==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN STORAGE/TRANSPORT 11-DEC-02 1NEJ . COMPND 2 MOLECULE: HEMOGLOBIN ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.N.PATSKOVSKA,Y.V.PATSKOVSKY,S.C.ALMO,R.E.HIRSCH . 574 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24376.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 421 73.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 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 . 21 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 305 53.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.3 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 3 2 0 2 1 2 1 3 1 0 0 2 0 6 3 3 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 . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 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 1 A V 0 0 65 0, 0.0 2,-0.3 0, 0.0 427,-0.1 0.000 360.0 360.0 360.0-172.4 25.1 12.9 64.1 2 2 A L - 0 0 19 427,-0.1 427,-0.1 1,-0.1 122,-0.0 -0.729 360.0-121.9-107.9 142.5 23.9 10.2 61.6 3 3 A S > - 0 0 13 425,-0.3 4,-1.9 -2,-0.3 3,-0.3 -0.289 29.7-114.8 -73.0 155.1 22.7 6.6 62.2 4 4 A P H > S+ 0 0 76 0, 0.0 4,-1.3 0, 0.0 5,-0.1 0.923 122.3 53.6 -60.0 -34.1 24.6 3.9 60.4 5 5 A A H > S+ 0 0 51 425,-0.4 4,-2.3 1,-0.2 5,-0.1 0.766 105.6 54.2 -67.1 -27.8 21.3 3.2 58.5 6 6 A D H > S+ 0 0 18 -3,-0.3 4,-1.2 2,-0.2 5,-0.2 0.886 102.3 56.1 -73.9 -39.7 21.3 6.9 57.6 7 7 A K H X S+ 0 0 65 -4,-1.9 4,-1.1 1,-0.2 -2,-0.2 0.834 114.4 40.6 -62.3 -28.3 24.8 6.6 56.1 8 8 A T H X S+ 0 0 78 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.884 109.7 56.9 -85.8 -41.7 23.4 3.9 53.9 9 9 A N H < S+ 0 0 48 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.590 110.4 45.8 -65.8 -16.9 20.0 5.6 53.0 10 10 A V H >X S+ 0 0 2 -4,-1.2 4,-3.3 3,-0.1 3,-0.6 0.853 111.1 52.2 -90.1 -45.0 21.8 8.7 51.7 11 11 A K H 3< S+ 0 0 96 -4,-1.1 4,-0.3 1,-0.2 -2,-0.2 0.829 114.5 42.0 -59.1 -36.0 24.3 6.6 49.7 12 12 A A T 3< S+ 0 0 53 -4,-2.1 -1,-0.2 2,-0.2 -3,-0.1 0.577 117.9 46.2 -88.4 -15.0 21.6 4.6 48.0 13 13 A A T X4 S+ 0 0 2 -3,-0.6 3,-0.8 -5,-0.2 -2,-0.2 0.838 118.1 40.3 -92.0 -43.2 19.3 7.6 47.4 14 14 A W G >X S+ 0 0 29 -4,-3.3 3,-0.7 1,-0.3 4,-0.7 0.642 108.7 65.7 -78.1 -15.6 22.0 9.8 46.1 15 15 A G G 34 S+ 0 0 52 -5,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 -0.157 99.0 52.2 -94.7 31.4 23.2 6.7 44.3 16 16 A K G <4 S+ 0 0 131 -3,-0.8 -1,-0.2 2,-0.1 -2,-0.2 0.137 90.8 76.6-144.4 1.4 19.9 6.8 42.2 17 17 A V T <4 S+ 0 0 5 -3,-0.7 3,-0.5 1,-0.2 2,-0.3 0.950 75.1 177.6 -77.3 -57.8 20.4 10.5 41.2 18 18 A G >< - 0 0 55 -4,-0.7 3,-0.6 1,-0.2 -1,-0.2 -0.677 61.4 -23.5 91.2-150.1 23.0 9.6 38.5 19 19 A A T > S+ 0 0 99 -2,-0.3 3,-0.6 1,-0.2 4,-0.3 0.388 119.3 92.8 -74.8 3.8 24.6 12.1 36.2 20 20 A H T 3> + 0 0 93 -3,-0.5 4,-2.5 1,-0.2 5,-0.3 0.195 50.8 108.2 -79.6 12.2 21.4 14.0 37.0 21 21 A A H <> S+ 0 0 6 -3,-0.6 4,-2.8 1,-0.2 -1,-0.2 0.914 80.3 42.3 -57.3 -47.8 23.4 15.7 39.8 22 22 A G H <> S+ 0 0 11 -3,-0.6 4,-1.8 2,-0.2 -1,-0.2 0.897 113.3 51.7 -68.4 -41.5 23.6 19.1 38.0 23 23 A E H > S+ 0 0 104 -4,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.916 117.4 39.8 -61.0 -46.0 20.0 19.0 36.8 24 24 A Y H X S+ 0 0 15 -4,-2.5 4,-3.1 2,-0.2 -2,-0.2 0.907 116.0 50.2 -69.8 -44.8 18.8 18.3 40.3 25 25 A G H X S+ 0 0 1 -4,-2.8 4,-1.4 34,-0.3 -2,-0.2 0.710 111.4 49.8 -67.0 -24.3 21.2 20.7 41.8 26 26 A A H X S+ 0 0 4 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.863 111.1 48.7 -80.1 -39.4 20.1 23.3 39.3 27 27 A E H X S+ 0 0 24 -4,-1.9 4,-3.3 2,-0.2 5,-0.2 0.952 110.8 50.9 -65.3 -45.4 16.5 22.7 40.2 28 28 A A H X S+ 0 0 0 -4,-3.1 4,-1.6 1,-0.2 -1,-0.2 0.912 113.7 44.8 -55.6 -47.0 17.3 22.9 43.9 29 29 A L H X S+ 0 0 3 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.898 115.1 47.6 -67.0 -39.3 19.1 26.2 43.3 30 30 A E H X S+ 0 0 29 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.893 109.9 52.6 -71.3 -37.7 16.2 27.5 41.1 31 31 A R H X S+ 0 0 0 -4,-3.3 4,-2.1 1,-0.2 -1,-0.2 0.838 111.3 47.9 -65.2 -31.6 13.6 26.5 43.6 32 32 A M H X S+ 0 0 8 -4,-1.6 4,-3.0 -5,-0.2 7,-0.3 0.920 110.9 47.9 -75.4 -47.3 15.5 28.4 46.3 33 33 A F H < S+ 0 0 8 -4,-2.0 7,-0.2 1,-0.2 -2,-0.2 0.789 118.1 43.3 -62.7 -35.5 16.0 31.7 44.4 34 34 A L H < S+ 0 0 69 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.917 121.1 37.4 -76.4 -50.3 12.3 31.6 43.4 35 35 A S H < S+ 0 0 14 -4,-2.1 -2,-0.2 1,-0.3 -3,-0.2 0.847 132.0 24.6 -72.7 -41.3 10.8 30.6 46.7 36 36 A F S >< S- 0 0 29 -4,-3.0 3,-1.7 -5,-0.2 -1,-0.3 -0.821 70.6-174.7-128.8 86.0 13.1 32.6 49.0 37 37 A P G > S+ 0 0 72 0, 0.0 3,-0.9 0, 0.0 4,-0.4 0.520 73.5 77.9 -61.8 -7.0 14.5 35.5 46.9 38 38 A T G > S+ 0 0 51 1,-0.2 3,-1.1 2,-0.2 4,-0.1 0.769 81.3 67.6 -74.0 -24.1 16.8 36.7 49.7 39 39 A T G X S+ 0 0 2 -3,-1.7 3,-0.9 -7,-0.3 -1,-0.2 0.641 86.8 70.5 -69.9 -13.4 19.2 33.8 48.8 40 40 A K G X S+ 0 0 72 -3,-0.9 3,-2.7 1,-0.2 -1,-0.3 0.865 82.1 70.6 -70.7 -34.9 19.7 35.8 45.5 41 41 A T G < S+ 0 0 86 -3,-1.1 -1,-0.2 -4,-0.4 -2,-0.2 0.542 89.7 63.1 -62.1 -7.3 21.7 38.4 47.5 42 42 A Y G < S+ 0 0 26 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.609 104.4 48.4 -90.1 -14.3 24.4 35.8 47.9 43 43 A F X + 0 0 34 -3,-2.7 3,-0.8 -4,-0.2 -1,-0.2 -0.652 55.4 145.6-127.0 73.3 25.0 35.8 44.2 44 44 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.804 78.0 58.3 -79.5 -21.9 25.3 39.4 42.7 45 45 A H T 3 S+ 0 0 128 -3,-0.2 2,-0.4 2,-0.1 -2,-0.0 0.149 95.3 99.7 -87.1 15.6 27.8 38.1 40.1 46 46 A F S < S- 0 0 31 -3,-0.8 2,-1.0 -6,-0.2 -3,-0.1 -0.887 74.3-132.6-116.7 143.0 25.2 35.6 38.8 47 47 A D - 0 0 89 -2,-0.4 2,-0.9 1,-0.1 8,-0.5 -0.789 29.2-171.9 -81.0 96.4 22.8 35.5 36.0 48 48 A L + 0 0 51 -2,-1.0 2,-0.2 -4,-0.1 -1,-0.1 -0.617 38.7 117.7 -99.9 68.0 19.8 34.4 38.0 49 49 A S S S- 0 0 69 -2,-0.9 3,-0.3 1,-0.0 2,-0.2 -0.639 74.0 -76.6-118.6 176.1 17.4 33.6 35.2 50 50 A H S S+ 0 0 156 -2,-0.2 3,-0.1 1,-0.2 -1,-0.0 -0.581 115.7 10.0 -78.6 139.6 15.7 30.4 34.0 51 51 A G S S+ 0 0 45 -2,-0.2 -1,-0.2 1,-0.2 5,-0.1 0.122 86.2 167.5 79.6 -18.5 17.9 28.0 32.1 52 52 A S > - 0 0 9 -3,-0.3 4,-3.3 1,-0.2 5,-0.3 0.053 34.6-147.8 -35.2 112.2 21.0 30.0 33.1 53 53 A A T 4 S+ 0 0 90 1,-0.2 -1,-0.2 2,-0.2 -2,-0.0 0.484 99.4 58.3 -65.1 -4.6 24.1 27.9 32.3 54 54 A Q T > S+ 0 0 72 -7,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.902 111.8 37.4 -86.8 -51.9 25.7 29.7 35.2 55 55 A V H > S+ 0 0 2 -8,-0.5 4,-2.6 1,-0.3 3,-0.2 0.877 120.1 48.1 -65.7 -40.0 23.1 28.4 37.7 56 56 A K H < S+ 0 0 60 -4,-3.3 -1,-0.3 1,-0.2 -3,-0.2 0.717 114.0 49.2 -72.6 -17.4 23.0 25.1 35.9 57 57 A G H > S+ 0 0 26 -5,-0.3 4,-0.9 -3,-0.2 -2,-0.3 0.602 110.7 48.4 -94.2 -18.9 26.8 25.2 36.1 58 58 A H H X S+ 0 0 40 -4,-1.1 4,-2.8 -3,-0.2 3,-0.3 0.926 103.2 60.3 -83.0 -50.8 26.8 26.0 39.8 59 59 A G H X S+ 0 0 0 -4,-2.6 4,-1.4 1,-0.2 -34,-0.3 0.588 102.5 56.3 -51.6 -14.9 24.3 23.2 40.6 60 60 A K H > S+ 0 0 98 2,-0.2 4,-1.3 3,-0.1 -1,-0.2 0.957 110.9 39.2 -81.6 -57.2 26.9 20.9 39.2 61 61 A K H X S+ 0 0 128 -4,-0.9 4,-1.2 -3,-0.3 -2,-0.2 0.830 119.8 49.9 -59.3 -38.6 29.7 21.9 41.5 62 62 A V H X S+ 0 0 31 -4,-2.8 4,-1.5 2,-0.2 3,-0.5 0.944 113.3 43.5 -66.5 -49.6 27.1 22.1 44.3 63 63 A A H < S+ 0 0 1 -4,-1.4 -2,-0.2 -5,-0.3 -1,-0.2 0.629 116.7 49.4 -74.4 -12.1 25.7 18.7 43.6 64 64 A D H X S+ 0 0 64 -4,-1.3 4,-0.9 2,-0.2 -1,-0.2 0.628 105.5 54.4 -98.6 -18.5 29.3 17.4 43.2 65 65 A A H X S+ 0 0 23 -4,-1.2 4,-0.7 -3,-0.5 -2,-0.2 0.766 108.1 52.3 -78.0 -33.5 30.5 19.0 46.5 66 66 A L H X S+ 0 0 19 -4,-1.5 4,-0.6 1,-0.2 -1,-0.2 0.647 103.0 61.5 -72.6 -18.4 27.6 17.0 48.0 67 67 A T H > S+ 0 0 58 2,-0.2 4,-1.1 1,-0.2 -2,-0.2 0.851 103.9 43.7 -80.0 -37.7 28.9 13.9 46.4 68 68 A N H X S+ 0 0 50 -4,-0.9 4,-1.8 2,-0.2 -1,-0.2 0.680 110.9 58.0 -79.2 -17.3 32.3 13.8 48.1 69 69 A A H < S+ 0 0 0 -4,-0.7 -1,-0.2 2,-0.2 -2,-0.2 0.727 107.8 45.9 -79.0 -27.6 30.4 14.6 51.3 70 70 A V H < S+ 0 0 8 -4,-0.6 3,-0.5 -60,-0.1 -2,-0.2 0.747 111.9 55.7 -83.0 -28.5 28.3 11.4 50.7 71 71 A A H < S+ 0 0 51 -4,-1.1 2,-1.0 1,-0.3 3,-0.2 1.000 122.7 18.8 -65.0 -76.0 31.6 9.6 50.0 72 72 A H S < S+ 0 0 77 -4,-1.8 3,-0.4 1,-0.2 -1,-0.3 -0.829 74.9 155.8-103.6 84.5 33.6 10.2 53.2 73 73 A V S > S+ 0 0 13 -2,-1.0 3,-1.6 -3,-0.5 2,-0.3 0.832 71.2 57.9 -72.6 -43.3 30.7 11.2 55.5 74 74 A D T 3 S+ 0 0 117 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.0 -0.093 109.9 46.0 -84.1 36.1 32.7 10.3 58.6 75 75 A D T >> S+ 0 0 69 -3,-0.4 4,-2.3 -2,-0.3 3,-0.8 0.092 72.8 134.4-160.3 18.6 35.4 12.7 57.6 76 76 A M H <> + 0 0 13 -3,-1.6 4,-2.0 1,-0.2 -2,-0.1 0.761 68.0 53.5 -49.6 -40.2 33.1 15.7 56.7 77 77 A P H 34 S+ 0 0 44 0, 0.0 -1,-0.2 0, 0.0 7,-0.2 0.915 115.0 40.4 -67.7 -34.1 35.1 18.4 58.5 78 78 A N H X4 S+ 0 0 115 -3,-0.8 3,-0.7 1,-0.2 -2,-0.2 0.878 118.4 47.0 -75.7 -42.2 38.4 17.5 56.7 79 79 A A H 3< S+ 0 0 26 -4,-2.3 3,-0.3 1,-0.2 -1,-0.2 0.789 116.0 43.0 -71.3 -33.0 36.8 16.9 53.3 80 80 A L T 3X S+ 0 0 1 -4,-2.0 4,-2.3 -5,-0.3 -1,-0.2 0.186 79.1 114.5-102.6 20.9 34.7 20.1 53.3 81 81 A S H <> S+ 0 0 48 -3,-0.7 4,-1.6 1,-0.2 -1,-0.2 0.790 78.1 46.0 -59.0 -36.8 37.5 22.3 54.6 82 82 A A H > S+ 0 0 79 -3,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.847 114.4 49.0 -75.7 -33.8 37.8 24.4 51.4 83 83 A L H > S+ 0 0 45 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.818 112.5 47.4 -74.5 -32.3 34.0 24.8 51.3 84 84 A S H X>S+ 0 0 0 -4,-2.3 5,-1.7 2,-0.2 4,-1.6 0.845 107.6 56.3 -76.8 -33.4 33.9 25.8 54.9 85 85 A D H <>S+ 0 0 65 -4,-1.6 5,-1.6 -5,-0.2 -2,-0.2 0.824 116.2 39.3 -65.4 -31.3 36.8 28.3 54.2 86 86 A L H X>S+ 0 0 71 -4,-1.1 5,-3.9 3,-0.2 4,-0.5 0.987 125.0 32.2 -80.6 -65.1 34.5 29.8 51.6 87 87 A H H <>S+ 0 0 44 -4,-2.8 6,-1.7 3,-0.2 5,-1.6 0.892 132.0 27.8 -62.6 -51.5 31.0 29.7 53.2 88 88 A A T <5S+ 0 0 6 -4,-1.6 -3,-0.2 48,-0.3 51,-0.2 0.954 131.9 30.4 -79.7 -54.1 32.0 30.2 56.9 89 89 A H T 4> - 0 0 11 -2,-0.4 3,-1.8 374,-0.2 4,-0.6 -0.451 21.6-131.4 -65.8 124.9 23.5 32.8 57.4 95 95 A P H 3> S+ 0 0 33 0, 0.0 4,-1.0 0, 0.0 -1,-0.1 0.525 101.1 73.5 -57.6 -9.2 22.6 29.1 58.3 96 96 A V H 3> S+ 0 0 32 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.837 93.5 54.8 -73.8 -30.6 18.9 29.8 57.6 97 97 A N H <> S+ 0 0 19 -3,-1.8 4,-2.8 2,-0.2 5,-0.2 0.865 102.9 55.1 -68.3 -35.1 19.9 29.8 53.9 98 98 A F H X S+ 0 0 27 -4,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.836 107.4 50.0 -67.9 -29.7 21.4 26.4 54.3 99 99 A K H X S+ 0 0 117 -4,-1.0 4,-1.7 2,-0.2 -2,-0.2 0.863 110.1 51.9 -75.1 -35.1 18.0 25.3 55.7 100 100 A L H X S+ 0 0 29 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.919 113.8 41.1 -68.4 -44.3 16.4 26.9 52.6 101 101 A L H X S+ 0 0 38 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.932 112.5 55.3 -69.8 -42.1 18.6 25.1 50.1 102 102 A S H X S+ 0 0 10 -4,-2.1 4,-0.8 1,-0.2 -2,-0.2 0.841 110.2 47.5 -57.7 -35.0 18.5 21.8 52.1 103 103 A H H X S+ 0 0 18 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.863 112.4 47.3 -72.5 -43.0 14.7 22.0 51.9 104 104 A C H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.851 106.9 58.2 -69.7 -29.0 14.7 22.7 48.1 105 105 A L H X S+ 0 0 5 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.796 109.3 45.8 -69.3 -28.9 17.2 19.9 47.7 106 106 A L H X S+ 0 0 2 -4,-0.8 4,-1.0 -5,-0.2 -1,-0.2 0.753 109.3 52.7 -84.3 -31.2 14.5 17.6 49.2 107 107 A V H X S+ 0 0 0 -4,-1.4 4,-1.1 2,-0.2 -2,-0.2 0.888 111.1 49.6 -69.6 -38.3 11.6 19.0 47.2 108 108 A T H >X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 3,-1.3 0.980 112.0 45.3 -61.9 -60.8 13.7 18.3 44.0 109 109 A L H 3X S+ 0 0 4 -4,-1.7 4,-2.2 1,-0.3 -1,-0.2 0.714 113.7 51.5 -57.5 -25.0 14.6 14.6 45.0 110 110 A A H 3< S+ 0 0 0 -4,-1.0 -1,-0.3 2,-0.2 -2,-0.2 0.699 111.1 47.6 -83.5 -26.5 11.0 14.1 46.0 111 111 A A H << S+ 0 0 9 -3,-1.3 -2,-0.2 -4,-1.1 151,-0.2 0.866 124.9 29.9 -79.8 -39.1 9.8 15.4 42.6 112 112 A H H < S+ 0 0 51 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.792 127.8 33.8 -94.4 -32.9 12.3 13.3 40.7 113 113 A L >X + 0 0 21 -4,-2.2 3,-1.0 -5,-0.2 4,-0.9 -0.395 63.4 160.9-122.6 61.8 12.9 10.1 42.7 114 114 A P T 34 S+ 0 0 58 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.770 76.4 51.9 -54.0 -24.2 9.4 9.4 44.4 115 115 A A T 34 S+ 0 0 90 1,-0.2 -2,-0.1 -3,-0.1 -5,-0.1 0.825 109.3 48.0 -82.1 -33.6 10.3 5.8 45.1 116 116 A E T <4 S+ 0 0 52 -3,-1.0 2,-1.0 -7,-0.2 -1,-0.2 0.427 93.9 84.7 -85.8 -1.4 13.6 6.6 46.8 117 117 A F < + 0 0 3 -4,-0.9 -1,-0.2 -7,-0.1 -104,-0.0 -0.689 58.8 159.4-105.5 75.5 11.9 9.2 48.9 118 118 A T >> - 0 0 59 -2,-1.0 4,-2.6 1,-0.1 3,-0.6 -0.608 57.1-106.7 -90.3 154.7 10.6 7.1 51.7 119 119 A P H 3> S+ 0 0 25 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.783 124.4 50.8 -53.8 -25.0 9.7 8.7 55.1 120 120 A A H 3> S+ 0 0 32 2,-0.2 4,-1.5 1,-0.1 -111,-0.1 0.810 110.9 45.2 -80.8 -35.1 12.8 7.0 56.5 121 121 A V H <> S+ 0 0 9 -3,-0.6 4,-3.2 2,-0.2 5,-0.2 0.816 107.3 58.9 -79.9 -29.3 15.1 8.4 53.7 122 122 A H H X S+ 0 0 1 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.973 109.3 46.4 -58.7 -49.7 13.6 11.9 54.0 123 123 A A H X S+ 0 0 13 -4,-1.3 4,-2.2 1,-0.2 -2,-0.2 0.878 114.2 46.2 -59.1 -45.0 14.8 11.8 57.6 124 124 A S H X S+ 0 0 2 -4,-1.5 4,-2.7 2,-0.2 -1,-0.2 0.932 114.5 46.7 -66.8 -46.9 18.2 10.5 56.7 125 125 A L H X S+ 0 0 5 -4,-3.2 4,-2.4 2,-0.2 -2,-0.2 0.869 112.5 49.8 -64.4 -39.9 18.7 13.0 53.9 126 126 A D H X S+ 0 0 32 -4,-3.0 4,-2.8 -5,-0.2 -1,-0.2 0.926 112.2 48.6 -65.4 -40.2 17.5 15.9 56.0 127 127 A K H X S+ 0 0 47 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.906 112.3 49.7 -64.8 -40.8 19.9 14.7 58.8 128 128 A F H X S+ 0 0 7 