==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 20-MAR-00 1EN4 . COMPND 2 MOLECULE: MANGANESE SUPEROXIDE DISMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.A.EDWARDS,M.M.WHITTAKER,E.N.BAKER,J.W.WHITTAKER, . 820 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34935.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 560 68.3 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 . 76 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 27 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 108 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 325 39.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.4 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 15 0 0 0 4 4 4 4 0 4 4 0 0 0 0 2 0 0 2 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 4 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 S 0 0 109 0, 0.0 2,-0.2 0, 0.0 34,-0.0 0.000 360.0 360.0 360.0 148.2 41.4 21.6 -8.9 2 2 A Y - 0 0 21 33,-0.3 2,-0.3 34,-0.0 37,-0.1 -0.532 360.0-163.1 -86.1 156.4 41.0 19.3 -5.9 3 3 A T - 0 0 108 -2,-0.2 29,-0.0 36,-0.0 0, 0.0 -0.959 32.2 -97.4-135.6 153.3 39.4 15.9 -6.0 4 4 A L - 0 0 39 -2,-0.3 2,-0.1 1,-0.1 28,-0.1 -0.566 45.6-125.7 -69.2 124.8 38.0 13.7 -3.3 5 5 A P - 0 0 41 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.440 22.3-116.7 -72.1 148.2 40.8 11.1 -2.6 6 6 A S - 0 0 109 -2,-0.1 0, 0.0 1,-0.1 0, 0.0 -0.530 32.4-107.9 -80.7 152.4 39.7 7.5 -2.9 7 7 A L - 0 0 26 -2,-0.2 -1,-0.1 2,-0.1 4,-0.1 -0.521 13.0-135.1 -78.8 148.3 39.9 5.4 0.3 8 8 A P S S+ 0 0 95 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.159 89.1 24.7 -88.6 22.4 42.6 2.8 0.6 9 9 A Y S S- 0 0 46 80,-0.0 -2,-0.1 5,-0.0 2,-0.1 -0.949 96.9 -76.7-166.7 173.3 40.1 0.3 2.0 10 10 A A > - 0 0 56 -2,-0.3 3,-2.1 1,-0.1 4,-0.2 -0.441 45.1-106.6 -82.1 160.5 36.3 -0.4 1.9 11 11 A Y T 3 S+ 0 0 63 1,-0.3 3,-0.3 2,-0.1 12,-0.2 0.724 120.9 46.9 -58.7 -22.6 33.8 1.6 4.0 12 12 A D T > S+ 0 0 88 1,-0.2 3,-1.4 2,-0.1 -1,-0.3 0.319 80.6 102.8-102.7 9.9 33.3 -1.3 6.4 13 13 A A T < S+ 0 0 39 -3,-2.1 77,-0.3 1,-0.3 -1,-0.2 0.608 79.3 52.4 -67.6 -14.2 37.1 -2.0 6.9 14 14 A L T >> S+ 0 0 2 -3,-0.3 3,-1.7 4,-0.2 4,-1.6 0.384 90.7 153.8-103.4 2.2 37.2 -0.3 10.3 15 15 A E T <4 + 0 0 70 -3,-1.4 4,-0.1 1,-0.3 75,-0.0 -0.368 52.0 30.5 -63.5 152.4 34.3 -2.3 11.8 16 16 A P T 34 S+ 0 0 84 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 -0.929 128.1 43.7 -90.6 17.1 33.5 -3.1 14.5 17 17 A H T <4 S+ 0 0 33 -3,-1.7 2,-0.5 1,-0.3 -2,-0.2 0.962 120.1 27.8 -85.0 -58.4 35.1 0.1 15.8 18 18 A F S < S- 0 0 11 -4,-1.6 -1,-0.3 169,-0.1 -4,-0.2 -0.930 93.7-116.2-106.1 128.9 34.1 2.9 13.3 19 19 A D > - 0 0 20 -2,-0.5 4,-2.2 -3,-0.1 3,-0.2 -0.348 7.9-132.9 -70.6 142.5 30.7 2.2 11.7 20 20 A K H > S+ 0 0 102 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.855 103.9 58.1 -57.3 -42.7 30.3 1.7 7.9 21 21 A Q H > S+ 0 0 104 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.917 109.5 43.5 -58.4 -46.0 27.4 4.1 7.7 22 22 A T H > S+ 0 0 6 2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.923 109.5 56.4 -66.6 -44.3 29.4 7.0 9.1 23 23 A M H X S+ 0 0 4 -4,-2.2 4,-1.9 -12,-0.2 5,-0.2 0.919 111.0 45.6 -53.4 -44.3 32.5 6.2 7.0 24 24 A E H X S+ 0 0 86 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.923 117.3 40.9 -67.1 -46.8 30.4 6.5 3.9 25 25 A I H X>S+ 0 0 21 -4,-2.1 4,-2.2 2,-0.2 5,-1.7 0.928 113.8 54.1 -67.3 -44.2 28.6 9.7 4.8 26 26 A H H <>S+ 0 0 3 -4,-3.4 5,-2.4 -5,-0.2 -2,-0.2 0.892 119.4 33.8 -56.5 -43.1 31.8 11.3 6.2 27 27 A H H <>S+ 0 0 8 -4,-1.9 5,-1.1 -5,-0.3 -2,-0.2 0.965 125.3 36.3 -79.2 -57.5 33.7 10.6 3.0 28 28 A T H <5S+ 0 0 48 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.653 131.8 24.1 -75.5 -18.0 31.1 11.0 0.2 29 29 A K T X5S+ 0 0 101 -4,-2.2 4,-1.8 -5,-0.3 -3,-0.2 0.781 128.7 32.3-110.5 -60.6 29.1 13.9 1.7 30 30 A H H >< S+ 0 0 9 -4,-1.7 3,-0.5 1,-0.2 -1,-0.2 0.836 111.8 51.9 -72.3 -32.6 36.3 29.6 -4.1 42 42 A L H >< S+ 0 0 6 -4,-2.0 3,-2.2 1,-0.2 7,-0.3 0.594 83.9 87.5 -80.6 -11.3 39.6 29.0 -6.0 43 43 A E T 3< S+ 0 0 152 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.1 0.896 94.9 42.8 -54.4 -41.0 38.0 29.4 -9.5 44 44 A S T < S+ 0 0 72 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.1 0.117 104.9 70.1 -93.5 21.7 38.7 33.1 -9.3 45 45 A L X> + 0 0 10 -3,-2.2 4,-2.4 1,-0.1 3,-2.3 -0.485 50.8 167.7-137.6 66.6 42.2 32.7 -7.9 46 46 A P H 3> S+ 0 0 90 0, 0.0 4,-0.6 0, 0.0 -1,-0.1 0.787 76.3 62.6 -47.6 -34.8 44.5 31.2 -10.6 47 47 A E H 34 S+ 0 0 124 1,-0.2 -5,-0.0 2,-0.1 -2,-0.0 0.694 118.5 24.1 -69.0 -20.8 47.6 32.0 -8.5 48 48 A F H X4 S+ 0 0 24 -3,-2.3 3,-1.9 -6,-0.2 -1,-0.2 0.588 98.7 89.4-117.4 -19.4 46.5 29.6 -5.7 49 49 A A H 3< S+ 0 0 20 -4,-2.4 -2,-0.1 -7,-0.3 -7,-0.1 0.728 92.0 44.7 -52.9 -28.6 44.2 27.2 -7.6 50 50 A N T 3< S+ 0 0 134 -4,-0.6 -1,-0.3 2,-0.1 -2,-0.1 0.255 84.9 109.5-105.6 13.9 47.0 24.8 -8.5 51 51 A L S < S- 0 0 37 -3,-1.9 -3,-0.0 1,-0.1 2,-0.0 -0.587 80.9 -99.4 -85.9 150.2 48.9 24.6 -5.2 52 52 A P >> - 0 0 71 0, 0.0 4,-2.3 0, 0.0 3,-1.3 -0.430 36.1-117.1 -63.5 147.4 48.8 21.3 -3.2 53 53 A V H 3> S+ 0 0 7 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.877 114.6 57.7 -55.1 -38.7 46.2 21.8 -0.4 54 54 A E H 34 S+ 0 0 97 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.769 110.3 44.6 -63.5 -25.7 48.9 21.3 2.3 55 55 A E H X4 S+ 0 0 74 -3,-1.3 3,-1.3 2,-0.1 4,-0.4 0.854 107.9 57.2 -84.9 -39.7 50.8 24.3 0.8 56 56 A L H >< S+ 0 0 0 -4,-2.3 3,-1.7 1,-0.3 -2,-0.2 0.898 101.7 56.1 -58.2 -42.1 47.7 26.5 0.3 57 57 A I T 3< S+ 0 0 1 -4,-2.0 3,-0.4 1,-0.3 -1,-0.3 0.582 100.2 58.6 -71.1 -8.3 46.9 26.3 4.0 58 58 A T T < S+ 0 0 75 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.497 108.1 48.9 -93.4 -4.4 50.3 27.6 5.0 59 59 A K X + 0 0 57 -3,-1.7 3,-1.8 -4,-0.4 4,-0.4 0.037 64.9 124.8-122.8 27.0 49.6 30.7 3.0 60 60 A L G > S+ 0 0 2 -3,-0.4 3,-1.3 1,-0.3 -1,-0.1 0.807 70.7 63.5 -56.7 -31.8 46.1 31.8 4.1 61 61 A D G 3 S+ 0 0 112 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.693 96.6 58.0 -67.7 -18.5 47.5 35.3 5.0 62 62 A Q G < S+ 0 0 128 -3,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.543 88.6 99.5 -87.6 -8.0 48.3 35.9 1.4 63 63 A L S < S- 0 0 11 -3,-1.3 5,-0.1 -4,-0.4 -18,-0.0 -0.420 89.0 -87.4 -80.6 153.7 44.7 35.4 0.3 64 64 A P >> - 0 0 47 0, 0.0 3,-2.7 0, 0.0 4,-1.7 -0.291 42.2-113.5 -57.2 142.3 42.2 38.1 -0.5 65 65 A A T 34 S+ 0 0 99 1,-0.3 4,-0.4 2,-0.2 -2,-0.1 0.784 116.5 52.7 -48.9 -32.8 40.4 39.2 2.7 66 66 A D T 34 S+ 0 0 130 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.477 112.2 43.5 -86.1 -2.1 37.1 