88.9 -87.6 166.2 26.7 13.3 46.5 22 45 A N T 3 S+ 0 0 130 1,-0.3 -1,-0.1 -2,-0.1 0, 0.0 0.711 125.9 30.6 -43.0 -34.5 24.3 15.4 44.4 23 46 A D T 3 S+ 0 0 109 4,-0.1 -1,-0.3 5,-0.0 5,-0.0 0.374 90.2 117.5-112.1 6.2 23.0 17.3 47.4 24 47 A D S X> S- 0 0 80 -3,-2.1 4,-1.8 1,-0.1 3,-0.9 -0.461 71.8-123.0 -74.3 143.9 26.1 17.4 49.6 25 48 A P H 3> S+ 0 0 14 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.880 113.4 57.5 -50.5 -40.8 27.6 20.8 50.5 26 49 A A H 3> S+ 0 0 14 1,-0.2 4,-2.1 2,-0.2 151,-0.2 0.853 105.1 49.5 -60.9 -36.5 30.9 19.6 49.0 27 50 A F H <> S+ 0 0 18 -3,-0.9 4,-2.2 -6,-0.3 -1,-0.2 0.867 106.4 53.9 -73.4 -36.2 29.3 18.8 45.7 28 51 A R H X S+ 0 0 118 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.910 112.0 47.7 -62.2 -37.9 27.7 22.2 45.4 29 52 A Y H X S+ 0 0 46 -4,-2.0 4,-3.0 -5,-0.2 -2,-0.2 0.888 106.3 56.6 -68.4 -40.0 31.2 23.5 46.0 30 53 A D H X S+ 0 0 1 -4,-2.1 4,-2.2 1,-0.2 146,-0.2 0.896 108.7 47.4 -59.3 -39.8 32.6 21.1 43.3 31 54 A K H X S+ 0 0 70 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.915 112.0 48.8 -68.2 -41.4 30.2 22.6 40.8 32 55 A E H X S+ 0 0 74 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.922 111.8 50.1 -62.5 -44.2 31.1 26.2 41.7 33 56 A A H X S+ 0 0 12 -4,-3.0 4,-1.6 1,-0.2 -1,-0.2 0.905 108.0 54.1 -60.3 -44.0 34.8 25.3 41.5 34 57 A Y H X S+ 0 0 4 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.935 110.8 44.4 -57.9 -47.7 34.3 23.8 38.1 35 58 A F H X S+ 0 0 88 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.762 106.1 60.2 -71.0 -24.8 32.6 26.9 36.7 36 59 A K H X S+ 0 0 125 -4,-1.7 4,-0.7 1,-0.2 -1,-0.2 0.889 109.8 44.0 -67.7 -37.1 35.2 29.3 38.2 37 60 A G H < S+ 0 0 4 -4,-1.6 3,-0.4 1,-0.2 -2,-0.2 0.847 110.3 53.6 -74.5 -35.7 37.8 27.5 36.2 38 61 A Y H >< S+ 0 0 65 -4,-1.6 3,-1.1 1,-0.2 -1,-0.2 0.816 103.3 59.7 -68.2 -30.1 35.8 27.4 33.0 39 62 A A H 3< S+ 0 0 83 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.786 102.9 50.0 -69.1 -30.4 35.3 31.2 33.3 40 63 A I T >< S+ 0 0 67 -4,-0.7 3,-1.9 -3,-0.4 6,-0.4 0.170 82.6 147.4 -95.6 18.3 39.0 31.9 33.1 41 64 A K T < + 0 0 101 -3,-1.1 -3,-0.1 1,-0.3 4,-0.1 -0.150 64.6 21.0 -52.1 144.9 39.4 29.7 30.1 42 65 A G T 3 S+ 0 0 49 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.191 98.9 120.5 79.4 -18.8 42.1 30.8 27.6 43 66 A S S <> S- 0 0 34 -3,-1.9 4,-1.9 1,-0.1 -1,-0.2 -0.139 80.4 -99.7 -72.6 171.3 43.9 32.9 30.3 44 67 A P H > S+ 0 0 99 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.937 124.0 50.6 -58.7 -49.6 47.5 32.3 31.5 45 68 A R H > S+ 0 0 61 1,-0.3 4,-1.9 2,-0.2 5,-0.1 0.847 110.6 53.2 -58.0 -30.7 46.6 30.3 34.6 46 69 A W H > S+ 0 0 27 -6,-0.4 4,-1.2 2,-0.2 -1,-0.3 0.879 108.5 48.2 -70.0 -38.9 44.5 28.3 32.2 47 70 A K H >X S+ 0 0 130 -4,-1.9 4,-1.6 2,-0.2 3,-0.5 0.923 108.9 53.0 -67.1 -44.1 47.5 27.7 29.9 48 71 A Q H 3X S+ 0 0 56 -4,-3.1 4,-2.7 1,-0.3 3,-0.4 0.922 105.3 56.0 -56.4 -42.7 49.6 26.8 32.9 49 72 A A H 3X S+ 0 0 1 -4,-1.9 4,-0.9 1,-0.3 -1,-0.3 0.842 104.2 53.4 -58.3 -33.6 46.9 24.2 33.8 50 73 A A H << S+ 0 0 30 -4,-1.2 4,-0.5 -3,-0.5 -1,-0.3 0.839 109.9 47.6 -70.4 -33.6 47.3 22.7 30.3 51 74 A E H >< S+ 0 0 92 -4,-1.6 3,-1.2 -3,-0.4 -2,-0.2 0.906 109.7 51.3 -72.6 -43.3 51.1 22.4 30.9 52 75 A D H 3< S+ 0 0 1 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.727 98.5 70.8 -65.4 -20.9 50.6 20.8 34.3 53 76 A A T 3< S+ 0 0 0 -4,-0.9 2,-0.7 -5,-0.3 -1,-0.3 0.797 79.9 83.4 -67.1 -28.9 48.2 18.4 32.6 54 77 A D < + 0 0 44 -3,-1.2 -1,-0.1 -4,-0.5 -4,-0.0 -0.685 54.4 179.7 -82.5 111.8 51.1 16.6 30.7 55 78 A I + 0 0 28 -2,-0.7 -1,-0.1 4,-0.1 -3,-0.1 0.151 32.4 131.0 -99.7 17.9 52.6 14.0 33.0 