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.881 112.9 44.7 -64.0 -44.9 22.7 14.5 56.2 129 129 A L H X S+ 0 0 11 -4,-2.4 4,-3.3 2,-0.2 -2,-0.2 0.919 110.4 54.8 -68.6 -39.1 22.0 18.0 54.8 130 130 A A H X S+ 0 0 45 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.942 111.6 46.0 -58.1 -44.6 21.7 19.4 58.3 131 131 A S H X S+ 0 0 30 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.855 111.4 49.6 -66.6 -40.1 25.2 17.9 59.0 132 132 A V H X S+ 0 0 10 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.963 111.8 51.2 -63.9 -43.3 26.7 19.2 55.7 133 133 A S H X S+ 0 0 15 -4,-3.3 4,-1.8 1,-0.2 -2,-0.2 0.892 108.6 50.8 -58.3 -43.9 25.2 22.6 56.7 134 134 A T H X S+ 0 0 66 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.898 111.9 46.2 -62.2 -44.6 26.8 22.5 60.1 135 135 A V H < S+ 0 0 8 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.880 116.8 45.6 -68.6 -35.5 30.3 21.7 58.7 136 136 A L H < S+ 0 0 14 -4,-2.5 -48,-0.3 1,-0.2 -2,-0.2 0.666 113.7 47.7 -82.4 -19.9 29.9 24.5 56.1 137 137 A T H < S+ 0 0 31 -4,-1.8 2,-0.3 -5,-0.2 -1,-0.2 0.561 100.3 83.0 -96.3 -9.2 28.6 27.1 58.5 138 138 A S < - 0 0 14 -4,-1.0 2,-0.8 -5,-0.2 -50,-0.2 -0.720 69.9-138.6-103.8 145.0 31.2 26.5 61.1 139 139 A K + 0 0 54 -2,-0.3 153,-0.3 -51,-0.2 -3,-0.1 -0.878 30.4 164.1 -98.7 101.0 34.8 27.9 61.4 140 140 A Y 0 0 21 -2,-0.8 -1,-0.1 -5,-0.2 151,-0.1 -0.036 360.0 360.0-110.3 34.2 36.9 25.0 62.5 141 141 A R 0 0 120 151,-0.1 153,-0.5 152,-0.1 -2,-0.1 -0.123 360.0 360.0 -51.0 360.0 40.4 26.4 61.7 142 !* 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 0.0 143 1 B V 0 0 41 0, 0.0 2,-0.6 0, 0.0 79,-0.1 0.000 360.0 360.0 360.0 148.2 -0.6 36.3 52.4 144 2 B H + 0 0 151 77,-0.1 2,-0.3 130,-0.0 77,-0.1 -0.841 360.0 167.7 -97.5 116.0 -0.7 38.5 49.2 145 3 B L - 0 0 30 -2,-0.6 5,-0.0 2,-0.0 126,-0.0 -0.877 39.6 -89.6-123.6 159.0 0.4 36.7 46.1 146 4 B T >> - 0 0 70 -2,-0.3 4,-1.9 1,-0.1 3,-0.7 -0.391 39.6-111.2 -70.2 141.8 0.1 37.5 42.3 147 5 B P H 3> S+ 0 0 104 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.715 117.5 53.4 -42.1 -35.0 -3.1 36.3 40.3 148 6 B V H 3> S+ 0 0 100 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.929 112.2 44.1 -69.2 -44.6 -1.2 33.7 38.3 149 7 B E H <> S+ 0 0 25 -3,-0.7 4,-1.3 2,-0.2 -1,-0.2 0.784 109.9 56.1 -71.6 -28.8 0.2 32.1 41.5 150 8 B K H X S+ 0 0 87 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.878 113.2 41.6 -70.7 -36.4 -3.3 32.4 43.2 151 9 B S H X S+ 0 0 78 -4,-1.5 4,-1.9 -5,-0.2 -2,-0.2 0.857 110.0 57.7 -78.0 -35.3 -4.7 30.4 40.2 152 10 B A H X S+ 0 0 36 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.770 109.4 44.5 -66.5 -30.5 -1.7 27.9 40.1 153 11 B V H X S+ 0 0 0 -4,-1.3 4,-2.6 2,-0.2 5,-0.2 0.841 110.1 54.2 -82.2 -35.6 -2.2 26.8 43.7 154 12 B T H X S+ 0 0 76 -4,-1.2 4,-1.3 1,-0.2 -2,-0.2 0.883 112.3 44.5 -65.4 -38.5 -6.0 26.5 43.5 155 13 B A H < S+ 0 0 64 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.831 115.2 47.0 -75.3 -35.0 -5.6 24.1 40.4 156 14 B L H >< S+ 0 0 7 -4,-1.1 3,-1.0 2,-0.2 -2,-0.2 0.873 116.6 44.1 -73.0 -40.9 -2.8 22.1 42.1 157 15 B W H >< S+ 0 0 31 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.804 104.6 65.7 -73.1 -27.2 -4.8 21.8 45.3 158 16 B G T 3< S+ 0 0 66 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.538 104.0 46.2 -71.2 -6.8 -7.8 21.1 43.1 159 17 B K T < S+ 0 0 138 -3,-1.0 -1,-0.3 2,-0.0 -2,-0.2 0.286 88.9 128.1-115.2 5.6 -6.0 17.9 42.1 160 18 B V < - 0 0 18 -3,-1.7 2,-1.4 1,-0.1 -3,-0.1 -0.313 67.2-119.2 -71.9 144.9 -5.0 16.9 45.7 161 19 B N > - 0 0 74 1,-0.1 4,-1.3 -2,-0.1 2,-0.4 -0.679 27.0-163.5 -81.7 87.7 -5.6 13.5 47.3 162 20 B V T 4 S+ 0 0 94 -2,-1.4 -1,-0.1 1,-0.2 48,-0.1 0.224 82.0 45.5 -62.7 17.5 -7.9 14.8 50.2 163 21 B D T 4 S+ 0 0 90 -2,-0.4 4,-0.3 47,-0.0 -1,-0.2 0.656 119.0 28.7-125.9 -47.2 -7.4 11.4 52.1 164 22 B E T 4 S+ 0 0 118 -3,-0.3 4,-0.2 2,-0.1 -2,-0.2 0.295 106.0 69.9-106.7 11.4 -3.7 10.4 52.0 165 23 B V S X S+ 0 0 0 -4,-1.3 4,-1.6 2,-0.2 3,-0.3 0.902 98.5 43.9 -92.2 -50.6 -1.9 13.8 51.8 166 24 B G H > S+ 0 0 2 -5,-0.3 4,-3.0 1,-0.2 5,-0.2 0.840 115.0 50.4 -63.5 -36.6 -2.5 15.3 55.2 167 25 B G H > S+ 0 0 6 -4,-0.3 4,-1.5 36,-0.2 -1,-0.2 0.716 111.2 49.0 -72.8 -22.9 -1.7 12.0 56.9 168 26 B E H > S+ 0 0 30 -3,-0.3 4,-1.5 2,-0.2 -2,-0.2 0.741 113.5 47.8 -84.4 -26.6 1.5 11.8 54.8 169 27 B A H X S+ 0 0 2 -4,-1.6 4,-1.1 2,-0.2 -2,-0.2 0.927 117.3 40.4 -76.8 -47.8 2.3 15.4 55.9 170 28 B L H X S+ 0 0 6 -4,-3.0 4,-1.5 2,-0.2 -2,-0.2 0.885 116.7 50.9 -69.1 -39.5 1.5 14.7 59.6 171 29 B G H X S+ 0 0 0 -4,-1.5 4,-1.3 1,-0.2 -1,-0.2 0.913 107.8 50.0 -66.0 -44.1 3.2 11.3 59.5 172 30 B R H X S+ 0 0 5 -4,-1.5 4,-2.7 2,-0.2 5,-0.3 0.773 104.5 60.3 -68.1 -24.4 6.5 12.5 57.9 173 31 B L H X S+ 0 0 13 -4,-1.1 4,-3.1 1,-0.2 7,-0.2 0.983 106.8 46.4 -63.4 -49.9 6.7 15.3 60.6 174 32 B L H < S+ 0 0 0 -4,-1.5 7,-0.2 1,-0.2 -2,-0.2 0.723 117.0 44.2 -64.6 -27.4 6.8 12.6 63.3 175 33 B V H < S+ 0 0 23 -4,-1.3 -1,-0.2 2,-0.1 -2,-0.2 0.877 119.9 37.2 -87.8 -40.4 9.4 10.5 61.4 176 34 B V H < S+ 0 0 12 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.850 129.8 32.4 -80.6 -35.1 11.7 13.3 60.3 177 35 B Y S >< S- 0 0 25 -4,-3.1 3,-1.9 -5,-0.3 -1,-0.3 -0.767 75.2-176.1-123.8 79.4 11.4 15.4 63.6 178 36 B P G > S+ 0 0 26 0, 0.0 3,-3.3 0, 0.0 4,-0.3 0.799 72.7 72.7 -45.0 -45.9 10.8 12.6 66.3 179 37 B W G > S+ 0 0 43 1,-0.3 3,-0.9 203,-0.2 204,-0.2 0.617 83.8 69.9 -47.3 -21.7 10.3 15.0 69.2 180 38 B T G X S+ 0 0 5 -3,-1.9 3,-1.3 1,-0.2 4,-0.3 0.612 80.3 75.1 -74.7 -14.9 6.9 15.8 67.7 181 39 B Q G X S+ 0 0 16 -3,-3.3 3,-1.2 1,-0.2 -1,-0.2 0.762 81.3 73.1 -67.7 -24.1 5.7 12.3 68.7 182 40 B R G < S+ 0 0 47 -3,-0.9 3,-0.3 -4,-0.3 -1,-0.2 0.613 93.6 50.5 -65.9 -18.8 5.6 13.7 72.2 183 41 B F G < S+ 0 0 62 -3,-1.3 -1,-0.3 1,-0.2 3,-0.2 0.549 109.8 54.5 -94.2 -12.6 2.4 15.7 71.4 184 42 B F X + 0 0 39 -3,-1.2 3,-0.6 -4,-0.3 4,-0.4 -0.442 59.3 123.6-121.3 56.3 0.8 12.6 70.0 185 43 B E G > S+ 0 0 138 -3,-0.3 3,-0.6 1,-0.2 -1,-0.1 0.785 71.2 67.2 -82.8 -25.9 1.0 10.0 72.8 186 44 B S G 3 S+ 0 0 87 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.185 93.6 64.1 -77.6 12.2 -2.8 9.7 72.6 187 45 B F G < S- 0 0 28 -3,-0.6 -1,-0.2 -6,-0.2 14,-0.2 0.742 93.7-143.1-106.4 -39.1 -2.2 8.1 69.1 188 46 B G < + 0 0 39 -3,-0.6 13,-0.2 -4,-0.4 -2,-0.1 0.737 55.1 31.4 76.1 130.5 -0.2 4.9 69.9 189 47 B D + 0 0 104 -4,-0.1 -4,-0.0 1,-0.1 3,-0.0 0.938 45.4 152.5 56.1 106.0 2.6 3.0 68.2 190 48 B L + 0 0 20 -16,-0.0 6,-0.1 7,-0.0 -1,-0.1 -0.146 29.8 124.1-147.1 34.4 5.1 5.1 66.4 191 49 B S S S+ 0 0 96 4,-0.1 3,-0.1 2,-0.0 -2,-0.0 0.660 76.4 25.3 -74.1 -24.5 8.2 2.9 66.7 192 50 B T S >> S- 0 0 73 1,-0.1 4,-1.9 -3,-0.0 3,-0.6 -0.946 82.0-116.3-137.7 153.2 9.0 2.5 63.0 193 51 B P H 3> S+ 0 0 34 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.912 