37.8 1.3 67 67 A K T <> S+ 0 0 36 -3,-2.7 4,-2.2 2,-0.1 5,-0.3 0.618 89.9 85.2-112.5 -21.8 38.5 34.4 0.5 68 68 A K H X S+ 0 0 63 -4,-1.7 4,-2.3 1,-0.2 5,-0.2 0.877 92.5 43.2 -48.3 -51.6 40.6 33.7 3.6 69 69 A T H > S+ 0 0 88 -4,-0.4 4,-2.5 2,-0.2 5,-0.2 0.932 112.0 51.2 -67.3 -45.9 37.7 32.2 5.8 70 70 A V H > S+ 0 0 47 1,-0.2 4,-2.3 -4,-0.2 5,-0.3 0.887 116.3 41.9 -60.5 -38.4 36.1 30.1 3.1 71 71 A L H X>S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 5,-1.3 0.873 110.5 56.3 -77.5 -35.4 39.5 28.4 2.3 72 72 A R H <5S+ 0 0 70 -4,-2.3 4,-0.4 -5,-0.3 -2,-0.2 0.946 116.3 38.2 -57.7 -46.7 40.5 28.1 5.9 73 73 A N H X5S+ 0 0 23 -4,-2.5 4,-0.9 3,-0.2 -2,-0.2 0.904 129.2 28.8 -71.4 -45.0 37.3 26.2 6.6 74 74 A N H X5S+ 0 0 9 -4,-2.3 4,-2.3 -5,-0.2 -3,-0.2 0.853 124.3 42.6 -90.6 -38.0 37.1 24.1 3.4 75 75 A A H X5S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.3 5,-0.2 0.858 117.3 51.7 -74.0 -33.3 40.8 23.7 2.3 76 76 A G H >< S+ 0 0 5 -4,-2.1 3,-0.5 1,-0.2 -2,-0.2 0.926 103.2 50.7 -59.2 -50.8 42.5 11.2 8.5 85 85 A W H >< S+ 0 0 4 -4,-2.4 3,-1.1 1,-0.3 -1,-0.2 0.894 112.6 46.7 -57.7 -42.5 41.6 8.5 6.0 86 86 A K H 3< S+ 0 0 134 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.721 105.9 62.1 -71.2 -21.9 45.3 7.5 5.6 87 87 A G T << S+ 0 0 16 -4,-1.2 106,-2.9 -3,-0.5 2,-0.4 0.291 90.4 82.2 -88.9 11.2 45.7 7.5 9.3 88 88 A L B < +A 192 0A 3 -3,-1.1 2,-0.2 104,-0.2 104,-0.2 -0.951 46.3 130.1-120.4 137.4 43.2 4.7 9.9 89 89 A K - 0 0 103 102,-2.7 3,-0.5 -2,-0.4 105,-0.2 -0.804 44.4-122.4-179.7 136.7 43.8 1.0 9.6 90 90 A K S S+ 0 0 91 -77,-0.3 101,-0.1 -2,-0.2 100,-0.0 -0.492 86.3 33.9 -84.6 157.6 43.2 -2.1 11.8 91 91 A G S S+ 0 0 83 99,-0.4 2,-0.2 1,-0.2 -1,-0.2 0.630 79.3 130.9 78.2 15.7 45.9 -4.5 12.9 92 92 A T - 0 0 23 -3,-0.5 2,-0.4 100,-0.2 -1,-0.2 -0.616 41.5-147.7 -98.5 162.5 48.9 -2.1 13.3 93 93 A T - 0 0 89 -2,-0.2 2,-0.3 100,-0.0 100,-0.0 -0.995 16.9-120.5-133.8 135.7 51.2 -1.9 16.3 94 94 A L + 0 0 30 -2,-0.4 2,-0.3 4,-0.1 101,-0.1 -0.544 59.6 121.4 -70.3 131.8 53.0 1.0 17.9 95 95 A Q >> + 0 0 109 -2,-0.3 4,-1.4 99,-0.2 3,-0.6 -0.936 31.3 45.5-169.3-171.2 56.7 0.3 17.8 96 96 A G H 3> S- 0 0 56 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 -0.146 112.2 -20.5 59.3-150.5 60.2 1.4 16.7 97 97 A D H 3> S+ 0 0 130 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.834 134.7 59.0 -61.9 -36.3 61.4 5.0 17.0 98 98 A L H <> S+ 0 0 3 -3,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.948 107.3 46.4 -59.9 -48.4 57.9 6.4 17.3 99 99 A K H X S+ 0 0 82 -4,-1.4 4,-2.4 1,-0.2 5,-0.2 0.907 112.5 51.0 -60.0 -41.7 57.1 4.4 20.4 100 100 A A H X S+ 0 0 51 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.901 109.9 49.6 -62.9 -41.7 60.5 5.4 21.8 101 101 A A H X S+ 0 0 2 -4,-2.7 4,-2.6 2,-0.2 37,-0.2 0.870 110.5 50.6 -65.5 -37.9 59.8 9.1 21.2 102 102 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.930 111.2 46.6 -66.3 -46.2 56.3 8.8 22.8 103 103 A E H X S+ 0 0 84 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.858 113.7 52.1 -64.7 -32.7 57.7 7.1 26.0 104 104 A R H < S+ 0 0 149 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.948 118.8 31.8 -68.9 -49.7 60.4 9.8 26.0 105 105 A D H < S+ 0 0 50 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.703 133.2 30.4 -83.8 -19.7 