==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 21-APR-09 2WGL . COMPND 2 MOLECULE: UREASE ACCESSORY PROTEIN UREF; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR Y.H.FONG,Y.W.CHEN,K.B.WONG . 627 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28950.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 483 77.0 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 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 365 58.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 3.8 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 1 0 0 3 4 4 1 4 8 2 0 0 0 0 0 3 0 0 3 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 25 A N 0 0 153 0, 0.0 3,-0.3 0, 0.0 117,-0.1 0.000 360.0 360.0 360.0 -41.8 13.4 57.4 0.4 2 26 A N > + 0 0 42 1,-0.2 3,-1.8 115,-0.1 114,-0.0 -0.171 360.0 130.9 -97.0 34.3 14.6 55.5 3.5 3 27 A A T 3 S+ 0 0 97 1,-0.3 -1,-0.2 3,-0.1 0, 0.0 0.795 70.8 47.7 -59.2 -30.6 11.5 53.3 2.9 4 28 A H T 3 S+ 0 0 75 -3,-0.3 2,-0.4 2,-0.0 -1,-0.3 0.461 97.3 91.7 -89.4 -4.6 13.6 50.2 3.1 5 29 A V < - 0 0 18 -3,-1.8 2,-0.6 603,-0.1 -3,-0.1 -0.806 59.5-160.4 -99.0 132.4 15.2 51.4 6.3 6 30 A D >> - 0 0 30 -2,-0.4 4,-2.6 599,-0.1 3,-1.5 -0.927 7.7-158.4-115.9 109.8 13.8 50.6 9.7 7 31 A N H 3> S+ 0 0 45 -2,-0.6 4,-2.1 1,-0.3 5,-0.2 0.749 90.9 65.7 -58.3 -26.1 15.0 52.8 12.6 8 32 A E H 34 S+ 0 0 68 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.845 113.1 32.5 -66.2 -34.0 14.1 50.2 15.1 9 33 A F H <> S+ 0 0 0 -3,-1.5 4,-2.5 2,-0.2 3,-0.3 0.817 113.5 60.3 -88.4 -36.3 16.8 48.0 13.7 10 34 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.859 101.3 54.7 -61.6 -34.6 19.2 50.8 12.7 11 35 A I H X S+ 0 0 2 -4,-2.1 4,-0.7 -5,-0.2 -1,-0.2 0.859 110.5 46.6 -67.7 -33.2 19.4 52.0 16.3 12 36 A L H 4 S+ 0 0 19 -4,-0.5 4,-0.4 -3,-0.3 3,-0.3 0.921 111.9 51.7 -69.1 -45.2 20.5 48.5 17.3 13 37 A Q H >< S+ 0 0 1 -4,-2.5 3,-0.9 1,-0.2 6,-0.2 0.906 110.0 45.3 -60.6 -46.9 23.0 48.2 14.4 14 38 A V H 3< S+ 0 0 3 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.727 115.3 48.4 -74.8 -17.6 24.9 51.5 15.1 15 39 A N T 3< S+ 0 0 22 -4,-0.7 -1,-0.2 -3,-0.3 2,-0.2 0.381 84.8 116.7 -99.2 1.6 25.1 50.9 18.8 16 40 A D S X S- 0 0 31 -3,-0.9 3,-2.1 -4,-0.4 420,-0.0 -0.513 75.3-126.0 -71.3 136.1 26.4 47.3 18.3 17 41 A A T 3 S+ 0 0 83 1,-0.3 -1,-0.1 -2,-0.2 -4,-0.0 0.737 111.0 59.9 -53.6 -21.3 29.9 46.8 19.7 18 42 A V T 3 + 0 0 45 2,-0.1 -1,-0.3 -5,-0.1 -4,-0.1 0.626 68.0 120.9 -86.7 -15.9 30.7 45.5 16.2 19 43 A F S < S- 0 0 8 -3,-2.1 2,-1.4 -6,-0.2 579,-0.1 -0.370 74.6-119.2 -52.2 121.0 29.8 48.7 14.4 20 44 A P + 0 0 15 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.497 66.1 130.7 -82.3 81.2 33.3 49.4 12.8 21 45 A I - 0 0 5 -2,-1.4 85,-0.2 1,-0.5 86,-0.2 -0.008 66.6-108.3-122.3 31.6 34.6 52.7 14.0 22 46 A G - 0 0 40 84,-0.1 -1,-0.5 85,-0.0 81,-0.0 -0.241 66.5 -14.1 73.8-165.3 38.1 51.9 15.1 23 47 A S - 0 0 100 1,-0.1 2,-0.2 -3,-0.1 80,-0.0 -0.169 67.5-117.7 -75.3 163.1 39.4 51.6 18.7 24 48 A Y - 0 0 74 1,-0.1 -1,-0.1 140,-0.0 76,-0.1 -0.599 10.9-158.0-109.6 163.0 37.7 52.9 21.9 25 49 A T > + 0 0 19 -2,-0.2 3,-0.6 1,-0.1 75,-0.1 0.346 66.8 90.7-124.1 5.0 38.4 55.5 24.6 26 50 A H T 3 S+ 0 0 20 1,-0.2 3,-0.5 2,-0.1 4,-0.5 0.801 74.0 73.2 -74.7 -28.3 36.4 54.7 27.8 27 51 A S T 3> S+ 0 0 34 1,-0.2 4,-0.9 2,-0.1 -1,-0.2 0.117 73.1 102.6 -72.6 26.3 39.2 52.5 29.4 28 52 A F H <> S+ 0 0 88 -3,-0.6 4,-0.6 -2,-0.4 -1,-0.2 0.982 82.9 28.8 -80.4 -60.4 41.2 55.6 30.1 29 53 A G H >> S+ 0 0 32 -3,-0.5 4,-1.9 1,-0.2 3,-0.6 0.839 112.8 70.4 -67.8 -31.9 40.8 56.4 33.8 30 54 A L H 3> S+ 0 0 3 -4,-0.5 4,-1.9 1,-0.2 5,-0.2 0.897 91.1 51.9 -55.7 -54.9 40.3 52.8 34.7 31 55 A E H 3X S+ 0 0 101 -4,-0.9 4,-1.6 1,-0.2 -1,-0.2 0.796 110.3 52.6 -59.1 -27.3 43.8 51.4 34.1 32 56 A T H S+ 0 0 101 -4,-1.9 5,-2.4 1,-0.2 6,-1.7 0.757 109.2 55.1 -64.6 -24.3 42.8 53.3 39.1 34 58 A I H ><5S+ 0 0 30 -4,-1.9 3,-1.2 4,-0.2 -1,-0.2 0.902 108.2 46.6 -74.8 -42.3 43.8 49.6 38.8 35 59 A Q H 3<5S+ 0 0 156 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.868 110.1 54.4 -63.4 -36.4 47.5 50.4 39.2 36 60 A Q T 3<5S- 0 0 96 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.406 113.2-121.3 -77.6 2.7 46.6 52.6 42.2 37 61 A K T < 5S+ 0 0 62 -3,-1.2 3,-0.2 2,-0.2 -3,-0.2 0.717 82.9 119.2 59.3 24.7 44.8 49.6 43.7 38 62 A K S S- 0 0 18 1,-0.1 