118.0 56.8 -57.7 -37.6 8.1 4.9 60.0 194 52 B D H 3> S+ 0 0 129 1,-0.3 4,-1.7 2,-0.2 -3,-0.0 0.786 110.4 45.0 -61.4 -31.8 5.9 2.1 58.5 195 53 B A H <4 S+ 0 0 14 -3,-0.6 -1,-0.3 2,-0.2 -4,-0.1 0.793 111.0 52.6 -82.9 -34.0 4.0 2.1 61.8 196 54 B V H < S+ 0 0 2 -4,-1.9 3,-0.3 1,-0.1 -2,-0.2 0.893 118.7 35.5 -69.2 -43.7 3.8 6.0 62.0 197 55 B M H < S+ 0 0 37 -4,-2.8 2,-2.0 1,-0.2 6,-0.2 0.920 114.5 58.1 -75.0 -45.9 2.4 6.2 58.5 198 56 B G S < S+ 0 0 47 -4,-1.7 -1,-0.2 -5,-0.3 -4,-0.0 -0.501 82.0 112.9 -85.0 63.2 0.4 3.0 58.9 199 57 B N > - 0 0 12 -2,-2.0 4,-2.4 -3,-0.3 3,-0.3 -0.932 58.7-153.8-137.8 107.6 -1.4 4.5 62.0 200 58 B P H > S+ 0 0 105 0, 0.0 4,-1.0 0, 0.0 5,-0.1 0.678 95.7 55.2 -57.7 -22.9 -5.1 5.2 61.4 201 59 B K H > S+ 0 0 103 -14,-0.2 4,-2.5 2,-0.2 5,-0.2 0.895 109.3 45.1 -77.4 -42.7 -5.1 8.0 64.0 202 60 B V H > S+ 0 0 0 -3,-0.3 4,-2.8 1,-0.2 5,-0.2 0.955 114.0 51.0 -64.5 -45.9 -2.3 9.9 62.2 203 61 B K H < S+ 0 0 97 -4,-2.4 4,-0.4 1,-0.2 -36,-0.2 0.776 114.0 44.8 -61.1 -31.0 -4.2 9.3 58.9 204 62 B A H X S+ 0 0 57 -4,-1.0 4,-0.8 -5,-0.2 -1,-0.2 0.858 114.8 45.0 -81.8 -42.0 -7.4 10.6 60.5 205 63 B H H >X S+ 0 0 66 -4,-2.5 4,-1.4 1,-0.2 3,-0.7 0.887 106.6 60.3 -70.3 -40.8 -5.9 13.7 62.2 206 64 B G H 3X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.3 -1,-0.2 0.765 99.2 58.3 -59.0 -27.2 -3.8 14.6 59.2 207 65 B K H 3> S+ 0 0 96 -4,-0.4 4,-1.3 2,-0.2 -1,-0.3 0.869 105.8 48.0 -70.9 -35.8 -7.1 14.9 57.2 208 66 B K H + 0 0 81 1,-0.1 4,-0.6 -6,-0.1 -1,-0.2 -0.694 68.2 141.0-129.9 76.2 -7.3 37.2 56.6 223 81 B L H > S+ 0 0 1 -2,-0.3 4,-2.2 -3,-0.2 3,-0.3 0.825 71.2 67.4 -78.4 -36.5 -5.3 34.0 57.6 224 82 B K H 4 S+ 0 0 76 1,-0.2 -1,-0.2 2,-0.2 7,-0.1 0.670 106.6 37.6 -56.6 -27.6 -4.7 35.6 61.0 225 83 B G H 4 S+ 0 0 41 2,-0.2 4,-0.4 -3,-0.1 -1,-0.2 0.619 111.2 57.6-101.7 -21.0 -8.4 35.4 62.0 226 84 B T H < S+ 0 0 32 -4,-0.6 -2,-0.2 -3,-0.3 3,-0.2 0.829 118.4 34.2 -76.4 -34.4 -9.2 32.0 60.3 227 85 B F S X S+ 0 0 6 -4,-2.2 4,-1.7 1,-0.1 58,-0.2 0.178 89.8 102.0-105.9 14.8 -6.4 30.5 62.5 228 86 B A H > S+ 0 0 25 2,-0.2 4,-2.4 1,-0.2 -1,-0.1 0.923 88.4 39.8 -64.9 -45.0 -7.0 32.7 65.5 229 87 B T H > S+ 0 0 92 -4,-0.4 4,-1.3 2,-0.2 -1,-0.2 0.793 116.9 51.2 -73.8 -28.6 -8.9 30.0 67.5 230 88 B L H > S+ 0 0 54 2,-0.2 4,-2.0 -4,-0.2 -2,-0.2 0.773 109.3 51.1 -76.6 -29.2 -6.4 27.4 66.1 231 89 B S H X>S+ 0 0 0 -4,-1.7 4,-3.0 2,-0.2 5,-0.5 0.936 107.3 52.7 -72.3 -45.4 -3.6 29.7 67.4 232 90 B E H X>S+ 0 0 93 -4,-2.4 4,-0.9 1,-0.2 5,-0.5 0.840 111.3 49.1 -57.0 -36.4 -5.3 29.8 70.8 233 91 B L H X>S+ 0 0 82 -4,-1.3 5,-2.0 3,-0.2 4,-0.6 0.950 118.4 34.3 -69.8 -52.5 -5.3 26.0 70.8 234 92 B H H <5S+ 0 0 44 -4,-2.0 6,-2.5 3,-0.2 -2,-0.2 0.824 129.4 32.9 -76.5 -31.1 -1.7 25.3 69.8 235 93 B C H <5S+ 0 0 0 -4,-3.0 -3,-0.2 4,-0.2 -2,-0.1 0.911 125.4 32.6 -92.6 -52.3 -0.1 28.3 71.6 236 94 B D H < - 0 0 36 -2,-0.4 3,-1.7 1,-0.1 4,-0.2 -0.447 26.5-133.5 -60.9 126.0 7.1 25.5 69.8 242 100 B P T >> S+ 0 0 39 0, 0.0 3,-1.2 0, 0.0 4,-0.7 0.584 98.3 75.0 -61.6 -13.9 6.3 27.6 66.6 243 101 B E H >> S+ 0 0 72 1,-0.3 4,-1.9 2,-0.2 3,-0.6 0.816 89.0 61.4 -69.8 -25.3 9.4 26.3 64.7 244 102 B N H <> S+ 0 0 9 -3,-1.7 4,-1.3 1,-0.3 -1,-0.3 0.602 96.1 58.7 -76.3 -12.0 7.4 23.1 64.3 245 103 B F H <> S+ 0 0 24 -3,-1.2 4,-1.3 2,-0.2 -1,-0.3 0.727 105.7 49.2 -84.5 -27.2 4.7 25.1 62.4 246 104 B R H X S+ 0 0 23 -4,-1.3 4,-1.5 2,-0.2 3,-0.7 0.923 113.0 48.1 -72.3 -45.4 4.9 20.9 59.2 249 107 B G H 3X S+ 0 0 2 -4,-1.3 4,-1.3 1,-0.2 -2,-0.2 0.852 111.4 50.2 -61.5 -36.3 4.2 23.4 56.4 250 108 B N H 3< S+ 0 0 40 -4,-1.7 4,-0.3 1,-0.2 -1,-0.2 0.599 109.2 52.4 -77.9 -14.1 7.6 22.6 54.8 251 109 B V H S+ 0 0 1 -4,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.743 109.2 50.7 -81.8 -27.4 7.6 17.9 50.3 255 113 B V H X S+ 0 0 0 -4,-1.1 4,-1.8 2,-0.2 -2,-0.2 0.829 109.7 49.0 -78.3 -33.7 4.5 15.7 50.1 256 114 B L H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 5,-0.3 0.789 111.4 51.4 -75.5 -26.5 3.0 17.7 47.2 257 115 B A H X S+ 0 0 0 -4,-0.7 4,-1.3 2,-0.2 -2,-0.2 0.844 110.5 48.9 -75.2 -34.6 6.5 17.4 45.6 258 116 B H H < S+ 0 0 37 -4,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.839 118.2 39.9 -72.9 -35.2 6.2 13.6 46.1 259 117 B H H < S+ 0 0 71 -4,-1.8 -2,-0.2 1,-0.1 -3,-0.2 0.793 123.4 33.5 -86.7 -33.9 2.7 13.5 44.7 260 118 B F H >< S+ 0 0 31 -4,-2.2 3,-1.8 1,-0.2 2,-0.3 0.710 76.9 179.8 -99.3 -23.7 2.9 15.9 41.7 261 119 B G G >< S+ 0 0 12 -4,-1.3 3,-1.1 -5,-0.3 -1,-0.2 -0.450 75.4 9.4 65.6-117.9 6.4 15.5 40.5 262 120 B K G 3 S+ 0 0 166 -2,-0.3 -1,-0.3 1,-0.3 -150,-0.1 0.797 125.0 67.3 -64.9 -28.0 7.2 17.6 37.4 263 121 B E G < S+ 0 0 90 -3,-1.8 2,-1.6 1,-0.2 -1,-0.3 0.751 84.2 73.0 -67.2 -24.1 3.8 19.3 38.0 264 122 B F S < S- 0 0 0 -3,-1.1 -1,-0.2 -7,-0.2 -3,-0.1 -0.531 80.5-179.3 -90.5 69.5 5.1 20.8 41.3 265 123 B T >> - 0 0 47 -2,-1.6 4,-2.2 1,-0.1 3,-1.0 -0.168 42.2 -96.7 -70.6 157.9 7.3 23.3 39.4 266 124 B P H 3> S+ 0 0 13 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.775 124.3 45.4 -46.7 -37.8 9.6 25.9 41.1 267 125 B P H 3> S+ 0 0 59 0, 0.0 4,-0.7 0, 0.0 -115,-0.1 0.726 110.0 54.3 -81.8 -17.6 7.1 28.8 40.8 268 126 B V H <> S+ 0 0 17 -3,-1.0 4,-1.4 2,-0.2 3,-0.4 0.899 110.7 46.8 -74.8 -38.8 4.2 26.6 42.1 269 127 B Q H >X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 3,-0.6 0.939 108.9 55.2 -65.2 -45.1 6.4 25.8 45.1 270 128 B A H 3< S+ 0 0 2 -4,-1.7 4,-0.5 1,-0.3 -1,-0.2 0.703 108.6 48.2 -60.5 -23.5 7.2 29.5 45.5 271 129 B A H 3X S+ 0 0 0 -4,-0.7 4,-0.7 -3,-0.4 -1,-0.3 0.745 114.0 46.6 -87.3 -29.9 3.5 30.1 45.7 272 130 B Y H S+ 0 0 74 -4,-0.5 4,-1.1 -5,-0.3 -1,-0.2 0.820 112.9 45.6 -74.2 -35.8 4.1 31.8 50.7 275 133 B V H X S+ 0 0 2 -4,-0.7 4,-1.7 2,-0.2 -2,-0.2 0.930 113.0 46.3 -75.4 -46.8 1.0 30.0 51.8 276 134 B V H X S+ 0 0 5 -4,-2.8 4,-1.1 1,-0.2 -2,-0.2 0.837 113.5 49.5 -66.1 -33.6 2.6 27.6 54.4 277 135 B A H X S+ 0 0 38 -4,-1.3 4,-0.9 2,-0.2 -1,-0.2 0.846 111.5 49.8 -72.7 -35.0 4.6 30.4 56.0 278 136 B G H X S+ 0 0 10 -4,-1.1 4,-0.8 2,-0.2 -2,-0.2 0.785 110.0 49.3 -72.8 -31.8 1.5 32.5 56.2 279 137 B V H X S+ 0 0 9 -4,-1.7 4,-1.0 1,-0.2 -2,-0.2 0.772 112.7 49.5 -76.7 -25.7 -0.4 29.6 57.8 280 138 B A H < S+ 0 0 3 -4,-1.1 4,-0.3 2,-0.2 -2,-0.2 0.668 109.9 50.0 -84.6 -20.9 2.6 29.3 60.2 281 139 B N H < S+ 0 0 35 -4,-0.9 -2,-0.2 2,-0.2 -1,-0.2 0.632 114.7 45.2 -86.4 -22.6 2.5 33.1 60.9 282 140 B A H >< S+ 0 0 2 -4,-0.8 3,-0.5 2,-0.1 -2,-0.2 0.642 111.1 51.0 -92.3 -24.6 -1.2 32.8 61.7 283 141 B L T 3< S+ 0 0 19 -4,-1.0 -2,-0.2 1,-0.2 3,-0.2 0.549 114.1 45.9 -88.4 -14.8 -0.9 29.6 63.8 284 142 B A T > S+ 0 0 10 -4,-0.3 3,-0.6 1,-0.1 -1,-0.2 -0.176 81.4 109.9-117.7 34.6 1.8 31.4 65.9 285 143 B H G X + 0 0 60 -3,-0.5 3,-1.6 1,-0.2 -1,-0.1 0.837 68.4 60.4 -79.9 -35.0 -0.2 34.6 66.2 286 144 B K G 3 S+ 0 0 99 1,-0.3 -1,-0.2 2,-0.2 -4,-0.1 0.022 97.9 65.1 -83.3 28.7 -0.9 34.2 69.9 287 145 B Y G < 0 0 71 -3,-0.6 -1,-0.3 283,-0.0 -2,-0.2 0.324 360.0 360.0-125.1 -8.0 2.9 34.3 70.3 288 146 B H < 0 0 81 -3,-1.6 -2,-0.2 283,-0.0 -3,-0.1 0.131 360.0 360.0-143.3 360.0 3.4 37.9 69.1 289 !