58.1 12.8 25.8 106 106 A F H < S- 0 0 36 -4,-2.5 2,-0.4 -5,-0.2 -3,-0.2 0.457 99.8-121.9-117.0 -4.2 55.1 11.4 27.7 107 107 A G S < S+ 0 0 56 -4,-1.3 2,-0.3 -5,-0.3 -4,-0.2 -0.158 84.8 3.7 90.9 -41.9 56.8 9.0 30.1 108 108 A S S > S- 0 0 32 -2,-0.4 4,-1.9 -6,-0.3 5,-0.1 -0.975 76.7-102.6-165.3 166.3 54.8 6.1 28.7 109 109 A V H > S+ 0 0 27 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.884 120.6 53.2 -65.2 -38.3 52.3 5.1 26.1 110 110 A D H > S+ 0 0 121 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.892 107.6 49.8 -64.7 -40.4 49.5 5.1 28.6 111 111 A N H > S+ 0 0 85 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.898 111.0 51.3 -64.2 -39.9 50.4 8.6 29.8 112 112 A F H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.947 109.4 48.7 -60.6 -50.6 50.3 9.7 26.1 113 113 A K H X S+ 0 0 62 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.880 110.9 51.2 -57.2 -40.4 46.9 8.1 25.5 114 114 A A H X S+ 0 0 53 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.893 111.5 47.3 -64.7 -41.1 45.6 9.8 28.6 115 115 A E H X S+ 0 0 80 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.904 113.1 48.1 -66.8 -42.8 46.9 13.2 27.5 116 116 A F H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.925 111.7 49.6 -63.9 -46.0 45.5 12.7 24.0 117 117 A E H X S+ 0 0 50 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.882 109.6 52.3 -60.8 -38.9 42.1 11.7 25.3 118 118 A K H X S+ 0 0 122 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.918 112.0 44.9 -64.6 -43.4 42.0 14.7 27.6 119 119 A A H X S+ 0 0 16 -4,-2.0 4,-0.9 2,-0.2 -2,-0.2 0.905 115.1 48.1 -67.6 -40.9 42.7 17.1 24.7 120 120 A A H < S+ 0 0 0 -4,-2.7 3,-0.3 1,-0.2 -2,-0.2 0.887 115.6 43.8 -67.5 -39.1 40.2 15.4 22.4 121 121 A A H < S+ 0 0 49 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.792 111.2 54.1 -77.6 -27.5 37.5 15.3 25.0 122 122 A S H < S+ 0 0 82 -4,-1.9 2,-0.7 -5,-0.2 -1,-0.2 0.609 76.2 108.7 -83.6 -13.2 38.1 18.9 26.2 123 123 A R < - 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0 0 22 33,-0.2 2,-0.4 34,-0.0 37,-0.1 -0.651 360.0-144.0 -89.1 144.4 20.6 26.1 38.1 209 3 B T - 0 0 114 -2,-0.3 3,-0.0 3,-0.0 -1,-0.0 -0.857 22.3-115.4-106.2 141.0 17.9 23.5 37.6 210 4 B L - 0 0 39 -2,-0.4 2,-0.1 1,-0.0 28,-0.1 -0.657 40.5-129.2 -72.1 118.2 17.5 21.5 34.4 211 5 B P - 0 0 43 0, 0.0 2,-0.2 0, 0.0 -1,-0.0 -0.394 14.1-123.6 -70.4 147.9 14.1 22.7 33.2 212 6 B S - 0 0 106 1,-0.1 -3,-0.0 -2,-0.1 79,-0.0 -0.590 34.8-100.5 -85.6 155.5 11.6 20.0 32.2 213 7 B L - 0 0 21 -2,-0.2 -1,-0.1 2,-0.1 4,-0.1 -0.444 19.1-129.3 -74.7 150.0 10.2 20.2 28.6 214 8 B P S S+ 0 0 89 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.236 89.9 26.2 -83.7 17.2 6.8 21.8 28.1 215 9 B Y S S- 0 0 46 80,-0.0 -2,-0.1 5,-0.0 5,-0.0 -0.964 97.1 -74.3-163.6 170.6 5.7 18.8 26.1 216 10 B A > - 0 0 58 -2,-0.3 3,-1.8 1,-0.1 4,-0.2 -0.317 47.8-108.3 -71.3 160.5 6.4 15.1 25.5 217 11 B Y T 3 S+ 0 0 68 1,-0.3 3,-0.3 2,-0.1 12,-0.2 0.730 121.1 46.5 -63.2 -21.0 9.6 14.0 23.7 218 12 B D T > S+ 0 0 85 1,-0.2 3,-1.3 2,-0.1 -1,-0.3 0.296 80.5 103.2-104.0 10.4 7.6 13.0 20.7 219 13 B A T < S+ 0 0 39 -3,-1.8 77,-0.3 1,-0.3 -1,-0.2 0.636 79.9 51.4 -68.2 -14.6 5.4 16.1 20.6 220 14 B L T >> S+ 0 0 2 -3,-0.3 3,-1.7 4,-0.2 4,-1.5 0.408 91.1 153.8-102.8 0.9 7.4 17.6 