56 79 A S S > S- 0 0 42 1,-0.1 4,-2.0 4,-0.0 3,-0.4 -0.383 71.3-113.9 -64.6 151.4 55.3 12.7 30.7 57 80 A V H > S+ 0 0 17 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.896 115.1 60.0 -56.5 -41.3 58.7 12.5 32.5 58 81 A E H > S+ 0 0 116 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.907 109.9 41.9 -52.1 -46.5 60.1 15.2 30.2 59 82 A N H > S+ 0 0 14 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.830 112.8 51.2 -73.5 -33.6 57.5 17.7 31.3 60 83 A I H X S+ 0 0 1 -4,-2.0 4,-3.0 2,-0.2 5,-0.2 0.928 112.1 48.9 -68.2 -42.7 57.6 16.8 35.0 61 84 A A H X S+ 0 0 4 -4,-3.0 4,-2.3 -5,-0.2 -2,-0.2 0.922 109.9 51.0 -61.1 -46.4 61.4 17.3 34.9 62 85 A R H < S+ 0 0 122 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.916 114.8 44.4 -58.1 -43.9 61.0 20.6 33.1 63 86 A I H X S+ 0 0 12 -4,-2.1 4,-0.6 1,-0.2 -2,-0.2 0.902 119.3 38.0 -70.2 -44.0 58.5 21.8 35.7 64 87 A F H X S+ 0 0 1 -4,-3.0 4,-3.5 1,-0.2 5,-0.4 0.737 95.5 78.1 -85.8 -20.3 60.4 20.6 38.9 65 88 A S H X>S+ 0 0 17 -4,-2.3 4,-2.5 1,-0.2 5,-1.3 0.937 99.8 44.1 -51.1 -52.7 64.0 21.3 38.0 66 89 A P H 45S+ 0 0 81 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.870 116.3 48.8 -61.4 -35.7 63.6 25.0 38.7 67 90 A V H <5S+ 0 0 21 -4,-0.6 -2,-0.2 1,-0.2 90,-0.2 0.898 118.7 36.1 -72.6 -40.9 61.7 24.2 41.9 68 91 A V H <5S- 0 0 0 -4,-3.5 -1,-0.2 2,-0.2 -3,-0.2 0.726 107.3-128.5 -84.7 -20.2 64.1 21.7 43.2 69 92 A G T <5 + 0 0 14 -4,-2.5 148,-1.3 -5,-0.4 2,-0.3 0.829 70.0 95.8 79.6 35.0 67.1 23.7 41.9 70 93 A A B - 0 0 25 -2,-0.4 4,-2.0 1,-0.0 8,-0.3 -0.971 67.0-106.9-150.1 161.5 67.8 14.6 32.8 74 97 A P T 4 S+ 0 0 80 0, 0.0 7,-0.1 0, 0.0 8,-0.1 0.743 121.0 43.7 -64.0 -18.4 68.3 10.9 31.9 75 98 A K T 4 S+ 0 0 179 2,-0.1 -3,-0.0 3,-0.1 6,-0.0 0.915 121.5 30.6 -91.1 -51.8 72.0 11.8 31.6 76 99 A D T 4 S+ 0 0 57 1,-0.2 -5,-0.0 2,-0.1 138,-0.0 0.831 135.6 24.3 -78.9 -35.0 72.8 14.0 34.6 77 100 A T X + 0 0 0 -4,-2.0 4,-1.8 1,-0.1 -1,-0.2 -0.568 68.8 161.1-132.0 69.2 70.4 12.5 37.1 78 101 A P H > S+ 0 0 60 0, 0.0 4,-1.0 0, 0.0 -1,-0.1 0.836 78.2 46.3 -58.4 -39.1 69.6 8.9 35.8 79 102 A E H > S+ 0 0 53 2,-0.2 4,-2.3 1,-0.2 3,-0.3 0.889 111.5 51.0 -74.3 -37.4 68.3 7.7 39.2 80 103 A T H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.855 106.6 57.7 -65.2 -31.8 66.1 10.8 39.6 81 104 A W H X S+ 0 0 35 -4,-1.8 4,-0.7 -8,-0.3 -1,-0.2 0.799 109.8 41.7 -69.8 -30.0 64.8 10.1 36.1 82 105 A N H X S+ 0 0 82 -4,-1.0 4,-2.9 -3,-0.3 3,-0.2 0.842 108.5 60.5 -84.6 -33.3 63.6 6.6 37.0 83 106 A M H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.910 101.9 53.8 -56.3 -45.7 62.2 7.8 40.4 84 107 A L H X S+ 0 0 2 -4,-1.8 4,-0.8 1,-0.2 -1,-0.2 0.838 115.0 39.3 -59.0 -38.2 59.8 10.2 38.6 85 108 A Q H X S+ 0 0 90 -4,-0.7 4,-1.5 -3,-0.2 -1,-0.2 0.843 114.8 52.6 -81.0 -36.0 58.4 7.4 36.4 86 109 A N H X S+ 0 0 27 -4,-2.9 4,-1.9 1,-0.2 5,-0.2 0.880 108.8 50.6 -66.3 -40.6 58.4 4.8 39.2 87 110 A L H X>S+ 0 0 0 -4,-2.8 4,-2.3 -5,-0.2 5,-0.6 0.801 105.4 57.3 -68.1 -30.0 56.5 7.2 41.4 88 111 A L H X>S+ 0 0 35 -4,-0.8 4,-1.1 -5,-0.2 5,-0.9 0.887 107.9 47.1 -67.7 -39.5 53.9 7.8 38.6 89 112 A K H X>S+ 0 0 104 -4,-1.5 5,-2.3 3,-0.2 4,-0.7 0.958 122.2 32.0 -67.8 -52.3 53.2 4.0 38.4 90 113 A V H <>S+ 0 0 0 -4,-1.9 5,-1.6 3,-0.2 -2,-0.2 0.808 129.5 35.9 -78.1 -30.2 52.8 3.4 42.2 91 114 A G H <5S+ 0 0 1 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.899 124.1 34.3 -90.5 -46.4 51.4 6.7 43.2 92 115 A G H <X S+ 0 0 2 -3,-0.6 4,-2.4 2,-0.1 -1,-0.2 0.593 90.6 95.0-103.3 -14.5 44.3 5.2 43.4 97 120 A A H X S+ 0 0 49 -4,-1.6 4,-2.7 -3,-0.2 5,-0.3 0.882 83.2 42.4 -44.2 -66.6 43.1 2.0 41.6 98 121 A S H > S+ 0 0 46 -4,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.912 117.7 45.9 -56.1 -45.4 40.5 0.4 44.0 99 122 A A H > S+ 0 0 0 -4,-0.2 4,-1.4 1,-0.2 5,-0.3 0.908 114.5 49.7 -64.3 -39.6 38.9 3.7 45.0 100 123 A K H X S+ 0 0 15 -4,-2.4 4,-1.8 1,-0.2 5,-0.3 0.910 114.1 43.1 -64.1 -45.7 38.7 4.8 41.3 101 124 A K H < S+ 0 0 174 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.847 110.3 56.7 -71.0 -35.9 37.2 1.5 40.1 102 125 A Y H < S+ 0 0 154 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.838 121.0 24.7 -66.8 -36.0 34.7 1.2 42.9 103 126 A Y H < S- 0 0 64 -4,-1.4 -2,-0.2 28,-0.3 -1,-0.2 0.676 76.7-161.7-103.5 -21.9 33.0 4.6 42.4 104 127 A M < - 0 0 97 -4,-1.8 -3,-0.1 -5,-0.3 -4,-0.1 0.863 23.2-158.7 37.7 49.4 33.7 5.3 38.7 105 128 A R - 0 0 26 -5,-0.3 25,-2.1 26,-0.2 2,-0.2 -0.346 14.3-117.1 -61.3 131.9 32.9 8.9 39.4 106 129 A T - 0 0 78 -3,-0.2 -1,-0.1 23,-0.1 20,-0.1 -0.479 28.2-117.6 -71.7 136.5 31.9 10.9 36.3 107 130 A R >> - 0 0 7 -2,-0.2 4,-2.2 19,-0.2 3,-0.7 -0.434 18.2-121.2 -74.3 146.3 34.2 13.7 35.3 108 131 A P H 3> S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.879 110.7 55.3 -55.9 -41.2 32.8 17.3 35.3 109 132 A F H 3>>S+ 0 0 0 63,-1.2 5,-1.9 1,-0.2 4,-0.5 0.832 110.3 48.2 -63.4 -28.9 33.6 18.0 31.6 110 133 A V H X45S+ 0 0 42 -3,-0.7 3,-0.6 3,-0.2 -1,-0.2 0.930 111.3 49.1 -74.7 -44.9 31.6 14.9 30.8 111 134 A L H 3<5S+ 0 0 94 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.822 121.8 33.4 -63.8 -34.2 28.7 15.9 33.0 112 135 A F H 3<5S- 0 0 53 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.362 106.1-121.0-105.6 4.9 28.4 19.4 31.6 113 136 A N T <<5 + 0 0 70 -3,-0.6 2,-0.3 -4,-0.5 -3,-0.2 0.949 65.3 130.6 55.0 57.7 29.5 18.7 28.0 114 137 A H < - 0 0 44 -5,-1.9 -1,-0.2 58,-0.1 2,-0.2 -0.937 55.1-119.3-133.6 154.8 32.5 21.0 27.8 115 138 A S - 0 0 54 -2,-0.3 2,-0.1 1,-0.1 58,-0.0 -0.511 30.8-122.0 -90.6 166.8 36.0 20.2 26.6 116 139 A T - 0 0 6 -2,-0.2 56,-0.2 57,-0.0 -1,-0.1 -0.296 30.1 -92.1 -99.9-173.9 39.1 20.5 28.9 117 140 A a S S+ 0 0 13 54,-1.1 55,-0.1 1,-0.3 -64,-0.1 0.496 123.4 38.1 -77.0 -3.9 42.3 22.5 28.8 118 141 A R >> - 0 0 51 53,-0.2 3,-1.3 1,-0.1 4,-0.5 -0.555 67.6-176.3-149.8 78.7 43.9 19.5 27.1 119 142 A P G >4 S+ 0 0 73 0, 0.0 3,-0.5 0, 0.0 4,-0.4 0.661 73.7 75.9 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0.845 124.0 34.9 -59.2 -39.7 33.7 36.0 52.8 242 46 B D T 3 S+ 0 0 151 4,-0.1 -1,-0.3 5,-0.0 -2,-0.0 0.155 92.2 119.3-102.1 19.5 32.2 35.9 49.3 243 47 B D X> - 0 0 67 -3,-1.4 3,-1.5 1,-0.1 4,-1.4 -0.674 69.8-130.1 -86.7 135.0 34.3 32.9 48.2 244 48 B P H 3> S+ 0 0 12 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.799 108.3 59.4 -52.7 -29.2 32.4 29.8 47.1 245 49 B A H 3> S+ 0 0 9 1,-0.2 4,-2.0 2,-0.2 151,-0.2 0.790 101.0 52.1 -72.2 -29.1 34.6 27.7 49.4 246 50 B F H <> S+ 0 0 19 -3,-1.5 4,-2.2 -6,-0.3 -1,-0.2 0.822 104.5 57.2 -75.2 -28.6 33.6 29.7 52.5 247 51 B R H X S+ 0 0 115 -4,-1.4 4,-2.1 1,-0.2 -2,-0.2 0.906 108.1 48.2 -64.5 -39.9 29.9 29.0 51.5 248 52 B Y H X S+ 0 0 34 -4,-1.4 4,-2.9 1,-0.2 5,-0.2 0.911 107.3 55.4 -66.2 -42.3 31.0 25.4 51.7 249 53 B D H X S+ 0 0 1 -4,-2.0 4,-2.0 1,-0.2 146,-0.2 0.895 111.0 44.3 -57.5 -42.4 32.6 25.9 55.1 250 54 B K H X S+ 0 0 67 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.887 114.1 48.2 -70.7 -41.0 29.4 27.3 56.6 251 55 B E H X S+ 0 0 48 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.894 112.7 50.0 -65.4 -39.7 27.2 24.7 55.1 252 56 B A H X S+ 0 0 12 -4,-2.9 4,-1.4 1,-0.2 -2,-0.2 0.910 106.9 55.5 -64.8 -42.0 29.6 22.0 56.4 253 57 B Y H X S+ 0 0 5 -4,-2.0 4,-2.1 -5,-0.2 3,-0.3 0.919 109.2 45.9 -57.2 -45.8 29.5 23.6 