4,-2.2 294,-0.0 5,-0.2 -0.916 88.9 -86.4-156.9 179.4 37.1 44.1 42.7 42 66 A K H > S+ 0 0 64 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.925 120.8 50.2 -61.4 -48.4 33.4 44.2 41.8 43 67 A E H > S+ 0 0 86 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.905 114.1 43.1 -61.5 -44.8 32.4 46.6 44.6 44 68 A S H > S+ 0 0 11 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.862 111.5 55.0 -72.3 -35.1 35.1 49.2 43.8 45 69 A A H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.934 107.2 51.7 -60.7 -44.9 34.5 48.9 40.0 46 70 A L H X S+ 0 0 29 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.919 109.5 47.6 -57.6 -47.9 30.8 49.7 40.6 47 71 A E H X S+ 0 0 113 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.907 112.2 51.1 -63.8 -40.6 31.6 52.8 42.6 48 72 A Y H X S+ 0 0 29 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.945 111.0 48.6 -54.6 -50.5 34.0 53.9 39.9 49 73 A L H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.910 112.1 47.3 -62.0 -44.3 31.4 53.3 37.2 50 74 A K H X S+ 0 0 73 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.894 112.3 50.1 -63.5 -41.2 28.7 55.3 39.1 51 75 A A H < S+ 0 0 60 -4,-2.3 4,-0.4 -5,-0.2 -2,-0.2 0.946 114.2 44.4 -62.0 -48.4 31.1 58.2 39.8 52 76 A N H ><>S+ 0 0 40 -4,-2.6 5,-1.6 1,-0.2 3,-1.4 0.927 109.7 55.1 -61.9 -48.4 32.2 58.4 36.1 53 77 A L H 3<5S+ 0 0 2 -4,-2.7 5,-0.3 1,-0.3 -1,-0.2 0.855 113.0 42.4 -54.7 -37.7 28.6 58.1 34.7 54 78 A S T 3<5S+ 0 0 64 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.360 119.1 43.1 -98.7 4.5 27.4 61.0 36.8 55 79 A S T X>5S- 0 0 46 -3,-1.4 4,-2.7 -4,-0.4 3,-0.5 0.392 127.1 -4.6-108.6-108.4 30.5 63.2 36.2 56 80 A Q H 3>>S+ 0 0 99 153,-0.3 4,-1.7 1,-0.2 5,-1.2 0.785 129.9 57.2 -63.6 -29.4 32.2 63.7 32.8 57 81 A F H 34XS+ 0 0 5 -5,-1.6 5,-3.0 3,-0.2 -1,-0.2 0.879 116.4 35.4 -72.2 -34.5 30.0 61.1 31.0 58 82 A L H <4>S+ 0 0 6 -3,-0.5 5,-2.3 -6,-0.5 -2,-0.2 0.950 122.9 41.7 -76.6 -54.2 26.8 63.0 31.9 59 83 A Y H <5S+ 0 0 49 -4,-2.7 148,-2.5 3,-0.2 149,-0.3 0.627 131.5 21.8 -79.5 -15.5 28.0 66.5 31.7 60 84 A T T X5S+ 0 0 15 -4,-1.7 4,-2.1 -5,-0.3 -3,-0.2 0.715 131.4 27.5-106.8 -67.2 30.1 66.1 28.5 61 85 A E H ><>S+ 0 0 5 -4,-2.2 5,-2.8 1,-0.2 3,-0.6 0.881 106.8 55.9 -67.2 -35.9 20.1 71.9 17.4 72 96 A A H ><5S+ 0 0 9 -4,-1.8 3,-1.7 1,-0.3 -1,-0.2 0.879 100.8 58.4 -61.7 -36.9 19.9 69.5 14.5 73 97 A L H 3<5S+ 0 0 107 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.816 111.2 43.0 -63.2 -26.7 16.1 69.6 14.8 74 98 A Q T <<5S- 0 0 136 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.266 113.0-120.5-100.8 11.3 16.4 73.4 14.3 75 99 A Q T < 5 + 0 0 142 -3,-1.7 2,-1.3 1,-0.2 -3,-0.2 0.804 59.8 154.6 53.5 32.8 19.0 73.0 11.5 76 100 A D >< + 0 0 49 -5,-2.8 4,-1.4 1,-0.2 -1,-0.2 -0.660 11.6 163.3 -94.0 79.2 21.4 75.0 13.7 77 101 A L H > S+ 0 0 30 -2,-1.3 4,-2.7 1,-0.2 5,-0.2 0.839 71.5 63.7 -64.7 -32.6 24.8 73.8 12.5 78 102 A K H > S+ 0 0 180 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.935 103.6 45.2 -59.0 -48.0 26.5 76.8 14.2 79 103 A K H > S+ 0 0 79 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.878 111.0 54.9 -65.5 -35.8 25.5 75.7 17.7 80 104 A I H X S+ 0 0 0 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.958 109.6 45.6 -60.2 -51.6 26.6 72.1 16.9 81 105 A L H X S+ 0 0 48 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.856 111.8 53.7 -59.5 -35.2 30.1 73.3 15.8 82 106 A G H X S+ 0 0 31 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.866 106.9 50.1 -67.4 -37.7 30.2 75.5 18.9 83 107 A V H X S+ 0 0 9 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.924 111.0 50.3 -65.8 -41.2 29.4 72.5 21.2 84 108 A E H X S+ 0 0 4 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.819 108.8 52.2 -67.7 -29.5 32.1 70.6 19.5 85 109 A E H X S+ 0 0 117 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.922 108.9 49.7 -70.9 -42.3 34.6 73.4 20.0 86 110 A V H X S+ 0 0 62 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.923 112.8 47.1 -61.1 -44.5 33.8 73.6 23.8 87 111 A I H >< S+ 0 0 5 -4,-2.3 3,-0.5 2,-0.2 4,-0.4 0.926 110.1 52.1 -63.4 -46.0 34.3 69.8 24.1 88 112 A X H >< S+ 0 0 41 -4,-2.1 3,-1.3 1,-0.2 -1,-0.2 0.924 109.9 49.6 -56.5 -45.3 37.5 69.9 22.2 89 113 A L H 3< S+ 0 0 107 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.733 110.5 50.3 -67.2 -24.7 38.9 72.6 24.4 90 