17.7 221 15 B E T <4 + 0 0 71 -3,-1.3 4,-0.1 1,-0.3 75,-0.0 -0.345 52.5 29.7 -63.3 153.3 7.1 14.5 15.4 222 16 B P T 34 S+ 0 0 83 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 -0.928 128.1 44.5 -91.2 17.8 7.2 14.1 12.5 223 17 B H T <4 S+ 0 0 32 -3,-1.7 2,-0.5 1,-0.3 -2,-0.2 0.960 120.1 27.3 -82.7 -60.2 9.4 17.1 12.2 224 18 B F S < S- 0 0 9 -4,-1.5 -1,-0.3 169,-0.1 -4,-0.2 -0.932 93.6-115.9-106.5 128.2 12.0 16.7 15.0 225 19 B D > - 0 0 19 -2,-0.5 4,-2.1 -3,-0.1 3,-0.1 -0.336 8.4-133.2 -68.9 142.3 12.7 13.1 16.1 226 20 B K H > S+ 0 0 88 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.850 103.8 58.4 -58.5 -41.0 11.8 11.9 19.6 227 21 B Q H > S+ 0 0 109 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.922 109.2 43.8 -59.5 -45.0 15.2 10.2 20.0 228 22 B T H > S+ 0 0 6 2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.925 109.1 56.4 -67.5 -44.7 17.1 13.4 19.5 229 23 B M H X S+ 0 0 4 -4,-2.1 4,-1.8 -12,-0.2 5,-0.2 0.918 111.1 45.5 -53.3 -43.7 14.8 15.4 21.7 230 24 B E H X S+ 0 0 82 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.921 117.4 41.0 -67.6 -46.5 15.4 13.0 24.6 231 25 B I H X>S+ 0 0 22 -4,-2.1 4,-2.2 2,-0.2 5,-1.7 0.929 113.8 53.9 -66.5 -45.3 19.2 12.9 24.2 232 26 B H H <>S+ 0 0 4 -4,-3.4 5,-2.4 -5,-0.2 -2,-0.2 0.887 119.7 33.6 -56.3 -42.1 19.5 16.6 23.5 233 27 B H H <>S+ 0 0 11 -4,-1.8 5,-1.1 -5,-0.3 -2,-0.2 0.965 125.0 36.6 -80.5 -57.6 17.6 17.4 26.7 234 28 B T H <5S+ 0 0 44 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.678 131.8 24.5 -74.3 -19.2 18.7 14.6 29.2 235 29 B K T X5S+ 0 0 103 -4,-2.2 4,-1.8 -5,-0.3 -3,-0.2 0.800 128.7 32.0-108.5 -62.0 22.3 14.3 28.1 236 30 B H H >< S+ 0 0 62 -4,-2.5 3,-0.6 1,-0.2 4,-0.3 0.906 110.7 48.4 -61.1 -41.1 30.2 23.2 39.3 247 41 B A H 3< S+ 0 0 9 -4,-1.8 3,-0.4 1,-0.2 -1,-0.2 0.806 111.4 50.1 -68.5 -31.3 31.9 26.3 38.2 248 42 B L H >< S+ 0 0 5 -4,-1.9 3,-2.1 1,-0.2 7,-0.3 0.541 81.1 96.1 -86.1 -7.6 29.6 28.6 40.2 249 43 B E T << S+ 0 0 166 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.1 0.881 91.8 39.4 -48.1 -45.7 30.1 26.6 43.4 250 44 B S T 3 S+ 0 0 78 -3,-0.4 -1,-0.3 -4,-0.3 3,-0.2 0.372 106.7 70.0 -88.3 3.5 32.8 29.0 44.6 251 45 B L X> + 0 0 10 -3,-2.1 4,-2.7 1,-0.2 3,-0.8 -0.543 51.1 163.5-121.4 67.0 31.0 32.1 43.3 252 46 B P H 3> S+ 0 0 77 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.871 76.1 59.1 -48.2 -43.8 27.9 32.6 45.5 253 47 B E H 34 S+ 0 0 115 1,-0.2 4,-0.3 2,-0.2 3,-0.2 0.877 115.3 32.9 -55.1 -44.1 27.6 36.2 44.3 254 48 B F H X4 S+ 0 0 27 -3,-0.8 3,-1.0 1,-0.2 -1,-0.2 0.758 107.6 69.8 -85.2 -27.4 27.2 35.1 40.7 255 49 B A H 3< S+ 0 0 21 -4,-2.7 -2,-0.2 -7,-0.3 -1,-0.2 0.713 93.6 59.0 -63.7 -20.7 25.4 31.9 41.5 256 50 B N T 3< S+ 0 0 134 -4,-1.0 -1,-0.2 -3,-0.2 -2,-0.2 0.728 86.2 94.8 -81.5 -23.5 22.3 33.8 42.6 257 51 B L S < S- 0 0 35 -3,-1.0 2,-0.1 -4,-0.3 -3,-0.0 -0.327 86.1-104.6 -70.8 149.3 21.8 35.6 39.3 258 52 B P >> - 0 0 68 0, 0.0 4,-2.3 0, 0.0 3,-1.2 -0.437 36.2-114.0 -67.4 150.0 19.4 34.2 36.6 259 53 B V H 3> S+ 0 0 7 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.881 115.5 58.2 -56.4 -39.0 21.4 32.6 33.8 260 54 B E H 34 S+ 0 0 98 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.782 111.1 43.3 -61.8 -26.7 20.3 35.2 31.3 261 55 B E H X4 S+ 0 0 81 -3,-1.2 3,-1.5 