59.8 254 58 B F H X S+ 0 0 91 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.770 105.3 59.6 -71.3 -25.6 25.7 23.3 60.0 255 59 B K H < S+ 0 0 134 -4,-1.5 4,-0.5 2,-0.2 -1,-0.2 0.828 111.4 43.3 -69.6 -29.2 25.7 19.7 58.8 256 60 B G H >< S+ 0 0 4 -4,-1.4 3,-1.0 -3,-0.3 -2,-0.2 0.879 108.0 55.0 -81.0 -41.3 27.8 18.9 61.8 257 61 B Y H >< S+ 0 0 88 -4,-2.1 3,-1.3 1,-0.2 -2,-0.2 0.856 103.1 63.5 -59.1 -31.4 25.9 21.0 64.3 258 62 B A T 3< S+ 0 0 78 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.760 96.2 52.7 -65.2 -31.2 22.9 18.9 63.1 259 63 B I T X S+ 0 0 61 -3,-1.0 3,-2.3 -4,-0.5 6,-0.4 0.202 76.2 146.2 -92.8 18.0 24.1 15.6 64.3 260 64 B K T < + 0 0 81 -3,-1.3 -3,-0.1 1,-0.3 130,-0.0 -0.363 68.7 23.2 -57.2 115.0 24.7 16.9 67.8 261 65 B G T 3 S+ 0 0 65 1,-0.3 -1,-0.3 -2,-0.3 -2,-0.1 0.328 96.3 116.8 109.2 -7.3 24.0 14.1 70.2 262 66 B S S <> S- 0 0 39 -3,-2.3 4,-1.5 1,-0.1 -1,-0.3 -0.237 81.5 -98.5 -85.1 177.3 24.5 11.1 67.8 263 67 B P H > S+ 0 0 112 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.915 125.3 50.2 -64.0 -42.1 27.2 8.4 68.0 264 68 B R H > S+ 0 0 47 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.875 108.1 53.8 -63.0 -36.6 29.5 10.2 65.6 265 69 B W H > S+ 0 0 52 -6,-0.4 4,-1.4 1,-0.2 -1,-0.2 0.845 106.0 53.3 -66.5 -32.4 29.1 13.4 67.6 266 70 B K H X S+ 0 0 134 -4,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.894 107.9 50.4 -67.6 -40.5 30.2 11.4 70.7 267 71 B Q H X S+ 0 0 55 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.912 105.8 56.4 -62.8 -43.8 33.3 10.3 68.8 268 72 B A H X S+ 0 0 0 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.849 105.9 50.9 -57.9 -36.6 34.0 13.9 67.8 269 73 B A H < S+ 0 0 20 -4,-1.4 4,-0.4 2,-0.2 -1,-0.2 0.851 111.4 46.7 -71.7 -35.5 34.0 15.0 71.5 270 74 B E H >< S+ 0 0 69 -4,-1.5 3,-0.9 1,-0.2 -2,-0.2 0.843 109.0 55.4 -74.6 -32.0 36.4 12.3 72.5 271 75 B D H 3< S+ 0 0 1 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.733 94.8 71.1 -70.2 -22.0 38.6 13.1 69.5 272 76 B A T 3< S+ 0 0 1 -4,-0.9 2,-0.9 -5,-0.2 -1,-0.2 0.725 78.4 82.8 -66.7 -26.9 38.8 16.7 70.8 273 77 B D < - 0 0 42 -3,-0.9 -1,-0.1 -4,-0.4 -4,-0.0 -0.728 55.7-178.7 -83.9 107.0 41.0 15.8 73.8 274 78 B I + 0 0 28 -2,-0.9 -1,-0.1 4,-0.1 -2,-0.1 0.244 32.4 134.2 -92.4 15.7 44.6 15.8 72.5 275 79 B S >> - 0 0 41 1,-0.1 4,-2.3 4,-0.0 3,-0.6 -0.379 69.7-116.6 -62.0 143.2 46.2 14.8 75.8 276 80 B V H 3> S+ 0 0 18 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.822 115.0 59.6 -51.9 -33.5 48.7 12.0 75.2 277 81 B E H 3> S+ 0 0 118 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.937 109.7 40.3 -60.1 -49.7 46.5 9.7 77.4 278 82 B N H <> S+ 0 0 10 -3,-0.6 4,-2.4 2,-0.2 -2,-0.2 0.859 113.1 53.8 -69.3 -38.1 43.5 10.1 75.1 279 83 B I H X S+ 0 0 1 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.878 109.9 48.9 -64.4 -38.1 45.5 9.9 71.9 280 84 B A H X S+ 0 0 4 -4,-2.1 4,-2.4 -5,-0.3 11,-0.2 0.932 109.9 51.3 -66.2 -46.1 47.0 6.6 73.1 281 85 B R H < S+ 0 0 122 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.928 113.3 45.6 -55.9 -48.0 43.6 5.2 74.0 282 86 B I H X S+ 0 0 15 -4,-2.4 4,-0.6 1,-0.2 -2,-0.2 0.925 119.3 37.2 -64.6 -47.7 42.2 6.1 70.6 283 87 B F H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.4 0.720 95.9 79.2 -83.0 -21.0 45.1 4.8 68.5 284 88 B S H X>S+ 0 0 13 -4,-2.4 5,-2.2 1,-0.2 4,-1.8 0.931 98.7 44.0 -51.5 -50.6 46.1 1.6 70.4 285 89 B P H 45S+ 0 0 78 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.869 115.2 49.8 -63.1 -36.7 43.2 -0.4 69.0 286 90 B V H <5S+ 0 0 21 -4,-0.6 -2,-0.2 1,-0.2 90,-0.2 0.914 116.9 37.7 -70.5 -44.2 43.8 0.9 65.5 287 91 B V H <5S- 0 