* 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 0.0 290 1 C V 0 0 54 0, 0.0 2,-0.2 0, 0.0 127,-0.1 0.000 360.0 360.0 360.0 129.1 32.3 21.0 64.5 291 2 C L - 0 0 18 1,-0.1 -151,-0.1 -151,-0.1 122,-0.0 -0.552 360.0-121.9 -93.8 139.3 34.6 22.7 67.0 292 3 C S > - 0 0 12 -153,-0.3 4,-2.0 -2,-0.2 5,-0.1 -0.350 28.9-116.5 -70.8 151.2 37.9 24.4 66.3 293 4 C P H > S+ 0 0 78 0, 0.0 4,-1.2 0, 0.0 5,-0.2 0.913 120.4 56.0 -59.4 -30.7 40.9 22.9 68.1 294 5 C A H > S+ 0 0 52 -153,-0.5 4,-2.2 1,-0.2 3,-0.2 0.857 105.0 51.7 -64.6 -38.2 41.1 26.3 69.9 295 6 C D H > S+ 0 0 20 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.943 104.2 55.6 -66.0 -46.3 37.5 25.9 71.0 296 7 C K H X S+ 0 0 53 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.773 113.2 42.4 -57.7 -30.0 38.1 22.5 72.5 297 8 C T H X S+ 0 0 82 -4,-1.2 4,-2.2 2,-0.2 -1,-0.2 0.854 111.3 54.9 -83.0 -40.7 40.9 24.0 74.6 298 9 C N H X S+ 0 0 45 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.884 109.9 46.8 -59.6 -41.8 38.8 27.1 75.5 299 10 C V H X S+ 0 0 1 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.890 111.9 51.3 -69.1 -39.8 36.0 25.0 76.8 300 11 C K H < S+ 0 0 91 -4,-1.0 4,-0.2 -5,-0.3 -2,-0.2 0.846 113.4 44.1 -66.2 -36.0 38.4 22.8 78.8 301 12 C A H < S+ 0 0 52 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.691 119.6 41.9 -82.5 -22.8 40.1 25.9 80.4 302 13 C A H >< S+ 0 0 3 -4,-1.3 3,-0.7 -5,-0.2 -2,-0.2 0.838 119.9 40.3 -91.1 -47.2 36.7 27.6 81.2 303 14 C W G >< S+ 0 0 26 -4,-2.9 3,-0.7 1,-0.3 4,-0.4 0.633 109.9 65.6 -72.2 -15.3 34.8 24.6 82.4 304 15 C G G 3 S+ 0 0 52 -5,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 -0.197 96.8 54.3 -94.9 33.8 38.1 23.8 84.1 305 16 C K G < S+ 0 0 131 -3,-0.7 -1,-0.2 2,-0.1 -2,-0.2 0.164 86.8 81.2-142.7 -0.9 37.6 26.8 86.2 306 17 C V S X S- 0 0 5 -3,-0.7 3,-0.9 1,-0.2 -2,-0.1 0.864 72.1-179.9 -76.2 -42.2 34.1 25.8 87.5 307 18 C G G > - 0 0 57 -4,-0.4 3,-0.6 1,-0.2 -1,-0.2 -0.374 61.0 -24.3 73.9-150.6 35.5 23.5 90.2 308 19 C A G > S+ 0 0 100 1,-0.3 3,-0.6 2,-0.1 -1,-0.2 0.339 118.2 93.0 -77.7 6.7 33.3 21.5 92.5 309 20 C H G <> + 0 0 97 -3,-0.9 4,-2.8 1,-0.2 -1,-0.3 0.202 51.1 107.5 -85.4 14.3 30.7 24.2 91.8 310 21 C A H <> S+ 0 0 8 -3,-0.6 4,-2.9 1,-0.2 5,-0.2 0.934 79.8 44.6 -57.1 -50.9 29.4 22.0 89.0 311 22 C G H <> S+ 0 0 14 -3,-0.6 4,-0.9 1,-0.2 -1,-0.2 0.791 113.3 51.8 -67.1 -29.0 26.2 21.2 90.9 312 23 C E H > S+ 0 0 93 -4,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.932 115.4 39.8 -72.8 -48.7 25.8 24.9 91.9 313 24 C Y H X S+ 0 0 15 -4,-2.8 4,-3.1 2,-0.2 5,-0.2 0.965 115.0 51.4 -65.3 -51.4 26.1 26.2 88.4 314 25 C G H X S+ 0 0 0 -4,-2.9 4,-2.0 34,-0.3 -1,-0.2 0.783 111.3 50.4 -57.6 -28.8 24.1 23.4 86.8 315 26 C A H X S+ 0 0 3 -4,-0.9 4,-3.2 -5,-0.2 -1,-0.2 0.938 111.0 47.1 -74.1 -45.4 21.4 24.1 89.5 316 27 C E H X S+ 0 0 24 -4,-2.2 4,-3.6 2,-0.2 -2,-0.2 0.890 113.5 48.3 -62.9 -42.6 21.4 27.8 88.6 317 28 C A H X S+ 0 0 0 -4,-3.1 4,-2.3 2,-0.2 -1,-0.2 0.957 114.0 46.7 -62.2 -48.6 21.2 27.1 84.9 318 29 C L H X S+ 0 0 2 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.917 116.4 45.5 -59.3 -43.7 18.4 24.6 85.5 319 30 C E H X S+ 0 0 28 -4,-3.2 4,-2.0 1,-0.2 -2,-0.2 0.920 111.2 51.0 -67.0 -47.9 16.6 27.2 87.8 320 31 C R H X S+ 0 0 2 -4,-3.6 4,-2.9 1,-0.2 5,-0.3 0.858 110.8 51.4 -58.5 -35.9 17.1 30.1 85.4 321 32 C M H X S+ 0 0 8 -4,-2.3 4,-2.6 2,-0.2 7,-0.3 0.912 110.5 44.7 -69.7 -45.9 15.6 27.9 82.6 322 33 C F H < S+ 0 0 7 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.800 118.5 47.2 -68.1 -29.3 12.4 26.9 84.5 323 34 C L H < S+ 0 0 67 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.951 120.6 33.1 -76.5 -52.7 12.1 30.5 85.6 324 35 C S H < S+ 0 0 16 -4,-2.9 -3,-0.2 1,-0.3 -2,-0.2 0.863 130.5 32.7 -74.4 -38.8 12.6 32.3 82.2 325 36 C F >< - 0 0 26 -4,-2.6 3,-2.1 -5,-0.3 4,-0.3 -0.745 69.6-174.1-123.4 81.6 11.1 29.6 80.0 326 37 C P T 3 S+ 0 0 74 0, 0.0 3,-0.3 0, 0.0 4,-0.2 0.469 75.6 73.0 -54.5 -6.4 8.2 28.0 82.0 327 38 C T T > S+ 0 0 51 1,-0.2 3,-1.5 2,-0.2 4,-0.2 0.776 80.6 68.6 -82.6 -25.1 7.6 25.4 79.3 328 39 C T G X S+ 0 0 3 -3,-2.1 3,-1.0 -7,-0.3 4,-0.2 0.693 88.0 70.7 -66.8 -16.0 10.8 23.5 80.1 329 40 C K G > S+ 0 0 75 -3,-0.3 3,-2.2 -4,-0.3 -1,-0.3 0.822 82.1 69.8 -68.0 -34.1 8.9 22.6 83.4 330 41 C T G < S+ 0 0 86 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.525 92.2 60.3 -65.3 -6.3 6.5 20.3 81.4 331 42 C Y G < S+ 0 0 27 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.600 105.7 49.3 -93.2 -15.9 9.4 18.0 80.9 332 43 C F X + 0 0 38 -3,-2.2 3,-0.6 -4,-0.2 -1,-0.2 -0.685 57.4 141.3-122.5 71.6 9.8 17.5 84.6 333 44 C P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.768 75.8 60.5 -85.5 -16.8 6.3 16.7 86.1 334 45 C H T 3 S+ 0 0 127 -3,-0.2 2,-0.3 2,-0.1 -2,-0.0 -0.087 97.0 93.8 -94.2 31.6 7.9 14.3 88.5 335 46 C F S < S- 0 0 37 -3,-0.6 2,-1.0 -6,-0.1 -3,-0.1 -0.958 75.6-132.0-133.2 145.3 10.0 17.2 89.9 336 47 C D - 0 0 87 -2,-0.3 2,-0.5 1,-0.1 8,-0.4 -0.861 26.3-170.8 -92.0 99.0 9.8 19.7 92.7 337 48 C L + 0 0 56 -2,-1.0 2,-0.2 -5,-0.1 -1,-0.1 -0.298 41.1 121.9 -92.3 46.3 10.5 22.9 90.7 338 49 C S S S- 0 0 57 -2,-0.5 2,-0.2 1,-0.1 6,-0.2 -0.524 72.4 -86.4-100.4 168.1 10.9 25.1 93.8 339 50 C H S S+ 0 0 146 1,-0.2 2,-0.4 -2,-0.2 3,-0.1 -0.544 112.0 14.3 -78.4 142.7 13.9 27.2 94.8 340 51 C G S S+ 0 0 46 1,-0.2 -1,-0.2 -2,-0.2 5,-0.1 -0.110 85.2 158.8 86.8 -34.2 16.5 25.4 96.8 341 52 C S > - 0 0 14 -2,-0.4 4,-2.7 1,-0.2 3,-0.3 0.170 41.6-143.4 -29.8 114.1 15.0 22.0 96.0 342 53 C A T 4 S+ 0 0 88 1,-0.2 -1,-0.2 2,-0.2 -2,-0.0 0.462 100.8 59.6 -64.3 -3.5 17.6 19.2 96.5 343 54 C Q T > S+ 0 0 79 -7,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.868 110.3 37.4 -87.1 -54.1 16.1 17.5 93.5 344 55 C V H > S+ 0 0 2 -8,-0.4 4,-2.2 -3,-0.3 -2,-0.2 0.832 121.8 46.9 -65.8 -33.3 16.7 20.4 91.1 345 56 C K H < S+ 0 0 55 -4,-2.7 -1,-0.2 1,-0.2 -3,-0.2 0.709 115.0 47.8 -80.1 -21.3 20.1 21.0 92.9 346 57 C G H > S+ 0 0 22 -5,-0.3 4,-1.0 2,-0.2 -2,-0.2 0.649 110.8 50.4 -91.5 -21.4 20.6 17.2 92.6 347 58 C H H X S+ 0 0 41 -4,-1.4 4,-2.4 2,-0.2 5,-0.2 0.935 103.2 58.5 -79.7 -46.7 19.7 17.2 88.9 348 59 C G H X S+ 0 0 0 -4,-2.2 4,-1.4 1,-0.2 -34,-0.3 0.592 101.9 58.8 -57.6 -12.7 22.1 20.1 88.2 349 60 C K H > S+ 0 0 100 2,-0.2 4,-1.5 3,-0.1 -1,-0.2 0.968 109.2 39.6 -78.9 -58.1 24.8 17.8 89.5 350 61 C K H X S+ 0 0 125 -4,-1.0 4,-1.6 1,-0.2 -2,-0.2 0.825 119.1 50.0 -57.9 -41.0 24.1 14.9 87.0 351 62 C V H X S+ 0 0 29 