2,-0.1 4,-0.2 0.864 108.0 58.4 -85.4 -39.9 21.8 37.9 33.5 262 56 B L H >< S+ 0 0 0 -4,-2.3 3,-2.1 1,-0.3 -2,-0.2 0.903 100.0 56.7 -56.1 -45.1 25.0 36.0 34.3 263 57 B I T 3< S+ 0 0 0 -4,-2.0 3,-0.4 1,-0.3 -1,-0.3 0.586 98.5 62.1 -68.2 -6.6 26.0 35.7 30.6 264 58 B T T < S+ 0 0 67 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.460 106.5 46.5 -93.1 -2.3 25.8 39.5 30.3 265 59 B K X + 0 0 58 -3,-2.1 3,-1.6 -4,-0.2 4,-0.3 -0.014 65.5 128.2-127.9 29.6 28.6 39.9 32.9 266 60 B L G > S+ 0 0 2 -3,-0.4 3,-1.1 1,-0.3 -1,-0.1 0.773 70.6 63.5 -57.9 -27.2 31.2 37.3 31.7 267 61 B D G 3 S+ 0 0 110 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.750 95.4 58.4 -70.1 -23.6 33.9 40.0 31.9 268 62 B Q G < S+ 0 0 128 -3,-1.6 -1,-0.2 2,-0.1 -2,-0.2 0.448 89.0 98.5 -85.2 -1.0 33.4 40.4 35.6 269 63 B L S < S- 0 0 11 -3,-1.1 5,-0.1 -4,-0.3 -3,-0.0 -0.518 90.3 -86.7 -87.0 155.2 34.2 36.7 36.3 270 64 B P >> - 0 0 54 0, 0.0 3,-2.4 0, 0.0 4,-1.2 -0.297 41.8-114.3 -57.6 143.8 37.7 35.4 37.4 271 65 B A T 34 S+ 0 0 98 1,-0.3 4,-0.5 2,-0.2 3,-0.2 0.812 115.6 54.2 -50.0 -35.1 39.9 34.8 34.3 272 66 B D T 34 S+ 0 0 126 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.481 111.5 43.2 -82.0 -2.3 39.9 31.0 35.1 273 67 B K T <> S+ 0 0 34 -3,-2.4 4,-1.8 -7,-0.1 5,-0.3 0.505 91.1 86.1-116.1 -10.9 36.1 30.7 35.1 274 68 B K H X S+ 0 0 69 -4,-1.2 4,-2.2 -3,-0.2 5,-0.1 0.919 91.8 40.5 -58.6 -52.2 35.2 32.9 32.1 275 69 B T H > S+ 0 0 89 -4,-0.5 4,-2.5 2,-0.2 5,-0.3 0.928 114.0 51.0 -67.6 -46.5 35.5 30.3 29.3 276 70 B V H > S+ 0 0 50 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.893 116.2 42.3 -59.8 -39.2 33.9 27.4 31.2 277 71 B L H X>S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 5,-1.4 0.873 110.4 56.2 -76.3 -35.7 30.9 29.5 32.1 278 72 B R H <5S+ 0 0 73 -4,-2.2 4,-0.4 -5,-0.3 -2,-0.2 0.945 116.4 37.7 -58.3 -46.2 30.7 31.1 28.6 279 73 B N H X5S+ 0 0 21 -4,-2.5 4,-0.9 3,-0.2 -2,-0.2 0.897 129.5 29.4 -73.1 -42.8 30.4 27.6 27.1 280 74 B N H X5S+ 0 0 10 -4,-2.4 4,-2.4 -5,-0.3 -36,-0.2 0.865 123.8 42.6 -90.3 -39.6 28.2 26.0 29.7 281 75 B A H X5S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.3 5,-0.2 0.872 117.5 51.5 -72.5 -36.0 26.1 28.8 31.2 282 76 B G H >< S+ 0 0 4 -4,-2.4 3,-1.1 1,-0.3 -1,-0.2 0.906 112.8 46.2 -56.9 -44.6 12.8 24.2 24.4 292 86 B K H 3< S+ 0 0 132 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.728 106.0 62.2 -70.7 -22.0 10.2 27.0 25.0 293 87 B G T 3< S+ 0 0 15 -4,-1.3 106,-3.1 -3,-0.5 2,-0.4 0.295 90.3 82.7 -88.6 10.0 10.5 28.2 21.5 294 88 B L B < +D 398 0C 3 -3,-1.1 104,-0.2 104,-0.3 2,-0.2 -0.942 46.4 129.9-118.5 138.8 9.3 25.0 19.9 295 89 B K > - 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0 0 49 0, 0.0 3,-2.1 0, 0.0 4,-1.5 -0.318 39.0-114.0 -61.3 146.5 67.5 18.4 7.1 683 65 D A H 3> S+ 0 0 70 1,-0.3 4,-0.7 2,-0.2 3,-0.4 0.875 115.4 53.8 -49.5 -46.0 68.1 16.2 10.1 684 66 D D H 34 S+ 0 0 128 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.518 114.4 41.9 -70.5 -5.4 71.8 15.9 9.4 685 67 D K H <> S+ 0 0 37 -3,-2.1 4,-2.0 2,-0.1 5,-0.3 0.561 93.3 82.8-114.0 -17.9 72.2 19.7 9.4 686 68 D K H X S+ 0 0 19 -4,-1.5 4,-2.2 -3,-0.4 5,-0.2 0.918 94.3 40.5 -56.2 -52.3 70.0 20.6 12.3 687 69 D T H X S+ 0 0 90 -4,-0.7 4,-2.6 2,-0.2 5,-0.3 0.928 113.7 51.6 -67.0 -46.4 72.4 