114 A S T << S+ 0 0 52 -4,-1.2 2,-0.5 -3,-0.5 -1,-0.3 0.369 94.0 95.4 -94.3 4.5 37.9 70.8 27.6 91 115 A T < - 0 0 15 -3,-1.3 6,-0.1 -4,-0.4 -4,-0.0 -0.859 62.0-145.2-107.3 127.8 39.6 67.5 26.5 92 116 A S + 0 0 92 -2,-0.5 2,-0.2 4,-0.1 -3,-0.0 -0.984 54.4 28.7-149.0 154.3 43.1 66.5 27.5 93 117 A P S >> S- 0 0 54 0, 0.0 4,-2.2 0, 0.0 3,-0.5 0.564 74.4-116.6 -82.3-169.7 45.6 65.1 26.9 94 118 A X H 3> S+ 0 0 115 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.723 112.6 61.8 -61.7 -23.0 46.2 65.3 23.1 95 119 A E H 3> S+ 0 0 107 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.916 108.2 41.2 -70.8 -42.8 46.0 61.5 22.9 96 120 A L H <> S+ 0 0 31 -3,-0.5 4,-3.0 2,-0.2 5,-0.3 0.892 115.0 51.8 -69.6 -42.3 42.4 61.4 24.1 97 121 A R H X S+ 0 0 101 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.969 112.8 46.1 -54.6 -53.3 41.6 64.5 22.0 98 122 A L H X S+ 0 0 83 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.885 114.5 46.6 -58.5 -45.5 43.0 62.7 19.0 99 123 A A H X S+ 0 0 33 -4,-2.3 4,-3.2 2,-0.2 -1,-0.2 0.933 111.2 50.2 -66.3 -48.5 41.3 59.4 19.7 100 124 A N H X S+ 0 0 33 -4,-3.0 4,-2.5 1,-0.2 35,-0.2 0.893 112.1 49.5 -54.4 -42.3 37.8 61.0 20.4 101 125 A Q H X S+ 0 0 60 -4,-2.3 4,-2.6 -5,-0.3 -1,-0.2 0.874 110.7 49.6 -64.8 -39.2 38.2 62.9 17.1 102 126 A K H X S+ 0 0 121 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.946 110.8 49.7 -64.0 -47.2 39.1 59.7 15.3 103 127 A L H X S+ 0 0 10 -4,-3.2 4,-2.3 2,-0.2 -2,-0.2 0.908 111.4 49.2 -58.2 -45.6 36.1 58.0 16.8 104 128 A G H X S+ 0 0 0 -4,-2.5 4,-1.9 29,-0.5 30,-0.2 0.958 112.5 47.0 -57.7 -52.9 33.8 60.8 15.8 105 129 A N H X S+ 0 0 61 -4,-2.6 4,-2.2 28,-0.4 -2,-0.2 0.852 111.5 51.6 -59.2 -37.5 35.2 60.8 12.2 106 130 A R H X S+ 0 0 104 -4,-2.6 4,-2.8 -85,-0.2 5,-0.2 0.888 105.3 55.0 -69.8 -40.2 34.9 57.0 12.0 107 131 A F H X S+ 0 0 0 -4,-2.3 4,-1.8 -5,-0.2 -2,-0.2 0.947 112.5 43.1 -55.2 -49.2 31.2 57.1 13.1 108 132 A I H X S+ 0 0 5 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.914 114.5 50.0 -62.2 -43.8 30.4 59.5 10.3 109 133 A K H X S+ 0 0 125 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.853 107.5 53.7 -67.8 -37.0 32.4 57.7 7.7 110 134 A T H X S+ 0 0 4 -4,-2.8 4,-0.7 2,-0.2 -1,-0.2 0.909 109.9 47.5 -63.5 -42.6 30.9 54.3 8.6 111 135 A L H >< S+ 0 0 1 -4,-1.8 3,-1.3 -5,-0.2 6,-0.2 0.950 112.4 50.5 -59.9 -47.1 27.4 55.8 8.1 112 136 A Q H 3< S+ 0 0 80 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.761 99.4 63.1 -66.9 -27.3 28.4 57.3 4.8 113 137 A A H 3< S+ 0 0 34 -4,-1.6 2,-1.7 1,-0.2 -1,-0.3 0.728 84.4 83.4 -71.2 -19.4 29.9 54.1 3.5 114 138 A X X< - 0 0 4 -3,-1.3 3,-2.3 -4,-0.7 -1,-0.2 -0.616 64.7-177.0 -82.1 82.1 26.4 52.7 3.6 115 139 A N T 3 S+ 0 0 121 -2,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.748 74.6 60.6 -56.2 -29.2 25.4 54.1 0.2 116 140 A E T 3 S+ 0 0 98 -3,-0.1 2,-0.5 2,-0.1 -1,-0.3 0.480 89.5 84.3 -82.7 -2.1 21.8 52.8 0.5 117 141 A L < - 0 0 13 -3,-2.3 2,-0.7 -6,-0.2 -115,-0.1 -0.898 68.9-153.3-100.9 123.1 21.2 54.8 3.7 118 142 A D - 0 0 71 -2,-0.5 3,-0.1 1,-0.1 -3,-0.1 -0.857 11.8-176.1 -99.2 114.1 20.2 58.5 3.0 119 143 A X > - 0 0 7 -2,-0.7 4,-0.5 1,-0.2 -1,-0.1 0.588 42.2-119.6 -85.1 -11.2 21.2 60.7 6.0 120 144 A G H > - 0 0 29 1,-0.1 4,-1.6 2,-0.1 -1,-0.2 -0.126 28.8 -75.1 93.3 166.7 19.6 63.8 4.5 121 145 A E H > S+ 0 0 182 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.869 125.4 54.9 -70.3 -36.8 21.0 67.2 3.5 122 146 A F H > S+ 0 0 29 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.949 109.0 46.3 -64.6 -46.1 21.5 68.5 7.0 123 147 A F H X S+ 0 0 0 -4,-0.5 4,-2.9 1,-0.2 -1,-0.2 0.915 111.6 51.9 -61.4 -42.9 23.6 65.6 8.2 124 148 A N H X S+ 0 0 58 -4,-1.6 4,-1.1 1,-0.2 -1,-0.2 0.814 109.1 50.3 -67.2 -28.8 25.7 65.7 5.1 125 149 A A H X S+ 0 0 38 -4,-1.7 4,-1.3 2,-0.2 3,-0.3 0.919 110.6 49.8 -70.8 -45.0 26.4 69.4 5.6 126 150 A Y H >X S+ 0 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-57.5 -23.3 48.9 59.6 73.3 237 51 B S H 3> S+ 0 0 45 -3,-0.3 4,-1.6 1,-0.2 3,-0.4 0.791 81.9 71.6 -61.7 -29.9 50.0 63.2 74.1 238 52 B F H <4 S+ 0 0 94 -3,-2.0 4,-0.3 1,-0.2 -1,-0.2 0.931 103.4 37.8 -48.7 -54.8 46.3 64.2 74.2 239 53 B G H > S+ 0 0 41 -3,-0.5 4,-0.6 -4,-0.4 -1,-0.2 0.601 112.1 59.4 -79.1 -13.8 45.6 62.4 77.4 240 54 B L H >X S+ 0 0 3 -4,-0.7 4,-1.3 -3,-0.4 3,-0.6 0.873 88.0 68.6 -81.2 -40.3 48.9 63.2 79.1 241 55 B E H 3X S+ 0 0 82 -4,-1.6 4,-1.8 1,-0.3 -1,-0.2 0.664 97.5 54.9 -63.5 -16.5 48.9 67.0 79.1 242 56 B T H 3> S+ 0 0 83 -4,-0.3 4,-2.7 2,-0.2 -1,-0.3 0.897 103.2 53.5 -79.1 -44.4 46.0 67.1 81.7 243 57 B Y H <<>S+ 0 0 110 -3,-0.6 5,-2.7 -4,-0.6 6,-1.8 0.772 113.4 46.2 -60.6 -27.7 47.8 64.9 84.2 244 58 B I H ><5S+ 0 0 29 -4,-1.3 3,-2.1 3,-0.2 -2,-0.2 0.951 112.4 46.0 -79.4 -55.6 50.7 67.3 84.0 245 59 B Q H 3<5S+ 0 0 149 -4,-1.8 -2,-0.2 1,-0.3 -3,-0.1 0.927 114.5 49.5 -51.4 -49.1 48.8 70.6 84.2 246 60 B Q T 3<5S- 0 0 152 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.1 0.168 118.1-113.9 -84.0 19.7 46.8 69.3 87.1 247 61 B K T < 5S+ 0 0 161 -3,-2.1 -3,-0.2 2,-0.2 -2,-0.1 0.667 80.6 121.0 67.4 23.5 50.0 68.2 88.9 248 62 B K S S- 0 0 67 134,-0.0 4,-1.8 1,-0.0 -1,-0.2 -0.822 88.1 -77.0-151.5-171.4 58.5 63.1 88.3 252 66 B K H > S+ 0 0 58 -2,-0.2 4,-2.3 2,-0.2 5,-0.2 0.879 123.7 50.1 -66.5 -40.8 59.9 59.7 87.1 253 67 B E H > S+ 0 0 106 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.911 114.3 42.7 -66.1 -44.9 58.0 57.7 89.8 254 68 B S H > S+ 0 0 26 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.788 113.1 54.2 -74.1 -26.3 54.6 59.3 89.1 255 69 B A H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.925 107.5 49.7 -71.6 -42.6 55.2 59.1 85.3 256 70 B L H X S+ 0 0 32 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.908 111.8 49.1 -61.0 -42.4 55.9 55.4 85.5 257 71 B E H X S+ 0 0 110 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.911 112.0 47.8 -64.4 -42.0 52.7 54.9 87.5 258 72 B Y H X S+ 0 0 24 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.891 112.4 49.7 -63.8 -41.2 50.7 56.9 85.1 259 73 B L H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.904 109.7 49.8 -66.8 -43.3 52.2 55.0 82.1 260 74 B K H X S+ 0 0 80 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.903 113.8 46.9 -59.8 -43.2 51.5 51.6 83.7 261 75 B A H X S+ 0 0 57 -4,-2.0 4,-0.7 -5,-0.2 -2,-0.2 0.939 113.8 47.3 -63.1 -47.6 47.9 52.6 84.3 262 76 B N H ><>S+ 0 0 38 -4,-2.7 5,-1.5 1,-0.2 3,-0.6 0.881 110.2 52.9 -63.1 -40.1 47.4 54.0 80.8 263 77 B L H 3<5S+ 0 0 2 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.844 112.9 43.6 -64.1 -35.8 48.9 50.9 79.2 264 78 B S H 3<5S+ 0 0 65 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.419 118.1 41.7 -97.1 0.8 46.6 48.6 81.0 265 79 B S T XX5S- 0 0 49 -4,-0.7 4,-2.8 -3,-0.6 3,-0.5 0.401 126.6 -3.7-108.2-109.4 43.4 50.6 80.6 266 80 B Q H 3>>S+ 0 0 98 1,-0.3 4,-1.7 2,-0.2 5,-1.1 0.835 131.3 55.1 -59.7 -37.0 42.3 52.4 77.4 267 81 B F H 34XS+ 0 0 1 -5,-1.5 5,-2.8 3,-0.2 6,-0.3 0.891 116.7 38.5 -63.8 -37.9 45.5 51.5 75.5 268 82 B L H <4>S+ 0 0 5 -3,-0.5 5,-1.9 -6,-0.4 -2,-0.2 0.975 120.5 41.2 -72.4 -58.7 45.0 47.8 76.2 269 83 B Y H <5S+ 0 0 50 -4,-2.8 148,-2.5 3,-0.1 149,-0.3 0.617 132.2 21.1 -76.2 -11.5 41.2 47.5 75.8 270 84 B T T X5S+ 0 0 18 -4,-1.7 4,-2.2 -5,-0.3 -3,-0.2 0.690 129.3 29.8-112.7 -65.6 41.0 49.8 72.7 271 85 B E H >S+ 0 0 9 -4,-2.3 5,-2.9 1,-0.2 -1,-0.2 0.842 107.8 55.4 -62.0 -34.4 39.6 39.0 61.1 282 96 B A H ><5S+ 0 0 7 -4,-1.7 3,-1.3 3,-0.2 -1,-0.2 0.866 102.2 55.9 -66.9 -36.2 42.0 39.7 58.2 283 97 B L H 3<5S+ 0 0 104 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.851 111.8 44.3 -62.8 -32.1 43.3 36.2 58.4 284 98 B Q T 3<5S- 0 0 143 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.377 112.6-125.3 -91.0 4.7 39.7 35.1 58.0 285 99 B Q T < 5 + 0 0 141 -3,-1.3 2,-0.8 1,-0.2 -3,-0.2 0.896 57.6 152.1 50.1 44.4 39.2 37.7 55.3 286 100 B D >< + 0 0 49 -5,-2.9 4,-1.4 1,-0.2 3,-0.5 -0.706 14.6 168.1-105.1 78.8 36.3 39.1 57.2 287 101 B L H > S+ 0 0 20 -2,-0.8 4,-2.6 1,-0.2 5,-0.3 0.865 74.2 63.2 -58.3 -34.7 36.2 42.8 56.1 288 102 B K H > S+ 0 0 159 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.896 102.7 46.7 -60.8 -42.6 32.7 43.1 57.8 289 103 B K H > S+ 0 0 90 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.855 111.5 53.4 -65.0 -37.1 34.1 42.4 61.3 290 104 B I H X S+ 0 0 0 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.961 109.4 46.0 -64.3 -51.1 37.0 44.8 60.7 291 105 B L H X S+ 0 0 51 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.857 111.8 55.0 -57.4 -35.2 34.7 47.7 59.7 292 106 B G H X S+ 0 0 25 -4,-1.7 4,-2.3 -5,-0.3 -1,-0.2 0.911 106.2 49.1 -66.4 -42.6 32.5 46.8 62.7 293 107 B V H