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.922 113.9 41.0 -64.9 -54.1 23.6 17.5 84.2 352 63 C A H < S+ 0 0 0 -4,-1.4 4,-0.4 1,-0.2 -1,-0.2 0.670 118.1 50.2 -71.9 -17.2 26.8 19.6 84.8 353 64 C D H X S+ 0 0 62 -4,-1.5 4,-1.4 2,-0.2 -2,-0.2 0.741 106.1 54.0 -89.2 -27.5 28.6 16.3 85.4 354 65 C A H X S+ 0 0 24 -4,-1.6 4,-1.0 1,-0.2 -2,-0.2 0.808 109.1 51.2 -72.5 -30.1 27.2 14.9 82.1 355 66 C L H X S+ 0 0 15 -4,-1.4 4,-1.6 1,-0.2 -1,-0.2 0.764 104.1 59.1 -75.9 -26.6 28.6 18.0 80.6 356 67 C T H > S+ 0 0 61 -4,-0.4 4,-0.9 2,-0.2 -2,-0.2 0.855 106.4 43.3 -75.8 -35.8 32.0 17.2 82.2 357 68 C N H X S+ 0 0 59 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.830 110.8 58.4 -77.9 -25.4 32.6 13.8 80.6 358 69 C A H < S+ 0 0 0 -4,-1.0 -2,-0.2 1,-0.2 6,-0.2 0.910 106.5 47.0 -66.9 -40.8 31.4 15.3 77.3 359 70 C V H < S+ 0 0 8 -4,-1.6 3,-0.5 1,-0.2 -1,-0.2 0.752 109.7 58.4 -71.6 -25.6 34.2 18.0 77.6 360 71 C A H < S+ 0 0 54 -4,-0.9 2,-1.0 1,-0.3 3,-0.2 0.994 119.3 22.9 -66.5 -70.2 36.7 15.1 78.4 361 72 C H S < S+ 0 0 77 -4,-2.0 3,-0.4 1,-0.2 -1,-0.3 -0.844 78.7 155.0-103.0 83.2 36.2 12.9 75.3 362 73 C V > + 0 0 11 -2,-1.0 3,-2.4 -3,-0.5 2,-1.6 0.934 68.4 57.3 -70.4 -55.4 35.0 15.7 73.0 363 74 C D T 3 S+ 0 0 120 1,-0.3 -1,-0.2 -3,-0.2 -4,-0.1 -0.066 112.7 43.4 -73.5 36.9 36.1 14.0 69.8 364 75 C D T >> S+ 0 0 73 -2,-1.6 4,-2.0 -3,-0.4 3,-1.7 0.205 72.1 135.0-163.6 11.3 34.0 11.0 70.8 365 76 C M H <> + 0 0 13 -3,-2.4 4,-2.1 1,-0.3 -2,-0.1 0.701 69.4 53.3 -48.6 -21.4 30.7 12.7 72.0 366 77 C P H 34 S+ 0 0 38 0, 0.0 -1,-0.3 0, 0.0 7,-0.1 0.839 114.8 42.5 -85.7 -26.9 28.1 10.5 70.2 367 78 C N H X4 S+ 0 0 113 -3,-1.7 3,-0.9 2,-0.1 -2,-0.2 0.901 117.6 47.3 -78.9 -45.0 29.8 7.3 71.7 368 79 C A H 3< S+ 0 0 29 -4,-2.0 3,-0.4 1,-0.2 -3,-0.2 0.919 116.4 40.2 -61.2 -51.9 30.2 8.9 75.2 369 80 C L T 3X S+ 0 0 3 -4,-2.1 4,-2.5 1,-0.2 3,-0.5 0.167 77.7 121.2 -90.5 20.7 26.7 10.4 75.5 370 81 C S H <> S+ 0 0 49 -3,-0.9 4,-0.9 1,-0.3 -1,-0.2 0.696 76.2 47.7 -56.4 -27.2 24.9 7.3 74.0 371 82 C A H > S+ 0 0 79 -3,-0.4 4,-0.7 2,-0.2 -1,-0.3 0.817 112.7 48.3 -82.5 -35.8 22.8 6.7 77.2 372 83 C L H > S+ 0 0 44 -3,-0.5 4,-3.1 2,-0.2 5,-0.3 0.846 110.4 52.0 -72.2 -34.2 21.8 10.4 77.4 373 84 C S H X>S+ 0 0 0 -4,-2.5 5,-1.7 1,-0.2 4,-1.3 0.844 105.5 54.5 -71.1 -33.7 20.9 10.3 73.7 374 85 C D H <>S+ 0 0 62 -4,-0.9 5,-1.5 -5,-0.2 -1,-0.2 0.752 116.3 41.4 -70.9 -21.6 18.7 7.2 74.3 375 86 C L H <>S+ 0 0 73 -4,-0.7 5,-4.0 3,-0.2 6,-0.5 0.955 122.9 31.6 -87.6 -65.1 17.0 9.4 77.0 376 87 C H H <>S+ 0 0 41 -4,-3.1 6,-2.2 3,-0.2 5,-0.6 0.936 135.2 26.2 -62.3 -51.2 16.6 12.9 75.5 377 88 C A T <5S+ 0 0 6 -4,-1.3 4,-0.2 48,-0.7 -3,-0.2 0.983 132.3 30.6 -77.1 -63.4 16.2 11.7 71.8 378 89 C H T - 0 0 9 -2,-0.4 3,-1.9 -204,-0.2 4,-0.5 -0.551 24.7-130.5 -68.0 122.0 12.2 19.6 71.2 384 95 C P T 3> S+ 0 0 34 0, 0.0 4,-0.9 0, 0.0 -1,-0.1 0.510 100.1 77.7 -56.3 -10.2 15.8 21.0 70.6 385 96 C V H >> S+ 0 0 31 2,-0.2 4,-2.4 1,-0.2 3,-1.0 0.911 90.1 56.4 -67.2 -34.6 14.6 24.5 71.4 386 97 C N H <> S+ 0 0 17 -3,-1.9 4,-2.3 1,-0.3 -1,-0.2 0.803 104.6 53.4 -65.2 -27.7 14.7 23.5 75.0 387 98 C F H 3> S+ 0 0 23 -4,-0.5 4,-1.1 2,-0.2 -1,-0.3 0.719 107.2 48.4 -79.2 -23.8 18.3 22.7 74.3 388 99 C K H X S+ 0 0 15 -4,-1.9 4,-1.7 2,-0.2 3,-0.5 0.938 112.5 47.1 -63.6 -50.2 21.6 30.0 76.9 393 104 C C H 3X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.862 108.1 56.3 -60.1 -36.1 21.0 29.7 80.6 394 105 C L H 3X S+ 0 0 5 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.793 108.1 48.5 -66.8 -30.3 24.3 27.8 81.0 395 106 C L H - 0 0 63 -2,-1.1 4,-2.7 1,-0.1 5,-0.2 -0.477 59.2-106.9 -86.4 161.0 35.7 36.4 76.9 408 119 C P H > S+ 0 0 20 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.849 124.4 53.6 -58.7 -28.7 33.8 36.8 73.5 409 120 C A H > S+ 0 0 32 2,-0.2 4,-1.7 1,-0.2 -111,-0.1 0.868 111.3 42.6 -69.8 -42.5 36.1 34.1 72.2 410 121 C V H > S+ 0 0 10 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.850 110.3 57.3 -74.8 -34.4 35.3 31.7 75.0 411 122 C H H X S+ 0 0 1 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.952 109.6 46.1 -59.4 -49.1 31.5 32.6 74.7 412 123 C A H X S+ 0 0 13 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.901 113.7 48.4 -59.0 -44.0 31.6 31.6 71.0 413 124 C S H X S+ 0 0 1 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.878 113.6 46.4 -65.1 -41.1 33.5 28.4 71.9 414 125 C L H X S+ 0 0 5 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.840 110.5 52.5 -72.6 -35.1 31.1 27.5 74.7 415 126 C D H X S+ 0 0 33 -4,-2.6 4,-1.1 -5,-0.2 -2,-0.2 0.834 111.3 47.8 -70.1 -31.6 28.1 28.2 72.5 416 127 C K H X S+ 0 0 49 -4,-1.8 4,-2.4 -5,-0.2 -2,-0.2 0.886 112.4 49.2 -74.0 -39.4 29.5 25.9 69.8 417 128 C F H X S+ 0 0 6 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.938 112.7 45.3 -64.3 -52.4 30.2 23.1 72.4 418 129 C L H X S+ 0 0 12 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.821 113.4 51.7 -62.4 -31.2 26.7 23.2 74.0 419 130 C A H X S+ 0 0 46 -4,-1.1 4,-2.2 2,-0.2 -2,-0.2 0.922 110.5 48.0 -71.2 -41.9 25.2 23.3 70.5 420 131 C S H X S+ 0 0 27 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.929 114.0 46.6 -65.3 -41.7 27.3 20.3 69.6 421 132 C V H X S+ 0 0 9 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.869 110.6 53.5 -67.3 -36.9 26.2 18.5 72.8 422 133 C S H X S+ 0 0 16 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.890 108.2 50.5 -63.5 -39.1 22.6 19.5 72.1 423 134 C T H >X S+ 0 0 71 -4,-2.2 4,-1.7 2,-0.2 3,-0.7 0.967 110.1 49.0 -60.8 -56.6 22.8 18.0 68.6 424 135 C V H 3< S+ 0 0 8 -4,-2.1 3,-0.3 1,-0.3 -2,-0.2 0.882 113.4 46.6 -52.0 -46.7 24.2 14.7 70.0 425 136 C L H 3< S+ 0 0 17 -4,-2.2 -48,-0.7 1,-0.2 -1,-0.3 0.725 115.3 45.1 -73.3 -23.7 21.5 14.4 72.7 426 137 C T H << S+ 0 0 25 -4,-1.3 2,-0.4 -3,-0.7 -1,-0.2 0.620 100.3 85.9 -94.6 -13.7 18.6 15.3 70.3 427 138 C S < - 0 0 16 -4,-1.7 2,-1.0 -3,-0.3 -50,-0.2 -0.721 69.7-140.2 -96.8 136.3 19.8 12.9 67.5 428 139 C K + 0 0 50 -2,-0.4 -425,-0.3 -51,-0.1 -3,-0.1 -0.803 29.1 165.6 -93.3 96.2 19.0 9.2 67.1 429 140 C Y 0 0 22 -2,-1.0 -1,-0.1 -5,-0.2 -427,-0.1 -0.132 360.0 360.0-104.9 40.0 22.3 7.6 65.9 430 141 C R 0 0 121 -427,-0.1 -425,-0.4 -426,-0.1 -2,-0.1 -0.221 360.0 360.0 -50.5 360.0 21.3 4.0 66.6 431 !