20.0 15.2 688 70 D V H > S+ 0 0 48 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.902 116.1 41.7 -59.2 -41.0 75.5 21.5 13.5 689 71 D L H X>S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 5,-1.3 0.870 110.5 56.5 -76.1 -34.3 73.7 24.7 12.6 690 72 D R H <5S+ 0 0 68 -4,-2.2 4,-0.4 -5,-0.3 -2,-0.2 0.946 116.5 37.7 -58.5 -46.5 71.9 24.9 16.0 691 73 D N H X5S+ 0 0 23 -4,-2.6 4,-0.9 3,-0.2 -2,-0.2 0.903 129.5 29.0 -72.5 -44.0 75.3 24.8 17.7 692 74 D N H X5S+ 0 0 12 -4,-2.5 4,-2.4 -5,-0.3 -3,-0.2 0.867 124.0 43.0 -90.4 -39.0 77.3 27.0 15.2 693 75 D A H X5S+ 0 0 0 -4,-2.1 4,-2.8 -5,-0.3 5,-0.2 0.870 117.2 51.5 -71.9 -35.4 74.7 29.3 13.7 694 76 D G H >< S+ 0 0 6 -4,-2.1 3,-0.6 1,-0.2 -2,-0.2 0.928 103.7 50.9 -57.9 -50.9 77.3 39.8 22.7 703 85 D W H >< S+ 0 0 3 -4,-2.4 3,-1.2 1,-0.3 -1,-0.2 0.906 112.6 46.1 -56.0 -45.6 80.0 42.1 21.1 704 86 D K H 3< S+ 0 0 113 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.711 106.1 62.2 -71.2 -20.4 77.4 44.8 20.4 705 87 D G T << S+ 0 0 16 -4,-1.2 106,-3.0 -3,-0.6 2,-0.4 0.293 90.3 82.2 -90.3 10.8 76.0 44.5 23.9 706 88 D L B < +J 810 0G 2 -3,-1.2 104,-0.2 104,-0.3 2,-0.2 -0.943 46.4 130.1-119.2 140.0 79.3 45.5 25.7 707 89 D K - 0 0 99 102,-3.2 3,-0.5 -2,-0.4 105,-0.2 -0.785 44.6-121.8 177.4 136.7 80.6 49.0 26.3 708 90 D K S S+ 0 0 90 -77,-0.3 101,-0.1 -2,-0.2 100,-0.1 -0.496 86.6 33.7 -85.1 157.3 81.9 51.0 29.2 709 91 D G S S+ 0 0 77 99,-0.5 2,-0.2 1,-0.2 -1,-0.2 0.638 79.1 132.5 77.6 16.5 80.4 54.2 30.5 710 92 D T - 0 0 25 -3,-0.5 2,-0.4 100,-0.2 -1,-0.2 -0.610 41.0-147.2 -97.7 163.0 76.7 53.6 29.8 711 93 D T - 0 0 87 -2,-0.2 2,-0.3 100,-0.0 100,-0.0 -0.994 16.1-122.7-133.6 132.8 73.8 54.3 32.2 712 94 D L + 0 0 21 -2,-0.4 2,-0.3 4,-0.1 101,-0.1 -0.554 59.3 120.1 -70.9 132.3 70.5 52.4 32.6 713 95 D Q >> + 0 0 115 -2,-0.3 4,-1.4 99,-0.1 3,-0.6 -0.938 31.7 46.3-170.1-170.9 67.7 54.9 32.1 714 96 D G H 3> S- 0 0 56 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 -0.151 112.2 -19.7 59.8-150.6 64.6 55.9 30.2 715 97 D D H 3> S+ 0 0 133 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.833 135.0 58.3 -60.0 -38.8 61.9 53.4 29.3 716 98 D L H <> S+ 0 0 3 -3,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.946 107.4 46.6 -59.5 -48.8 64.1 50.4 29.8 717 99 D K H X S+ 0 0 81 -4,-1.4 4,-2.4 1,-0.2 5,-0.2 0.903 112.5 51.0 -59.8 -41.8 64.8 51.3 33.4 718 100 D A H X S+ 0 0 53 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.909 110.0 49.5 -62.4 -43.1 61.1 51.9 34.0 719 101 D A H X S+ 0 0 6 -4,-2.7 4,-2.6 2,-0.2 37,-0.2 0.868 110.7 50.3 -64.7 -38.2 60.2 48.6 32.5 720 102 D I H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.934 111.3 46.9 -66.5 -46.3 62.8 46.8 34.6 721 103 D E H X S+ 0 0 85 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.856 113.7 52.1 -64.2 -32.4 61.6 48.4 37.8 722 104 D R H < S+ 0 0 150 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.946 118.7 31.7 -68.9 -50.2 58.0 47.6 36.8 723 105 D D H < S+ 0 0 57 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.691 133.1 30.5 -84.2 -18.7 58.6 43.8 36.1 724 106 D F H < S- 0 0 36 -4,-2.6 2,-0.4 -5,-0.2 -3,-0.2 0.451 99.9-121.8-117.7 -3.5 61.3 43.2 38.7 725 107 D G S < S+ 0 0 55 -4,-1.3 2,-0.3 -5,-0.3 -4,-0.2 -0.160 84.7 3.6 90.7 -42.2 60.3 45.7 41.4 726 108 D S