X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.929 111.5 50.0 -60.3 -44.0 35.5 47.0 65.1 294 108 B E H X S+ 0 0 3 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.870 108.6 53.1 -66.4 -34.9 36.4 50.4 63.6 295 109 B E H X S+ 0 0 111 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.947 107.8 49.8 -62.0 -51.3 32.7 51.6 64.0 296 110 B V H X S+ 0 0 60 -4,-2.3 4,-0.6 1,-0.2 -2,-0.2 0.922 113.9 46.5 -52.7 -48.4 32.7 50.6 67.8 297 111 B I H >X S+ 0 0 6 -4,-2.2 3,-1.3 2,-0.2 4,-1.3 0.946 111.7 49.1 -61.1 -52.5 36.0 52.5 68.3 298 112 B X H >< S+ 0 0 50 -4,-2.7 3,-0.6 1,-0.3 -2,-0.2 0.913 112.7 49.5 -52.2 -45.0 34.8 55.6 66.4 299 113 B L H 3< S+ 0 0 121 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.571 114.4 44.9 -73.7 -11.0 31.6 55.7 68.4 300 114 B S H << S+ 0 0 71 -3,-1.3 2,-0.3 -4,-0.6 -1,-0.2 0.542 90.4 101.3-108.3 -11.0 33.4 55.3 71.7 301 115 B T << - 0 0 27 -4,-1.3 6,-0.1 -3,-0.6 -4,-0.0 -0.598 58.5-142.3 -86.3 132.9 36.2 57.9 71.2 302 116 B S + 0 0 89 -2,-0.3 2,-0.2 4,-0.1 -3,-0.0 -0.983 62.1 35.3-146.3 154.8 36.1 61.4 72.7 303 117 B P S > S- 0 0 65 0, 0.0 4,-1.6 0, 0.0 3,-0.4 0.600 74.9-126.3 -77.4-178.5 36.6 64.3 72.5 304 118 B X H > S+ 0 0 111 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.759 107.5 61.4 -68.4 -25.4 35.9 64.8 68.8 305 119 B E H > S+ 0 0 109 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.901 105.7 47.5 -64.0 -42.1 39.4 66.4 68.2 306 120 B L H > S+ 0 0 22 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.889 109.6 53.5 -66.5 -39.8 41.0 63.1 69.3 307 121 B R H X S+ 0 0 72 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.938 110.0 46.7 -60.0 -47.3 38.7 61.1 67.1 308 122 B L H X S+ 0 0 71 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.853 111.3 51.6 -65.5 -35.8 39.6 63.2 64.0 309 123 B A H X S+ 0 0 33 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.893 110.6 49.0 -65.9 -41.0 43.4 63.0 64.8 310 124 B N H X S+ 0 0 30 -4,-2.3 4,-2.1 1,-0.2 35,-0.2 0.919 110.5 50.8 -62.4 -43.3 43.1 59.2 65.1 311 125 B Q H X S+ 0 0 54 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.880 110.0 50.1 -61.5 -40.8 41.2 59.0 61.8 312 126 B K H X S+ 0 0 148 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.913 109.9 49.4 -68.3 -41.8 43.9 61.0 60.1 313 127 B L H X S+ 0 0 13 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.878 111.2 50.8 -62.6 -40.0 46.7 58.9 61.4 314 128 B G H X S+ 0 0 0 -4,-2.1 4,-1.9 29,-0.5 30,-0.2 0.925 112.0 46.2 -63.2 -46.4 44.9 55.8 60.3 315 129 B N H X S+ 0 0 60 -4,-2.3 4,-2.6 28,-0.3 -2,-0.2 0.878 112.5 50.8 -63.1 -40.8 44.4 57.2 56.8 316 130 B R H X S+ 0 0 115 -4,-2.5 4,-2.8 -85,-0.2 5,-0.2 0.878 106.7 54.1 -68.0 -38.9 48.0 58.3 56.5 317 131 B F H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.954 112.4 43.9 -57.1 -48.4 49.3 54.9 57.6 318 132 B I H X S+ 0 0 5 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.941 114.6 49.3 -63.2 -46.7 47.4 53.3 54.8 319 133 B K H X S+ 0 0 109 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.870 108.0 53.7 -61.0 -39.0 48.4 56.0 52.2 320 134 B T H X S+ 0 0 21 -4,-2.8 4,-0.7 1,-0.2 -1,-0.2 0.904 109.9 47.9 -66.8 -37.7 52.0 55.7 53.1 321 135 B L H >< S+ 0 0 1 -4,-1.9 3,-0.8 -5,-0.2 -2,-0.2 0.926 112.2 49.0 -63.5 -44.8 51.9 51.9 52.5 322 136 B Q H 3< S+ 0 0 42 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.799 100.3 64.6 -68.7 -29.1 50.2 52.3 49.2 323 137 B A H 3< S+ 0 0 77 -4,-1.9 2,-1.8 -5,-0.2 -1,-0.2 0.779 82.6 83.5 -65.9 -25.6 52.6 55.0 48.0 324 138 B X X< - 0 0 51 -3,-0.8 3,-2.1 -4,-0.7 -1,-0.2 -0.599 66.0-176.0 -76.9 85.8 55.3 52.3 48.1 325 139 B N T 3 S+ 0 0 139 -2,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.748 74.4 61.0 -61.6 -26.8 54.4 51.0 44.7 326 140 B E T 3 S+ 0 0 144 -3,-0.1 2,-0.6 2,-0.1 -1,-0.3 0.407 89.3 86.1 -83.0 3.1 56.9 48.1 44.8 327 141 B L < - 0 0 16 -3,-2.1 2,-0.8 -6,-0.2 -115,-0.1 -0.922 67.7-154.1-106.3 122.7 55.1 46.7 47.9 328 142 B D - 0 0 47 -2,-0.6 -116,-0.1 1,-0.1 3,-0.1 -0.831 12.7-178.7-100.6 107.4 52.2 44.4 47.1 329 143 B X - 0 0 8 -2,-0.8 4,-0.5 1,-0.2 -1,-0.1 0.610 42.4-121.5 -80.3 -13.6 49.7 44.4 50.0 330 144 B G > - 0 0 26 1,-0.1 4,-2.1 2,-0.1 -1,-0.2 -0.004 27.5 -72.8 91.4 161.9 47.4 41.9 48.4 331 145 B E H > S+ 0 0 84 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.864 124.9 54.6 -63.7 -40.2 43.7 42.0 47.4 