0 0 -4,-3.0 -1,-0.2 2,-0.2 -3,-0.2 0.722 111.9-123.2 -80.0 -19.4 47.6 0.2 65.4 288 92 B G T <5S+ 0 0 5 -4,-1.8 148,-2.4 -5,-0.4 2,-0.3 0.856 71.3 96.6 83.5 37.8 46.9 -3.0 67.3 289 93 B A B - 0 0 25 -2,-0.7 4,-2.7 1,-0.0 8,-0.3 -0.985 62.7-113.1-149.5 156.3 51.6 3.1 77.6 293 97 B P T 4 S+ 0 0 77 0, 0.0 8,-0.1 0, 0.0 7,-0.1 0.744 118.6 41.0 -62.3 -22.2 54.4 4.9 79.3 294 98 B K T 4 S+ 0 0 174 2,-0.1 -3,-0.0 3,-0.1 6,-0.0 0.903 123.1 33.9 -90.5 -51.8 55.5 1.6 80.9 295 99 B D T 4 S+ 0 0 62 1,-0.2 -4,-0.1 2,-0.1 139,-0.1 0.849 133.1 26.9 -73.7 -37.1 55.0 -0.8 78.0 296 100 B T X + 0 0 0 -4,-2.7 4,-2.0 1,-0.1 -1,-0.2 -0.623 66.9 163.9-130.5 75.8 56.0 1.5 75.2 297 101 B P H > S+ 0 0 61 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.923 79.6 43.3 -55.6 -53.1 58.4 4.2 76.5 298 102 B E H > S+ 0 0 40 1,-0.2 4,-2.6 2,-0.2 127,-0.2 0.884 113.1 51.3 -65.1 -40.6 59.6 5.4 73.2 299 103 B T H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.855 106.9 55.5 -65.9 -33.3 56.2 5.4 71.5 300 104 B W H X S+ 0 0 37 -4,-2.0 4,-1.1 -8,-0.3 -1,-0.2 0.900 111.4 43.2 -65.1 -40.6 54.9 7.5 74.4 301 105 B N H X S+ 0 0 57 -4,-1.7 4,-2.8 2,-0.2 3,-0.2 0.893 109.8 57.1 -70.7 -40.4 57.5 10.1 73.8 302 106 B M H X S+ 0 0 3 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.948 103.2 54.7 -54.7 -50.5 57.0 9.9 70.0 303 107 B L H X S+ 0 0 1 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.845 114.4 39.7 -52.2 -40.0 53.3 10.8 70.6 304 108 B Q H X S+ 0 0 74 -4,-1.1 4,-1.7 -3,-0.2 -1,-0.2 0.834 112.6 54.8 -80.9 -33.8 54.2 13.9 72.5 305 109 B N H X S+ 0 0 11 -4,-2.8 4,-2.4 1,-0.2 5,-0.3 0.916 108.0 50.1 -65.2 -42.4 57.1 14.9 70.3 306 110 B L H X>S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 5,-0.9 0.873 105.3 56.2 -65.4 -37.3 54.9 14.9 67.2 307 111 B L H X>S+ 0 0 36 -4,-1.0 4,-1.5 -5,-0.3 5,-1.1 0.945 110.5 47.1 -58.5 -45.7 52.2 17.0 68.9 308 112 B K H X>S+ 0 0 93 -4,-1.7 5,-2.4 3,-0.2 4,-0.8 0.964 123.9 28.4 -60.7 -58.0 55.0 19.6 69.5 309 113 B V H <>S+ 0 0 0 -4,-2.4 5,-1.8 3,-0.2 -2,-0.2 0.839 132.3 35.3 -77.3 -32.2 56.5 19.7 66.0 310 114 B G H <5S+ 0 0 0 -4,-3.0 -3,-0.2 -5,-0.3 -2,-0.2 0.878 123.8 37.3 -89.2 -42.5 53.4 18.7 64.0 311 115 B G H <X S+ 0 0 0 -3,-0.9 4,-2.3 2,-0.1 -1,-0.2 0.540 89.8 100.1-113.5 -8.5 51.3 25.4 61.7 316 120 B A H X S+ 0 0 50 -4,-1.7 4,-2.6 -3,-0.3 5,-0.3 0.837 80.8 45.3 -47.2 -53.5 52.6 28.4 63.7 317 121 B S H > S+ 0 0 40 -4,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.917 116.0 43.9 -66.6 -42.8 53.4 30.9 60.9 318 122 B A H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.4 0.909 114.5 53.6 -66.1 -39.5 50.2 30.5 58.9 319 123 B K H X S+ 0 0 15 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.938 115.3 37.5 -57.6 -52.3 48.2 30.5 62.1 320 124 B K H < S+ 0 0 170 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.882 113.2 59.7 -68.3 -38.4 49.7 33.8 63.3 321 125 B Y H < S+ 0 0 144 -4,-2.7 -2,-0.2 -5,-0.3 -1,-0.2 0.886 121.1 20.7 -59.4 -43.6 49.6 35.2 59.8 322 126 B Y H < S- 0 0 62 -4,-2.2 -1,-0.2 28,-0.3 -2,-0.2 0.743 76.7-161.8 -99.6 -27.2 45.9 34.9 59.2 323 127 B M < - 0 0 108 -4,-2.1 -3,-0.1 -5,-0.4 -4,-0.1 0.883 24.3-162.4 42.8 47.9 44.5 34.7 62.7 324 128 B R - 0 0 27 26,-0.3 25,-2.0 -5,-0.2 2,-0.2 -0.299 15.9-114.5 -63.0 139.2 41.3 33.3 61.3 325 129 B T - 0 0 75 23,-0.1 -1,-0.1 -3,-0.1 23,-0.1 -0.507 28.6-120.0 -75.3 141.8 38.2 33.3 63.4 326 130 B R >> - 0 0 7 -2,-0.2 4,-2.3 18,-0.1 3,-0.6 -0.513 17.1-122.2 -80.9 149.2 36.7 30.0 64.5 327 131 B P H 3> S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.856 108.3 55.4 -59.7 -40.6 33.1 29.0 63.5 328 132 B F H 34>S+ 0 0 0 63,-1.2 5,-2.5 1,-0.2 