* 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 0.0 432 1 D V 0 0 41 0, 0.0 2,-0.8 0, 0.0 79,-0.1 0.000 360.0 360.0 360.0 154.2 5.2 42.9 77.0 433 2 D H + 0 0 157 77,-0.1 2,-0.3 130,-0.1 77,-0.1 -0.886 360.0 161.7-101.5 105.1 3.0 42.4 80.0 434 3 D L - 0 0 26 -2,-0.8 126,-0.0 1,-0.0 75,-0.0 -0.835 44.8 -89.1-117.9 158.9 5.1 41.5 83.0 435 4 D T >> - 0 0 68 -2,-0.3 4,-2.3 1,-0.1 3,-1.1 -0.428 37.7-116.1 -71.4 139.8 4.4 41.7 86.8 436 5 D P H 3> S+ 0 0 98 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.729 114.3 58.0 -45.2 -33.5 5.2 45.1 88.6 437 6 D V H 3> S+ 0 0 104 2,-0.2 4,-1.7 1,-0.2 5,-0.0 0.871 112.5 40.7 -68.2 -36.2 7.9 43.5 90.8 438 7 D E H <> S+ 0 0 26 -3,-1.1 4,-1.9 2,-0.2 -1,-0.2 0.845 112.4 55.4 -79.9 -33.7 9.7 42.4 87.6 439 8 D K H X S+ 0 0 81 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.859 112.8 42.7 -67.6 -33.7 8.9 45.7 85.9 440 9 D S H X S+ 0 0 80 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.877 111.1 56.2 -78.5 -37.1 10.6 47.5 88.9 441 10 D A H X S+ 0 0 33 -4,-1.7 4,-1.4 1,-0.2 -2,-0.2 0.812 107.8 47.2 -64.5 -34.8 13.5 45.0 89.0 442 11 D V H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.879 112.1 49.0 -75.3 -37.2 14.4 45.7 85.3 443 12 D T H X S+ 0 0 76 -4,-1.2 4,-1.4 2,-0.2 -2,-0.2 0.858 112.4 48.3 -70.8 -34.6 14.3 49.5 85.6 444 13 D A H X S+ 0 0 64 -4,-2.0 4,-0.8 2,-0.2 -1,-0.2 0.861 115.2 45.1 -71.7 -37.8 16.5 49.3 88.8 445 14 D L H < S+ 0 0 7 -4,-1.4 -2,-0.2 2,-0.2 -1,-0.2 0.834 113.9 48.9 -73.5 -39.0 19.0 47.0 87.0 446 15 D W H >< S+ 0 0 27 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.771 104.0 61.0 -73.8 -27.0 19.0 49.1 83.9 447 16 D G H 3< S+ 0 0 64 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.838 105.2 48.1 -68.5 -30.2 19.5 52.2 86.0 448 17 D K T 3< S+ 0 0 142 -4,-0.8 -1,-0.3 -3,-0.1 -2,-0.2 0.335 90.7 116.8 -90.7 4.4 22.8 50.7 87.1 449 18 D V S < S- 0 0 14 -3,-1.1 2,-1.1 1,-0.1 -3,-0.1 -0.350 74.9-114.3 -77.5 151.9 23.9 49.8 83.6 450 19 D N > - 0 0 81 1,-0.1 4,-0.8 -2,-0.1 2,-0.5 -0.780 26.2-157.6 -85.6 96.7 27.0 51.3 81.9 451 20 D V T 4 S+ 0 0 95 -2,-1.1 -1,-0.1 1,-0.2 48,-0.1 0.184 82.1 43.7 -67.3 23.8 25.3 53.3 79.0 452 21 D D T > S+ 0 0 81 -2,-0.5 4,-0.7 47,-0.0 -1,-0.2 0.635 116.7 29.8-127.5 -62.3 28.5 53.2 76.9 453 22 D E T 4 S+ 0 0 114 1,-0.2 -2,-0.1 2,-0.1 40,-0.0 0.110 106.2 69.9 -96.4 20.5 30.3 49.9 76.8 454 23 D V T X S+ 0 0 0 -4,-0.8 4,-2.3 2,-0.1 3,-0.2 0.824 100.6 44.0 -97.9 -47.4 27.3 47.5 77.2 455 24 D G H > S+ 0 0 1 -5,-0.3 4,-2.6 1,-0.3 5,-0.2 0.862 115.1 49.7 -64.5 -37.9 25.6 48.0 73.9 456 25 D G H X S+ 0 0 5 -4,-0.7 4,-0.7 2,-0.2 -1,-0.3 0.723 111.9 48.8 -72.4 -23.2 29.0 47.8 72.2 457 26 D E H > S+ 0 0 33 -3,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.807 112.1 49.5 -83.4 -32.3 29.6 44.6 74.1 458 27 D A H X S+ 0 0 2 -4,-2.3 4,-1.0 2,-0.2 -2,-0.2 0.933 116.9 38.9 -70.4 -47.4 26.2 43.3 73.0 459 28 D L H X S+ 0 0 6 -4,-2.6 4,-1.1 1,-0.2 -1,-0.2 0.741 115.5 57.2 -73.9 -24.0 26.7 44.1 69.3 460 29 D G H X S+ 0 0 0 -4,-0.7 4,-0.8 -5,-0.2 -2,-0.2 0.828 106.6 44.8 -76.4 -37.1 30.3 43.0 69.7 461 30 D R H X S+ 0 0 6 -4,-1.7 4,-2.2 2,-0.2 5,-0.4 0.688 104.7 65.2 -80.0 -19.5 29.6 39.5 70.9 462 31 D L H X S+ 0 0 13 -4,-1.0 4,-2.2 1,-0.2 7,-0.2 0.955 106.2 42.7 -65.3 -44.6 26.9 39.1 68.2 463 32 D L H < S+ 0 0 0 -4,-1.1 7,-0.2 1,-0.2 -1,-0.2 0.732 117.7 45.1 -73.7 -26.3 29.6 39.3 65.5 464 33 D V H < S+ 0 0 22 -4,-0.8 -1,-0.2 2,-0.1 -2,-0.2 0.828 121.0 36.3 -86.7 -38.1 32.1 37.0 67.3 465 34 D V H < S+ 0 0 12 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.2 0.858 129.3 34.5 -82.8 -37.9 29.6 34.3 68.4 466 35 D Y S >< S+ 0 0 22 -4,-2.2 3,-1.8 -5,-0.4 -1,-0.3 -0.746 72.6 178.7-119.1 79.9 27.5 34.5 65.2 467 36 D P G > S+ 0 0 27 0, 0.0 3,-1.7 0, 0.0 4,-0.3 0.694 71.3 73.3 -54.7 -27.3 30.2 35.3 62.5 468 37 D W G 3 S+ 0 0 47 1,-0.3 3,-0.3 2,-0.2 -374,-0.2 0.542 86.7 64.9 -65.5 -12.3 27.6 35.3 59.7 469 38 D T G X S+ 0 0 5 -3,-1.8 3,-1.2 -7,-0.2 4,-0.3 0.548 80.7 77.7 -87.4 -10.8 26.3 38.6 61.0 470 39 D Q G X S+ 0 0 17 -3,-1.7 3,-0.8 1,-0.3 -1,-0.2 0.698 80.8 73.0 -68.7 -21.4 29.6 40.4 60.1 471 40 D R G 3 S+ 0 0 50 -3,-0.3 3,-0.4 -4,-0.3 -1,-0.3 0.763 93.3 51.8 -64.0 -29.0 28.3 40.4 56.6 472 41 D F G < S+ 0 0 58 -3,-1.2 -1,-0.2 1,-0.2 3,-0.2 0.584 106.9 55.0 -85.2 -13.4 25.8 43.1 57.5 473 42 D F X + 0 0 36 -3,-0.8 3,-0.6 -4,-0.3 4,-0.4 -0.433 60.7 127.6-120.0 56.2 28.5 45.3 59.0 474 43 D E T 3 + 0 0 134 -3,-0.4 3,-0.5 1,-0.2 -1,-0.1 0.714 68.4 65.9 -80.7 -24.0 31.0 45.6 56.1 475 44 D S T 3 S+ 0 0 89 -3,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.155 93.9 67.2 -82.3 14.9 30.9 49.5 56.4 476 45 D F S < S- 0 0 28 -3,-0.6 14,-0.3 14,-0.0 -1,-0.2 0.735 91.3-144.0-106.6 -37.0 32.6 48.9 59.8 477 46 D G + 0 0 42 -3,-0.5 13,-0.2 -4,-0.4 -2,-0.1 0.749 55.4 31.1 75.5 131.8 36.1 47.5 58.9 478 47 D D + 0 0 112 -4,-0.1 3,-0.1 1,-0.1 -4,-0.0 0.983 45.8 156.4 51.9 97.6 38.5 45.0 60.5 479 48 D L + 0 0 22 1,-0.1 6,-0.1 7,-0.0 -1,-0.1 -0.240 32.0 122.2-135.2 36.7 36.7 42.1 62.3 480 49 D S S S+ 0 0 92 4,-0.1 -1,-0.1 1,-0.1 3,-0.0 0.854 74.2 27.3 -72.9 -40.6 39.5 39.5 62.1 481 50 D T S >> S- 0 0 69 1,-0.1 4,-1.7 -3,-0.1 3,-1.5 -0.892 78.6-120.7-122.9 150.7 40.0 38.8 65.8 482 51 D P H 3> S+ 0 0 34 0, 0.0 4,-2.3 0, 0.0 5,-0.4 0.884 119.6 59.1 -57.2 -29.7 37.4 39.1 68.8 483 52 D D H 3> S+ 0 0 130 1,-0.2 4,-0.6 2,-0.2 -3,-0.0 0.703 109.8 42.0 -68.0 -24.7 39.9 41.6 70.1 484 53 D A H <4 S+ 0 0 15 -3,-1.5 -1,-0.2 2,-0.2 -4,-0.1 0.663 110.9 54.8 -95.8 -24.9 39.5 43.6 66.9 485 54 D V H < S+ 0 0 2 -4,-1.7 3,-0.3 -6,-0.1 -2,-0.2 0.868 118.9 33.1 -75.6 -42.7 35.6 43.2 66.8 486 55 D M H < S+ 0 0 39 -4,-2.3 2,-1.9 1,-0.2 6,-0.2 0.879 115.6 60.2 -77.5 -43.7 35.1 44.6 70.3 487 56 D G S < S+ 0 0 49 -4,-0.6 -1,-0.2 -5,-0.4 3,-0.0 -0.514 82.6 108.1 -85.8 63.2 38.1 46.9 69.9 488 57 D N > - 0 0 13 -2,-1.9 4,-2.3 -3,-0.3 3,-0.3 -0.939 61.9-150.6-142.9 115.2 36.4 48.7 66.9 489 58 D P H > S+ 0 0 103 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.756 97.7 56.8 -58.9 -27.7 35.1 52.2 67.5 490 59 D K H > S+ 0 0 101 -14,-0.3 4,-2.3 2,-0.2 5,-0.2 0.902 109.2 44.3 -71.4 -42.2 32.4 51.7 64.8 491 60 D V H > S+ 0 0 0 -3,-0.3 4,-2.2 2,-0.2 5,-0.2 0.958 114.8 50.4 -65.4 -49.8 31.0 48.6 66.7 492 61 D K H X S+ 0 0 92 -4,-2.3 4,-0.7 -6,-0.2 -2,-0.2 0.853 114.8 42.4 -55.6 -44.9 31.3 50.5 70.0 493 62 D A H X S+ 0 0 59 -4,-2.1 4,-0.7 2,-0.2 3,-0.4 0.879 114.4 49.1 -73.5 -40.9 29.4 53.6 68.7 494 63 D H H X S+ 0 0 72 -4,-2.3 4,-1.2 1,-0.2 3,-0.4 0.808 105.3 59.6 -69.3 -31.4 26.7 51.7 66.8 495 64 D G H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.787 96.5 61.6 -66.7 -28.9 26.0 49.6 69.9 496 65 D K H X S+ 0 0 94 -4,-0.7 4,-1.1 -3,-0.4 -1,-0.2 0.838 105.4 46.2 -66.3 -34.1 25.2 52.7 71.9 497 66 D K H X S+ 0 0 171 -4,-0.7 4,-1.1 -3,-0.4 -1,-0.2 0.780 111.8 52.1 -79.1 -27.1 22.3 53.4 69.5 498 67 D V H X S+ 0 0 32 -4,-1.2 4,-1.4 2,-0.2 -2,-0.2 0.885 110.4 47.6 -72.9 -42.8 21.2 49.7 69.7 499 68 D L H X S+ 0 0 4 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.790 109.4 55.2 -68.2 -29.1 21.2 50.0 73.5 500 69 D G H X S+ 0 0 35 -4,-1.1 4,-1.9 2,-0.2 -1,-0.2 0.815 102.9 54.4 -72.6 -32.5 19.2 53.2 73.2 501 70 D A H X S+ 0 0 28 -4,-1.1 4,-1.3 1,-0.2 -2,-0.2 0.886 110.3 47.7 -68.6 -35.3 16.6 51.4 71.1 502 71 D F H X S+ 0 0 13 -4,-1.4 4,-1.5 2,-0.2 -2,-0.2 0.821 108.5 53.8 -73.6 -33.5 16.3 49.0 74.0 503 72 D S H X S+ 0 0 42 -4,-1.5 4,-0.7 2,-0.2 -2,-0.2 0.870 109.8 47.3 -68.5 -37.2 16.1 51.8 76.6 504 73 D D H X S+ 0 0 83 -4,-1.9 4,-1.0 1,-0.2 3,-0.3 0.830 109.6 56.6 -72.3 -29.5 13.2 53.3 74.6 505 74 D G H < S+ 0 0 0 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.808 102.3 52.5 -71.5 -32.9 11.8 49.8 74.5 506 75 D L H < S+ 0 0 15 -4,-1.5 3,-0.4 1,-0.2 -1,-0.2 0.688 107.1 54.9 -76.3 -18.4 11.8 49.5 78.3 507 76 D A H < S+ 0 0 68 -4,-0.7 2,-0.3 -3,-0.3 -2,-0.2 0.766 112.3 42.7 -83.1 -29.7 9.9 52.8 78.5 508 77 D H < + 0 0 79 -4,-1.0 -1,-0.2 1,-0.1 7,-0.2 -0.541 60.7 143.8-120.1 66.9 7.1 51.5 76.2 509 78 D L S S+ 0 0 13 -3,-0.4 3,-0.2 -2,-0.3 -1,-0.1 0.457 76.6 56.1 -82.4 -0.5 6.3 47.9 77.3 510 79 D D S S+ 0 0 123 1,-0.2 2,-0.5 -3,-0.1 -1,-0.2 0.832 122.4 24.1 -91.8 -46.0 2.6 48.5 76.5 511 80 D N + 0 0 84 1,-0.1 4,-0.4 -6,-0.1 -1,-0.2 -0.829 68.9 138.6-127.2 84.9 3.4 49.4 72.9 512 81 D L S > S+ 0 0 2 -2,-0.5 4,-2.2 -3,-0.2 3,-0.3 0.790 73.0 63.7 -89.2 -38.9 6.7 47.9 71.8 513 82 D K T 4 S+ 0 0 81 1,-0.2 7,-0.1 2,-0.2 -1,-0.1 0.667 108.4 40.6 -58.7 -23.3 5.2 47.0 68.4 514 83 D G T 4 S+ 0 0 39 -6,-0.1 3,-0.4 2,-0.1 4,-0.3 0.681 109.9 56.4-100.4 -24.9 4.7 50.7 67.6 515 84 D T T 4 S+ 0 0 32 -4,-0.4 3,-0.3 -3,-0.3 -2,-0.2 0.870 117.6 35.6 -73.1 -39.1 8.0 52.0 69.0 516 85 D F S X S+ 0 0 3 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.162 87.2 106.5-100.7 16.2 9.9 49.6 66.8 517 86 D A H > S+ 0 0 32 -3,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.849 87.8 38.6 -63.2 -37.4 7.5 50.0 63.8 518 87 D T H > S+ 0 0 92 -3,-0.3 4,-1.2 -4,-0.3 -1,-0.2 0.717 116.7 51.5 -83.7 -26.8 10.0 52.1 61.9 519 88 D L H > S+ 0 0 54 2,-0.2 4,-2.4 -4,-0.2 -2,-0.2 0.764 108.3 52.7 -78.0 -30.3 12.9 50.0 63.1 520 89 D S H X S+ 0 0 0 -4,-2.2 4,-3.6 2,-0.2 5,-0.4 0.983 107.3 51.4 -67.6 -52.7 11.0 46.9 61.9 521 90 D E H X>S+ 0 0 93 -4,-1.7 5,-0.9 1,-0.2 4,-0.8 0.828 112.2 48.8 -51.1 -39.2 10.6 48.5 58.5 522 91 D L H X>S+ 0 0 84 -4,-1.2 5,-1.7 3,-0.2 4,-0.5 0.949 119.6 33.4 -68.4 -53.2 14.4 49.2 58.4 523 92 D H H <5S+ 0 0 49 -4,-2.4 6,-2.3 3,-0.2 -2,-0.2 0.805 130.2 34.0 -76.4 -29.8 15.6 45.7 59.4 524 93 D C H <5S+ 0 0 0 -4,-3.6 4,-0.2 4,-0.2 -3,-0.2 0.946 127.2 27.4 -90.5 -59.8 12.8 43.8 57.7 525 94 D D H <5S+ 0 0 85 -4,-0.8 -3,-0.2 -5,-0.4 -4,-0.1 0.672 136.2 23.8 -81.9 -19.7 11.7 45.6 54.5 526 95 D K T < - 0 0 44 -2,-0.4 3,-1.6 1,-0.1 4,-0.3 -0.431 27.4-128.0 -61.7 125.7 16.7 37.0 59.1 531 100 D P T >> S+ 0 0 39 0, 0.0 4,-0.8 0, 0.0 3,-0.6 0.502 100.3 73.1 -54.8 -14.8 14.5 37.4 62.3 532 101 D E H >> S+ 0 0 77 1,-0.2 4,-2.2 2,-0.2 3,-0.9 0.889 89.8 62.8 -70.8 -32.2 16.4 34.6 64.3 533 102 D N H <> S+ 0 0 10 -3,-1.6 4,-1.6 1,-0.3 -1,-0.2 0.737 95.7 58.4 -62.7 -22.8 19.2 37.1 64.6 534 103 D F H <> S+ 0 0 24 -3,-0.6 4,-1.5 -4,-0.3 -1,-0.3 0.841 106.8 47.3 -75.2 -33.0 16.9 39.4 66.6 535 104 D R H X S+ 0 0 3 -4,-1.0 4,-2.4 -3,-0.4 3,-1.1 0.927 106.0 51.4 -78.3 -43.8 22.3 41.4 75.8 542 111 D V H 3X S+ 0 0 0 -4,-1.5 4,-1.6 1,-0.3 -2,-0.2 0.814 109.3 51.5 -59.6 -32.0 21.1 39.0 78.6 543 112 D C H 3< S+ 0 0 2 -4,-1.0 4,-0.4 2,-0.2 -1,-0.3 0.615 110.3 48.1 -79.3 -21.1 24.6 37.4 78.4 544 113 D V H <> S+ 0 0 0 -3,-1.1 4,-2.6 -4,-0.5 -2,-0.2 0.788 110.3 51.0 -87.1 -35.2 26.3 40.8 78.8 545 114 D L H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.887 109.2 50.8 -69.2 -37.3 24.1 41.8 81.7 546 115 D A H X S+ 0 0 0 -4,-1.6 4,-1.3 1,-0.2 -1,-0.2 0.838 111.9 49.3 -67.4 -31.0 24.9 38.6 83.5 547 116 D H H 4 S+ 0 0 32 -4,-0.4 -2,-0.2 2,-0.2 -1,-0.2 0.933 116.1 41.2 -72.2 -47.3 28.5 39.4 82.8 548 117 D H H < S+ 0 0 72 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.856 124.7 32.3 -70.9 -40.4 28.2 42.9 84.2 549 118 D F H >< S+ 0 0 25 -4,-2.9 3,-2.0 1,-0.2 -3,-0.2 0.641 78.7 178.4 -97.0 -18.0 26.0 42.4 87.2 550 119 D G G >< S+ 0 0 12 -4,-1.3 3,-1.9 -5,-0.3 -1,-0.2 -0.322 75.4 11.9 58.3-119.4 27.1 38.9 88.3 551 120 D K G 3 S+ 0 0 190 1,-0.3 -1,-0.3 -151,-0.2 -2,-0.1 0.779 123.6 67.3 -60.1 -28.8 25.2 37.8 91.4 552 121 D E G < S+ 0 0 90 -3,-2.0 2,-1.0 1,-0.2 -1,-0.3 0.546 84.0 73.5 -72.0 -12.9 22.9 40.8 90.9 553 122 D F S < S+ 0 0 0 -3,-1.9 -1,-0.2 -7,-0.2 -153,-0.1 -0.709 77.6 178.1-103.1 73.5 21.4 39.2 87.7 554 123 D T >> - 0 0 58 -2,-1.0 4,-1.5 1,-0.1 3,-1.0 -0.181 45.1 -95.7 -72.4 162.5 19.4 36.6 89.7 555 124 D P H 3> S+ 0 0 15 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.877 124.9 51.7 -52.6 -39.6 17.1 34.0 88.0 556 125 D P H 3> S+ 0 0 65 0, 0.0 4,-0.8 0, 0.0 -115,-0.1 0.731 107.9 52.6 -70.2 -19.2 14.0 36.2 88.5 557 126 D V H <> S+ 0 0 15 -3,-1.0 4,-2.0 2,-0.2 5,-0.1 0.781 108.3 50.7 -80.3 -32.2 15.7 39.3 86.9 558 127 D Q H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 5,-0.2 0.950 106.2 55.4 -68.2 -47.2 16.6 37.2 83.8 559 128 D A H X S+ 0 0 3 -4,-2.0 4,-0.9 1,-0.2 -2,-0.2 0.803 109.5 46.9 -56.6 -32.8 13.0 36.0 83.5 560 129 D A H X S+ 0 0 0 -4,-0.8 4,-1.2 2,-0.2 3,-0.5 0.934 113.6 47.3 -75.6 -45.9 11.9 39.6 83.4 561 130 D Y H X S+ 0 0 1 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.764 105.4 59.2 -66.2 -28.4 14.5 40.5 80.8 562 131 D Q H X S+ 0 0 13 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.838 104.5 51.4 -70.0 -30.1 13.7 37.5 78.7 563 132 D K H X S+ 0 0 76 -4,-0.9 4,-1.6 -3,-0.5 -2,-0.2 0.845 111.7 48.1 -72.7 -34.7 10.2 38.9 78.4 564 133 D V H X S+ 0 0 0 -4,-1.2 4,-1.3 2,-0.2 -2,-0.2 0.940 113.1 44.1 -72.2 -49.8 11.7 42.3 77.3 565 134 D V H X S+ 0 0 5 -4,-2.6 4,-1.0 2,-0.2 -1,-0.2 0.702 112.9 53.2 -70.1 -21.8 14.1 41.0 74.7 566 135 D A H X S+ 0 0 35 -4,-1.2 4,-1.4 2,-0.2 -1,-0.2 0.907 110.9 45.9 -76.9 -44.2 11.4 38.6 73.3 567 136 D G H X S+ 0 0 11 -4,-1.6 4,-1.0 2,-0.2 -2,-0.2 0.717 112.8 49.9 -69.8 -26.3 9.0 41.4 72.9 568 137 D V H X S+ 0 0 9 -4,-1.3 4,-1.5 2,-0.2 -1,-0.2 0.784 113.4 46.9 -80.4 -30.2 11.7 43.6 71.3 569 138 D A H < S+ 0 0 2 -4,-1.0 4,-0.3 2,-0.2 -2,-0.2 0.700 112.4 50.2 -81.8 -22.2 12.5 40.7 69.0 570 139 D N H < S+ 0 0 32 -4,-1.4 -2,-0.2 2,-0.2 -1,-0.2 0.748 114.6 44.1 -82.2 -30.7 8.7 40.3 68.3 571 140 D A H >< S+ 0 0 2 -4,-1.0 3,-0.8 1,-0.2 4,-0.2 0.746 111.5 52.2 -84.0 -30.4 8.4 44.1 67.5 572 141 D L T 3< S+ 0 0 19 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.576 113.2 45.9 -80.9 -14.1 11.6 44.2 65.4 573 142 D A T 3 S+ 0 0 9 -4,-0.3 3,-0.4 1,-0.1 -1,-0.2 -0.158 81.3 108.4-118.3 33.9 10.2 41.3 63.3 574 143 D H X + 0 0 64 -3,-0.8 3,-1.8 1,-0.2 2,-1.1 0.853 66.2 64.3 -80.2 -36.9 6.7 42.8 63.0 575 144 D K T 3 S+ 0 0 100 1,-0.3 -1,-0.2 -4,-0.2 -4,-0.0 -0.164 97.8 61.2 -82.1 41.5 7.0 43.6 59.3 576 145 D Y T 3 0 0 75 -2,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.321 360.0 360.0-138.7 -15.9 7.3 39.9 58.6 577 146 D H < 0 0 81 -3,-1.8 -2,-0.2 -4,-0.1 -3,-0.1 0.039 360.0 360.0-132.7 360.0 3.9 38.8 60.1