332 146 B F H > S+ 0 0 32 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.944 111.4 44.6 -63.4 -46.7 42.2 41.8 50.9 333 147 B F H > S+ 0 0 0 -4,-0.5 4,-2.8 1,-0.2 -1,-0.2 0.906 110.6 56.0 -61.4 -40.9 44.2 44.8 52.1 334 148 B N H X S+ 0 0 11 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.924 109.8 45.9 -54.7 -45.8 43.3 46.6 48.9 335 149 B A H X S+ 0 0 15 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.902 110.9 52.2 -66.0 -43.8 39.6 46.1 49.6 336 150 B Y H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 3,-0.2 0.930 108.6 51.6 -53.7 -46.5 40.0 47.2 53.2 337 151 B A H < S+ 0 0 20 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.859 110.6 48.7 -62.6 -34.2 41.7 50.4 52.0 338 152 B Q H < S+ 0 0 58 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.820 119.9 35.2 -74.1 -32.3 38.8 51.1 49.6 339 153 B K H < S+ 0 0 94 -4,-1.8 -2,-0.2 -3,-0.2 -1,-0.2 0.685 84.0 111.6-100.3 -23.0 36.1 50.5 52.2 340 154 B T < + 0 0 18 -4,-2.4 -49,-0.0 -5,-0.2 -4,-0.0 -0.279 30.3 171.3 -61.7 135.9 37.4 51.8 55.5 341 155 B K S S+ 0 0 167 1,-0.1 -1,-0.2 -50,-0.1 -26,-0.1 0.669 78.3 29.2-111.8 -34.1 35.7 55.0 56.8 342 156 B D S S+ 0 0 33 -51,-0.1 -44,-0.2 -28,-0.0 -45,-0.1 -0.479 78.8 170.8-128.8 64.4 37.2 55.3 60.3 343 157 B P - 0 0 1 0, 0.0 -29,-0.5 0, 0.0 -28,-0.3 -0.351 11.9-164.7 -70.6 154.6 40.6 53.7 60.2 344 158 B T > - 0 0 18 -30,-0.2 4,-2.2 -31,-0.1 5,-0.3 -0.866 34.3-109.2-129.0 166.8 43.0 54.0 63.1 345 159 B H H > S+ 0 0 8 -2,-0.3 4,-2.1 -35,-0.2 5,-0.2 0.955 119.0 47.4 -59.9 -47.3 46.8 53.3 63.2 346 160 B A H > S+ 0 0 2 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.906 113.9 44.7 -62.6 -44.9 46.2 50.2 65.3 347 161 B T H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.909 115.6 45.3 -72.2 -40.5 43.4 48.7 63.2 348 162 B S H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.868 111.2 55.1 -69.3 -33.5 45.1 49.3 59.8 349 163 B Y H X S+ 0 0 0 -4,-2.1 4,-2.8 -5,-0.3 -2,-0.2 0.906 105.0 53.7 -63.2 -42.4 48.4 48.0 61.2 350 164 B G H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.912 110.8 45.1 -57.2 -45.2 46.6 44.8 62.2 351 165 B V H X S+ 0 0 0 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.928 113.2 51.4 -65.6 -45.8 45.3 44.3 58.7 352 166 B F H X S+ 0 0 0 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.920 110.6 48.2 -54.8 -46.0 48.8 45.1 57.2 353 167 B A H X>S+ 0 0 0 -4,-2.8 5,-2.4 1,-0.2 4,-0.5 0.924 113.9 44.6 -67.5 -43.9 50.6 42.6 59.5 354 168 B A H ><5S+ 0 0 10 -4,-2.1 3,-1.0 1,-0.2 -1,-0.2 0.900 109.4 58.1 -63.7 -38.7 48.2 39.7 58.8 355 169 B S H 3<5S+ 0 0 42 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.769 111.3 40.3 -66.3 -28.6 48.3 40.5 55.0 356 170 B L H 3<5S- 0 0 24 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.396 115.5-111.3-100.6 -1.4 52.1 40.2 54.8 357 171 B G T <<5 + 0 0 60 -3,-1.0 2,-0.4 -4,-0.5 -3,-0.2 0.761 58.1 159.9 78.0 26.6 52.3 37.1 57.1 358 172 B I < - 0 0 10 -5,-2.4 -1,-0.2 -6,-0.2 -2,-0.1 -0.671 49.3-104.0 -78.2 130.9 54.0 38.8 60.0 359 173 B E > - 0 0 116 -2,-0.4 4,-2.7 1,-0.1 5,-0.2 -0.292 24.4-128.1 -58.0 141.2 53.5 36.9 63.3 360 174 B L H > S+ 0 0 23 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.898 105.2 49.5 -57.5 -50.1 51.0 38.5 65.6 361 175 B K H > S+ 0 0 89 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.937 113.3 47.1 -58.6 -46.0 53.2 38.5 68.8 362 176 B K H > S+ 0 0 33 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.943 111.9 50.5 -61.1 -45.9 56.1 40.1 66.9 363 177 B A H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.918 112.6 47.9 -57.6 -45.0 53.7 42.7 65.3 364 178 B L H X S+ 0 0 1 -4,-2.9 4,-2.8 2,-0.2 -1,-0.2 0.864 109.2 52.0 -61.2 -41.7 52.3 43.5 68.8 365 179 B R H X S+ 0 0 111 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.914 112.3 45.2 -65.8 -43.8 55.8 43.9 70.4 366 180 B H H X S+ 0 0 46 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.887 115.5 46.5 -68.1 -41.1 57.0 46.3 67.8 367 181 B Y H X S+ 0 0 3 -4,-2.0 4,-2.5 -5,-0.3 5,-0.3 0.935 113.5 49.9 -63.7 -48.1 53.8 48.3 67.9 368 182 B L H X S+ 0 0 1 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.940 111.7 46.6 -57.5 -50.5 53.8 48.4 71.7 369 183 B Y H X S+ 0 0 115 -4,-2.6 4,-3.2 1,-0.2 5,-0.2 0.952 113.5 48.7 -58.3 -49.9 57.4 49.5 72.0 370 184 B A H X S+ 0 0 12 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.897 