4,-0.2 0.793 112.1 46.1 -65.9 -25.2 31.7 28.5 67.0 329 133 B V H X45S+ 0 0 45 -3,-0.6 3,-0.9 3,-0.2 -1,-0.2 0.925 111.1 51.6 -78.5 -49.0 32.9 32.0 67.9 330 134 B L H 3<5S+ 0 0 90 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.1 0.894 120.0 34.3 -54.3 -45.0 31.4 33.5 64.7 331 135 B F T 3<5S- 0 0 54 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.419 106.8-124.9 -93.2 1.4 28.0 31.9 65.3 332 136 B N T < 5 + 0 0 134 -3,-0.9 2,-0.3 -5,-0.2 -3,-0.2 0.942 63.9 136.9 54.0 52.4 28.2 32.3 69.0 333 137 B H < - 0 0 57 -5,-2.5 2,-0.3 -6,-0.2 -1,-0.2 -0.755 55.9-111.1-119.4 166.9 27.5 28.6 69.6 334 138 B S - 0 0 56 -2,-0.3 2,-0.1 -3,-0.1 -5,-0.0 -0.714 30.4-130.3 -98.2 155.0 29.2 26.2 72.0 335 139 B T - 0 0 4 -2,-0.3 56,-0.2 1,-0.1 -1,-0.1 -0.170 31.9 -95.0 -90.5-170.5 31.5 23.4 70.7 336 140 B b S S+ 0 0 10 54,-1.1 55,-0.1 1,-0.3 -64,-0.1 0.414 122.8 43.2 -86.5 3.0 31.4 19.7 71.5 337 141 B R > + 0 0 54 53,-0.3 3,-2.2 1,-0.1 4,-0.4 -0.477 65.5 177.3-148.0 67.8 34.1 20.4 74.2 338 142 B P G > S+ 0 0 75 0, 0.0 3,-1.5 0, 0.0 4,-0.4 0.762 73.8 72.6 -41.7 -39.4 33.2 23.6 76.1 339 143 B E G 3 S+ 0 0 141 1,-0.3 3,-0.2 2,-0.1 4,-0.2 0.726 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S+ 0 0 7 -3,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.849 113.0 53.9 -69.7 -37.4 30.8 6.9 22.6 717 83 D I H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.879 109.8 49.1 -65.1 -37.9 28.8 7.1 19.4 718 84 D A H X S+ 0 0 4 -4,-2.1 4,-2.4 -5,-0.3 11,-0.2 0.928 109.6 51.6 -66.5 -45.3 27.3 10.4 20.6 719 85 D R H < S+ 0 0 43 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.925 113.1 45.9 -56.8 -47.3 30.7 11.8 21.4 720 86 D I H X S+ 0 0 15 -4,-2.3 4,-0.6 1,-0.2 -2,-0.2 0.918 119.1 37.1 -65.3 -46.5 32.0 10.9 18.0 721 87 D F H X S+ 0 0 1 -4,-2.3 4,-3.0 1,-0.2 5,-0.4 0.725 95.9 79.2 -84.1 -20.6 29.2 12.2 15.9 722 88 D S H X>S+ 0 0 9 -4,-2.4 5,-2.1 1,-0.2 4,-1.8 0.930 98.7 44.1 -51.4 -50.3 28.2 15.4 17.8 723 89 D P H 45S+ 0 0 79 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.868 115.2 49.6 -63.3 -36.3 31.1 17.4 16.3 724 90 D V H <5S+ 0 0 22 -4,-0.6 -2,-0.2 1,-0.2 90,-0.2 0.905 116.8 37.8 -71.4 -43.2 30.4 16.0 12.9 725 91 D V H <5S- 0 0 0 -4,-3.0 -1,-0.2 2,-0.2 -3,-0.2 0.703 111.8-123.0 -81.3 -17.9 26.7 16.8 12.8 726 92 D G T <5S+ 0 0 5 -4,-1.8 148,-2.4 -5,-0.4 2,-0.3 0.853 71.6 97.2 82.1 37.6 27.4 20.0 14.6 727 93 D A B - 0 0 9 -2,-0.7 4,-2.7 1,-0.0 8,-0.3 -0.988 62.8-113.0-150.4 155.8 22.7 14.0 25.0 731 97 D P T 4 S+ 0 0 76 0, 0.0 8,-0.1 0, 0.0 7,-0.1 0.748 118.6 40.9 -61.7 -22.6 19.8 12.2 26.7 732 98 D K T 4 S+ 0 0 175 2,-0.1 -3,-0.0 3,-0.1 6,-0.0 0.905 123.2 33.8 -90.4 -52.2 18.8 15.5 28.3 733 99 D D T 4 S+ 0 0 55 1,-0.2 -4,-0.1 2,-0.1 139,-0.1 0.856 133.2 26.9 -73.3 -37.6 19.3 17.9 25.4 734 100 D T X + 0 0 0 -4,-2.7 4,-1.9 1,-0.1 -1,-0.2 -0.623 67.0 163.9-129.5 75.4 18.3 15.6 22.6 735 101 D P H > S+ 0 0 63 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.923 79.7 43.1 -55.0 -53.9 15.9 12.9 23.9 736 102 D E H > S+ 0 0 40 1,-0.2 4,-2.6 2,-0.2 127,-0.2 0.884 113.2 51.5 -64.5 -40.6 14.6 11.6 20.6 737 103 D T H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.850 106.9 55.2 -65.8 -32.9 18.1 11.7 19.0 738 104 D W H X S+ 0 0 37 -4,-1.9 4,-1.1 -8,-0.3 -1,-0.2 0.903 111.3 43.5 -65.5 -40.7 19.4 9.6 21.9 739 105 D N H X S+ 0 0 57 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.887 109.7 57.1 -70.6 -39.8 16.7 7.0 21.3 740 106 D M H X S+ 0 0 3 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.949 103.1 54.5 -55.4 -50.6 17.3 7.1 17.5 741 107 D L H X S+ 0 0 1 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.842 114.5 