113.6 45.6 -59.2 -46.0 57.0 52.3 69.4 371 185 B Q H X S+ 0 0 2 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.922 116.0 46.8 -62.0 -44.9 53.8 53.6 70.9 372 186 B T H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.3 5,-0.2 0.869 107.0 56.0 -68.4 -39.5 55.3 53.5 74.4 373 187 B S H X S+ 0 0 32 -4,-3.2 4,-2.4 -5,-0.2 5,-0.2 0.942 109.0 49.7 -55.4 -46.0 58.6 55.1 73.3 374 188 B N H X S+ 0 0 37 -4,-1.9 4,-1.6 -5,-0.2 -2,-0.2 0.889 110.4 49.4 -58.9 -42.4 56.5 58.0 72.1 375 189 B X H X S+ 0 0 7 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.881 111.8 48.4 -63.2 -39.7 54.6 58.2 75.4 376 190 B V H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.904 109.5 50.9 -72.0 -41.6 57.8 58.2 77.4 377 191 B I H X S+ 0 0 42 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.842 107.2 55.8 -64.8 -31.9 59.4 60.9 75.3 378 192 B N H X S+ 0 0 24 -4,-1.6 4,-2.3 -5,-0.2 -1,-0.2 0.908 110.2 45.1 -63.0 -42.9 56.2 63.0 75.8 379 193 B C H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.908 111.3 53.1 -64.6 -45.8 56.7 62.7 79.5 380 194 B V H <>S+ 0 0 4 -4,-2.8 5,-2.5 1,-0.2 -2,-0.2 0.945 117.5 37.0 -55.1 -51.1 60.4 63.5 79.3 381 195 B K H <5S+ 0 0 156 -4,-2.5 -1,-0.2 3,-0.2 -2,-0.2 0.845 123.7 41.3 -68.5 -36.7 59.7 66.6 77.3 382 196 B S H <5S+ 0 0 38 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.834 124.4 27.1 -90.5 -35.5 56.5 67.7 79.2 383 197 B V T <5S- 0 0 28 -4,-2.8 -3,-0.1 -5,-0.2 -2,-0.1 0.952 112.6-122.4 -61.1 -54.1 57.1 67.0 82.9 384 198 B P T 5 + 0 0 98 0, 0.0 2,-0.3 0, 0.0 -3,-0.2 0.682 47.5 169.7 -94.5 169.1 60.0 67.5 82.2 385 199 B L < - 0 0 22 -5,-2.5 2,-0.1 -2,-0.1 -134,-0.0 -0.848 38.9 -95.5-125.4 165.4 62.3 64.6 83.1 386 200 B S > - 0 0 59 -2,-0.3 4,-1.5 1,-0.1 3,-0.3 -0.434 34.6-114.9 -72.5 156.8 66.0 63.9 82.2 387 201 B Q H > S+ 0 0 116 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.884 118.5 57.9 -57.8 -38.5 66.7 61.7 79.2 388 202 B N H > S+ 0 0 115 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.856 101.9 54.2 -62.4 -36.4 68.2 59.1 81.6 389 203 B D H > S+ 0 0 38 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.886 105.6 53.7 -64.4 -37.3 64.9 58.9 83.5 390 204 B G H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.920 109.7 47.4 -61.5 -43.3 63.1 58.1 80.2 391 205 B Q H X S+ 0 0 108 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.897 110.0 51.9 -67.4 -40.6 65.5 55.2 79.6 392 206 B K H X S+ 0 0 109 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.889 110.7 50.0 -58.8 -41.2 65.0 53.9 83.1 393 207 B I H X S+ 0 0 2 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.941 109.4 49.0 -64.7 -48.7 61.3 54.0 82.6 394 208 B L H < S+ 0 0 9 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.887 112.2 50.0 -59.0 -39.0 61.4 52.1 79.3 395 209 B L H >< S+ 0 0 113 -4,-2.1 3,-1.6 1,-0.2 4,-0.3 0.944 110.3 48.8 -64.8 -46.1 63.6 49.5 80.9 396 210 B S H 3< S+ 0 0 54 -4,-2.3 3,-0.4 1,-0.3 -1,-0.2 0.738 104.0 62.3 -68.8 -20.3 61.3 49.0 83.8 397 211 B L T 3X S+ 0 0 0 -4,-1.6 4,-2.7 1,-0.2 -1,-0.3 0.550 78.0 91.3 -79.7 -5.9 58.3 48.7 81.5 398 212 B Q H <> S+ 0 0 105 -3,-1.6 4,-1.6 -4,-0.3 -1,-0.2 0.883 87.4 44.4 -62.7 -40.8 59.7 45.6 79.8 399 213 B S H > S+ 0 0 81 -3,-0.4 4,-2.2 -4,-0.3 -1,-0.2 0.931 113.3 51.0 -68.7 -46.8 58.0 43.1 82.2 400 214 B P H > S+ 0 0 24 0, 0.0 4,-2.8 0, 0.0 -2,-0.2 0.895 105.0 59.3 -50.5 -41.9 54.7 45.1 82.0 401 215 B F H X S+ 0 0 21 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.932 107.2 45.5 -53.5 -49.3 55.1 44.9 78.1 402 216 B N H X S+ 0 0 101 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.903 112.4 49.9 -62.9 -42.2 55.1 41.1 78.3 403 217 B Q H X S+ 0 0 125 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.890 110.7 51.9 -60.7 -39.5 52.1 41.0 80.7 404 218 B L H X S+ 0 0 11 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.926 109.8 47.0 -64.4 -46.7 50.2 43.4 78.3 405 219 B I H X S+ 0 0 6 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.933 112.6 49.8 -60.9 -47.1 50.9 41.2 75.3 406 220 B E H X S+ 0 0 114 -4,-2.4 4,-0.5 1,-0.2 -2,-0.2 0.906 113.4 47.1 -56.5 -44.1 49.8 38.1 77.2 407 221 B K H >X S+ 0 0 79 -4,-2.4 3,-1.3 1,-0.2 4,-0.8 0.903 105.9 58.5 -66.5 -41.5 46.6 39.9 78.3 408 222 B T H >< S+ 0 0 0 -4,-2.8 3,-0.7 1,-0.3 -1,-0.2 0.853 101.9 55.1 -55.3 -37.5 45.9 41.1 74.8 409 223 B L H 3< S+ 0 0 61 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.686 105.4 53.3 -73.5 -16.2 45.8 37.6 73.5 410 224 B E H << S+ 0 0 118 -3,-1.3 -1,-0.2 -4,-0.5 -2,-0.2 0.615 96.0 84.5 -89.8 -15.8 43.1 36.7 76.1 411 225 B L << - 0 0 8 -4,-0.8 2,-0.2 -3,-0.7 -142,-0.0 -0.463 54.6-179.3 -90.8 160.3 40.7 39.5 75.2 412 226 B D >> - 0 0 73 -2,-0.1 3,-2.6 -136,-0.0 4,-0.5 -0.793 49.0 -65.3-142.6-172.4 38.1 39.5 72.5 413 227 B E G >4 S+ 0 0 84 1,-0.3 3,-0.8 -2,-0.2 -2,-0.0 0.739 122.7 64.4 -49.8 -29.8 35.4 41.7 70.9 414 228 B S G 34 S+ 0 0 85 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.646 103.8 47.4 -73.5 -14.0 33.3 41.7 74.0 415 229 B H G X4 S+ 0 0 57 -3,-2.6 3,-2.1 2,-0.0 -1,-0.2 0.478 81.2 128.2-101.4 -8.8 36.1 43.6 75.9 416 230 B L T << S- 0 0 16 -3,-0.8 -146,-0.2 -4,-0.5 -147,-0.1 -0.279 86.1 -6.8 -58.2 128.2 36.6 46.2 73.1 417 231 B C T 3 S+ 0 0 27 -148,-2.5 -1,-0.3 -151,-0.2 -147,-0.2 0.703 92.7 129.0 59.7 24.0 36.4 49.7 74.5 418 232 B T < 0 0 88 -3,-2.1 -2,-0.1 -149,-0.3 -1,-0.1 0.454 360.0 360.0 -88.1 1.3 35.4 48.5 78.0 419 233 B A 0 0 62 -4,-0.2 -154,-0.1 -154,-0.1 -4,-0.0 -0.694 360.0 360.0 -82.8 360.0 38.1 50.5 79.8 420 !* 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 0.0 421 25 C N 0 0 192 0, 0.0 3,-0.2 0, 0.0 117,-0.1 0.000 360.0 360.0 360.0-132.0 8.6 44.0 42.8 422 26 C N > + 0 0 43 1,-0.1 3,-1.9 3,-0.1 114,-0.0 -0.329 360.0 146.3-106.3 44.6 11.2 44.5 40.1 423 27 C A T 3 + 0 0 96 1,-0.3 -1,-0.1 3,-0.1 0, 0.0 0.804 69.9 44.0 -54.7 -37.7 11.0 48.2 41.0 424 28 C H T 3 S+ 0 0 62 -3,-0.2 2,-0.4 112,-0.2 -1,-0.3 0.508 98.5 94.1 -86.8 -5.3 14.7 48.9 40.3 425 29 C V < - 0 0 19 -3,-1.9 2,-0.6 -237,-0.1 -3,-0.1 -0.736 57.0-162.2 -94.7 133.7 14.6 46.8 37.0 426 30 C D >> - 0 0 30 -2,-0.4 4,-2.7 -241,-0.1 3,-1.5 -0.942 8.8-158.8-116.4 109.9 14.0 48.5 33.7 427 31 C N H 3> S+ 0 0 50 -2,-0.6 4,-2.4 1,-0.3 5,-0.2 0.796 93.0 64.7 -55.3 -30.6 12.9 46.0 30.9 428 32 C E H 3> S+ 0 0 75 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.832 112.5 33.3 -61.0 -35.3 14.1 48.6 28.4 429 33 C F H <> S+ 0 0 1 -3,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.823 114.9 57.1 -89.5 -34.7 17.6 48.1 29.6 430 34 C L H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.877 103.0 54.9 -65.9 -36.6 17.3 44.4 30.5 431 35 C I H X S+ 0 0 1 -4,-2.4 4,-0.9 -5,-0.2 -1,-0.2 0.894 110.7 45.8 -66.0 -36.9 16.3 43.5 27.0 432 36 C L H X S+ 0 0 15 -4,-0.6 4,-0.9 -5,-0.2 3,-0.3 0.931 112.8 52.1 -64.7 -43.7 19.4 45.2 25.7 433 37 C Q H >< S+ 0 0 1 -4,-2.5 3,-0.9 1,-0.2 6,-0.2 0.932 109.1 46.4 -62.0 -49.2 21.5 43.5 28.4 434 38 C V H 3< S+ 0 0 1 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.726 115.2 48.5 -68.3 -19.7 20.4 39.9 27.7 435 39 C N H 3< S+ 0 0 14 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.499 84.0 114.0 -98.9 -5.2 20.9 40.5 23.9 436 40 C D S X< S- 0 0 24 -3,-0.9 3,-1.8 -4,-0.9 -420,-0.0 -0.397 75.3-127.6 -59.7 138.4 24.4 42.0 24.2 437 41 C A T 3 S+ 0 0 89 1,-0.3 4,-0.2 -2,-0.1 -1,-0.1 0.708 110.8 65.8 -59.9 -16.4 27.0 39.7 22.7 438 42 C V T 3 + 0 0 37 -5,-0.1 -1,-0.3 2,-0.1 -4,-0.1 0.671 67.7 114.3 -82.2 -19.2 28.7 40.2 26.0 439 43 C F S < S- 0 0 6 -3,-1.8 2,-2.4 -6,-0.2 3,-0.4 -0.394 77.2-124.8 -54.9 119.6 25.9 38.3 27.8 440 44 C P S S+ 0 0 18 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.379 75.7 114.5 -81.6 69.1 27.9 35.2 29.0 441 45 C I S S- 0 0 3 -2,-2.4 85,-0.2 1,-0.4 86,-0.2 0.399 78.7-108.6-111.5 -1.6 25.9 32.4 27.6 442 46 C G - 0 0 53 -3,-0.4 -1,-0.4 84,-0.1 2,-0.2 -0.335 53.6 -34.8 97.0 177.5 28.6 31.1 25.1 443 47 C S - 0 0 107 -2,-0.1 80,-0.1 1,-0.1 -6,-0.0 -0.473 59.7-114.6 -80.1 138.7 28.9 31.3 21.3 444 48 C Y - 0 0 24 -2,-0.2 3,-0.3 1,-0.1 -1,-0.1 -0.252 19.8-134.7 -63.6 160.6 25.9 31.0 19.0 445 49 C T S > S+ 0 0 18 1,-0.2 3,-0.7 2,-0.1 4,-0.2 0.001 77.5 100.9-115.6 27.1 25.8 27.9 16.8 446 50 C H G > + 0 0 21 1,-0.2 3,-1.3 2,-0.1 -1,-0.2 0.763 69.1 77.8 -76.5 -25.1 24.8 29.4 13.4 447 51 C S G >> S+ 0 0 44 -3,-0.3 4,-0.9 1,-0.2 3,-0.9 0.662 78.2 75.7 -55.1 -19.0 28.5 29.1 12.5 448 52 C F G <4 S+ 0 0 87 -3,-0.7 4,-0.3 1,-0.2 -1,-0.2 0.872 94.7 43.5 -65.2 -41.3 27.9 25.4 12.0 449 53 C G G <4 S+ 0 0 43 -3,-1.3 -1,-0.2 -4,-0.2 4,-0.2 0.206 107.7 57.7 -95.4 16.6 26.1 25.5 8.6 450 54 C L T <> S+ 0 0 2 -3,-0.9 4,-1.8 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