39.9 -52.5 -40.1 21.0 6.2 18.0 742 108 D Q H X S+ 0 0 74 -4,-1.1 4,-1.8 -3,-0.2 -1,-0.2 0.836 112.6 54.6 -80.8 -34.2 20.1 3.1 20.0 743 109 D N H X S+ 0 0 11 -4,-2.8 4,-2.4 1,-0.2 5,-0.3 0.916 108.2 50.2 -64.9 -42.1 17.1 2.1 17.8 744 110 D L H X>S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 5,-0.9 0.863 105.4 55.9 -65.5 -36.8 19.4 2.2 14.7 745 111 D L H X>S+ 0 0 35 -4,-1.1 4,-1.6 -5,-0.3 5,-1.1 0.947 110.6 47.1 -58.9 -46.4 22.0 0.0 16.4 746 112 D K H X>S+ 0 0 93 -4,-1.8 5,-2.4 3,-0.2 4,-0.8 0.956 123.8 28.2 -60.5 -57.7 19.3 -2.6 17.0 747 113 D V H <>S+ 0 0 0 -4,-2.4 5,-1.8 3,-0.2 -2,-0.2 0.835 132.4 35.5 -78.0 -32.1 17.7 -2.7 13.6 748 114 D G H <5S+ 0 0 0 -4,-3.0 -3,-0.2 -5,-0.3 -2,-0.2 0.876 123.8 37.3 -88.8 -42.8 20.8 -1.7 11.6 749 115 D G H <X S+ 0 0 1 -3,-1.0 4,-2.3 2,-0.1 -1,-0.2 0.534 89.9 100.4-114.5 -8.1 22.9 -8.4 9.3 754 120 D A H X S+ 0 0 50 -4,-1.7 4,-2.6 -3,-0.3 5,-0.3 0.833 80.8 44.9 -46.9 -54.5 21.6 -11.4 11.3 755 121 D S H > S+ 0 0 39 -4,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.914 116.0 44.1 -66.0 -43.7 20.8 -14.0 8.6 756 122 D A H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.4 0.911 114.4 53.5 -65.8 -39.3 24.0 -13.5 6.5 757 123 D K H X S+ 0 0 16 -4,-2.3 4,-2.2 1,-0.2 5,-0.2 0.942 115.2 37.7 -57.8 -52.8 26.0 -13.5 9.7 758 124 D K H < S+ 0 0 170 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.882 113.2 59.7 -67.3 -38.4 24.5 -16.8 10.9 759 125 D Y H < S+ 0 0 146 -4,-2.7 -2,-0.2 -5,-0.3 -1,-0.2 0.884 121.1 20.6 -59.8 -42.9 24.5 -18.3 7.5 760 126 D Y H < S- 0 0 63 -4,-2.2 -1,-0.2 28,-0.3 -2,-0.2 0.754 76.8-161.7 -99.8 -28.5 28.3 -18.0 6.8 761 127 D M < - 0 0 107 -4,-2.2 -3,-0.1 -5,-0.4 -4,-0.1 0.887 24.1-162.6 44.0 48.0 29.7 -17.7 10.4 762 128 D R - 0 0 28 26,-0.3 25,-2.0 -5,-0.2 2,-0.2 -0.308 15.9-114.8 -64.0 139.4 32.9 -16.3 8.9 763 129 D T - 0 0 74 23,-0.1 -1,-0.1 -3,-0.1 23,-0.1 -0.510 28.3-120.0 -75.5 141.7 36.0 -16.4 11.1 764 130 D R >> - 0 0 8 -2,-0.2 4,-2.2 18,-0.1 3,-0.7 -0.524 17.4-122.2 -81.1 148.8 37.5 -13.0 12.1 765 131 D P H 3> S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.853 108.1 56.0 -59.3 -40.4 41.1 -12.1 11.1 766 132 D F H 34>S+ 0 0 0 63,-1.2 5,-2.5 1,-0.2 4,-0.1 0.791 111.9 46.0 -66.4 -24.3 42.5 -11.5 14.6 767 133 D V H X45S+ 0 0 45 -3,-0.7 3,-0.9 3,-0.2 -1,-0.2 0.920 111.0 51.7 -78.9 -48.7 41.4 -15.1 15.5 768 134 D L H 3<5S+ 0 0 89 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.1 0.895 119.8 34.5 -54.4 -45.5 42.8 -16.6 12.3 769 135 D F T 3<5S- 0 0 55 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.412 106.8-124.9 -92.7 1.8 46.2 -15.0 12.9 770 136 D N T < 5 + 0 0 135 -3,-0.9 2,-0.3 -5,-0.2 -3,-0.2 0.941 64.0 137.1 53.8 51.4 46.0 -15.3 16.7 771 137 D H < - 0 0 56 -5,-2.5 2,-0.3 -6,-0.2 -1,-0.2 -0.751 55.8-111.2-118.6 166.8 46.7 -11.6 17.2 772 138 D S - 0 0 56 -2,-0.3 2,-0.1 -3,-0.1 -5,-0.0 -0.715 30.2-130.4 -98.3 155.4 45.0 -9.2 19.5 773 139 D T - 0 0 4 -2,-0.3 56,-0.2 1,-0.0 -1,-0.1 -0.161 31.8 -95.2 -90.6-170.4 42.7 -6.4 18.2 774 140 D d S S+ 0 0 11 54,-1.0 55,-0.1 1,-0.3 -64,-0.1 0.409 122.7 43.3 -87.7 3.7 42.8 -2.7 19.1 775 141 D R > + 0 0 27 53,-0.3 3,-2.3 1,-0.1 4,-0.4 -0.475 65.5 177.3-148.1 68.0 40.1 -3.4 21.7 776 142 D P G > S+ 0 0 76 0, 0.0 3,-1.6 0, 0.0 4,-0.4 0.774 74.0 72.6 -41.7 -39.5 41.0 -6.6 23.7 777 143 D E G 3 S+ 0 0 140 1,-0.3 3,-0.2 2,-0.1 4,-0.2 0.725 100.5 43.4 -52.7 -27.9 38.0 -6.2 26.0 778 144 D D G X> S+ 0 0 56 -3,-2.3 4,-2.6 1,-0.1 3,-0.8 0.494 85.0 95.3 -99.5 -4.8 35.5 -7.1 23.2 779 145 D E H <> S+ 0 0 27 -3,-1.6 4,-2.2 -4,-0.4 -1,-0.1 0.852 79.6 55.9 -56.1 -41.0 37.4 -10.1 21.7 780 146 D N H 34 S+ 0 0 118 -4,-0.4 4,-0.4 1,-0.2 -1,-0.2 0.840 114.1 42.5 -62.1 -31.6 35.5 -12.8 23.7 781 147 D T H X> S+ 0 0 96 -3,-0.8 3,-1.2 2,-0.2 4,-0.7 0.905 112.7 50.1 -79.2 -46.2 32.3 -11.4 22.3 782 148 D L H >< S+ 0 0 14 -4,-2.6 3,-0.5 1,-0.3 -2,-0.2 0.793 101.2 67.5 -62.2 -27.4 33.6 -10.9 18.7 783 149 D R T 3< S+ 0 0 125 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.794 103.6 42.8 -62.2 -30.6 34.8 -14.5 18.9 784 150 D K T <4 S+ 0 0 174 -3,-1.2 2,-0.4 -4,-0.4 -1,-0.2 0.562 101.0 85.3 -92.9 -11.6 31.2 -15.8 19.0 785 151 D D S << S- 0 0 61 -4,-0.7 -21,-0.1 -3,-0.5 -27,-0.0 -0.794 84.0-112.3-101.0 131.8 29.9 -13.5 16.3 786 152 D G - 0 0 3 -2,-0.4 -23,-0.1 1,-0.1 -28,-0.1 -0.284 22.0-142.7 -56.4 141.1 30.0 -14.2 12.6 787 153 D S + 0 0 0 -25,-2.0 45,-0.1 1,-0.1 -1,-0.1 0.772 62.4 102.4 -80.5 -28.5 32.3 -11.7 10.8 788 154 D Y S S+ 0 0 7 -31,-0.2 -28,-0.3 -32,-0.2 -26,-0.3 -0.924 82.0 18.8-117.1 123.6 30.4 -11.2 7.5 789 155 D P S S- 0 0 0 0, 0.0 2,-0.5 0, 0.0 47,-0.2 0.565 90.1-120.8 -90.7 173.0 28.9 -8.7 7.2 790 156 D S > - 0 0 0 45,-2.2 4,-1.9 1,-0.2 5,-0.1 -0.584 18.1-167.5 -74.5 117.4 30.1 -6.1 9.6 791 157 D G H > S+ 0 0 7 -2,-0.5 4,-2.3 2,-0.2 5,-0.2 0.838 89.4 57.3 -71.7 -33.5 27.3 -4.9 11.9 792 158 D H H > S+ 0 0 28 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.919 109.1 46.0 -60.8 -46.3 29.4 -2.0 13.1 793 159 D T H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.910 111.4 50.4 -62.9 -46.1 29.8 -0.8 9.5 794 160 D A H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.887 113.3 47.1 -60.9 -40.9 26.1 -1.2 8.7 795 161 D Y H X S+ 0 0 3 -4,-2.3 4,-3.1 2,-0.2 -2,-0.2 0.926 112.9 47.1 -68.3 -45.5 25.1 0.8 11.7 796 162 D S H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.868 114.3 47.2 -67.1 -35.4 27.6 3.6 11.1 797 163 D T H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.943 114.0 47.6 -69.3 -46.2 26.6 3.9 7.5 798 164 D L H X S+ 0 0 0 -4,-2.2 4,-2.9 -5,-0.3 -2,-0.2 0.952 112.8 49.3 -57.1 -50.9 22.9 3.9 8.4 799 165 D L H X S+ 0 0 1 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.881 109.2 51.2 -56.6 -43.9 23.6 6.5 11.1 800 166 D A H X S+ 0 0 0 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.910 113.4 46.1 -62.6 -41.0 25.5 8.7 8.8 801 167 D L H X S+ 0 0 3 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.916 112.2 49.5 -67.7 -44.6 22.6 8.6 6.3 802 168 D V H >X S+ 0 0 0 -4,-2.9 4,-1.2 1,-0.2 3,-0.6 0.924 113.1 46.7 -61.8 -43.9 20.0 9.2 8.9 803 169 D L H 3X S+ 0 0 2 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.783 106.6 58.6 -69.6 -26.2 21.8 12.2 10.3 804 170 D S H 3< S+ 0 0 9 -4,-1.4 -1,-0.2 -5,-0.2 7,-0.2 0.740 104.9 52.4 -71.1 -24.1 22.4 13.5 6.7 805 171 D Q H << S+ 0 0 10 -4,-1.1 -2,-0.2 -3,-0.6 -1,-0.2 0.823 113.3 41.9 -80.3 -33.3 18.6 13.5 6.4 806 172 D A H < S+ 0 0 2 -4,-1.2 -2,-0.2 1,-0.2 -1,-0.1 0.750 133.3 20.6 -84.8 -25.0 18.1 15.5 9.6 807 173 D R S >< S+ 0 0 25 -4,-1.8 3,-2.2 -5,-0.1 -1,-0.2 -0.485 71.0 172.7-144.9 65.5 20.9 18.0 8.9 808 174 D P G > S+ 0 0 36 0, 0.0 3,-1.4 0, 0.0 4,-0.2 0.629 71.8 69.4 -52.1 -23.1 21.7 17.9 5.2 809 175 D E G 3 S+ 0 0 108 1,-0.3 3,-0.1 2,-0.1 -5,-0.1 0.580 101.1 51.0 -76.5 -3.7 24.2 20.8 5.2 810 176 D R G <> S+ 0 0 66 -3,-2.2 4,-2.4 -7,-0.2 3,-0.3 0.219 77.5 112.9-109.9 8.4 26.5 18.4 7.1 811 177 D A H <> S+ 0 0 4 -3,-1.4 4,-2.8 1,-0.2 5,-0.2 0.863 72.8 50.7 -50.2 -48.0 26.1 15.5 4.6 812 178 D Q H > S+ 0 0 55 -4,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.881 113.0 44.9 -63.7 -38.5 29.7 15.5 3.3 813 179 D E H > S+ 0 0 39 -3,-0.3 4,-2.8 2,-0.2 5,-0.2 0.894 115.6 47.3 -70.8 -41.1 31.3 15.4 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