S > S- 0 0 33 -2,-0.4 4,-1.9 -6,-0.3 5,-0.1 -0.974 76.7-102.6-164.8 167.1 63.7 47.4 41.2 727 109 D V H > S+ 0 0 28 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.883 120.3 55.2 -66.2 -37.9 67.0 47.4 39.4 728 110 D D H > S+ 0 0 122 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.876 107.0 50.1 -63.3 -36.9 68.7 45.6 42.3 729 111 D N H > S+ 0 0 82 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.909 110.1 50.2 -67.8 -42.0 66.0 42.8 42.1 730 112 D F H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.941 110.6 49.6 -60.0 -48.8 66.6 42.4 38.4 731 113 D K H X S+ 0 0 66 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.885 110.1 51.2 -57.6 -40.7 70.3 42.2 38.9 732 114 D A H X S+ 0 0 49 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.904 111.6 47.2 -64.3 -41.5 69.8 39.6 41.6 733 115 D E H X S+ 0 0 87 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.897 113.0 48.6 -66.6 -41.9 67.6 37.5 39.3 734 116 D F H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.930 111.6 48.9 -64.4 -46.5 70.0 37.8 36.4 735 117 D E H X S+ 0 0 45 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.878 109.5 53.1 -61.6 -37.2 73.0 36.8 38.5 736 118 D K H X S+ 0 0 114 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.917 111.8 44.7 -64.3 -43.5 71.0 33.8 39.9 737 119 D A H X S+ 0 0 15 -4,-2.0 4,-1.0 2,-0.2 -2,-0.2 0.908 115.4 47.9 -67.0 -41.7 70.2 32.6 36.4 738 120 D A H < S+ 0 0 0 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.883 116.5 42.5 -66.9 -39.0 73.8 33.1 35.2 739 121 D A H < S+ 0 0 55 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.810 111.2 54.5 -78.8 -30.1 75.3 31.4 38.2 740 122 D S H < S+ 0 0 80 -4,-2.1 2,-0.6 -5,-0.2 -1,-0.2 0.659 77.2 108.2 -79.1 -16.7 72.9 28.5 38.3 741 123 D R < - 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0 0 6 -3,-2.7 -4,-0.1 9,-0.1 -19,-0.0 -0.329 39.9-155.7 -69.5 158.0 70.8 27.7 22.2 766 148 D S > - 0 0 2 -91,-0.1 3,-2.5 4,-0.1 4,-0.3 -0.980 28.5-121.2-137.1 147.8 68.9 31.0 21.9 767 149 D P G > S+ 0 0 2 0, 0.0 3,-1.7 0, 0.0 11,-0.5 0.792 111.8 70.2 -56.9 -26.5 65.4 32.1 23.1 768 150 D L G 3 S+ 0 0 49 1,-0.3 3,-0.1 9,-0.2 9,-0.1 0.701 86.2 67.2 -64.1 -18.9 64.8 32.9 19.4 769 151 D M G < S- 0 0 12 -3,-2.5 4,-0.3 1,-0.2 -1,-0.3 0.614 111.0-114.2 -78.1 -13.2 64.8 29.2 18.7 770 152 D G <> - 0 0 18 -3,-1.7 4,-2.4 -4,-0.3 6,-0.6 -0.069 25.0 -80.1 98.4 159.3 61.6 28.7 20.6 771 153 D E H > S+ 0 0 113 4,-0.2 4,-1.6 1,-0.2 -1,-0.1 0.856 121.7 61.1 -67.1 -37.4 60.7 26.8 23.8 772 154 D A H 4 S+ 0 0 23 2,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.893 118.7 28.0 -58.2 -40.6 60.5 23.4 22.2 773 155 D I H 4 S+ 0 0 18 -4,-0.3 -2,-0.2 -3,-0.2 -1,-0.1 0.945 136.2 23.4 -86.1 -55.0 64.2 23.6 21.2 774 156 D S H < S- 0 0 15 -4,-2.4 -12,-0.3 2,-0.4 -3,-0.2 0.609 93.9-121.8 -91.1 -15.7 65.9 25.9 23.8 775 157 D G S < S+ 0 0 53 -4,-1.6 2,-0.3 -5,-0.5 -4,-0.2 0.502 88.3 69.2 85.3 2.8 63.5 25.6 26.8 776 158 D A - 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0 0 15 -106,-3.0 4,-1.9 -2,-0.3 3,-0.2 -0.642 28.3-179.8 -80.0 93.9 76.0 48.4 27.0 812 194 D W H > S+ 0 0 19 -2,-1.3 4,-2.5 -105,-0.2 -1,-0.2 0.774 77.8 61.6 -66.3 -25.9 72.7 49.9 28.2 813 195 D D H > S+ 0 0 80 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.939 107.6 42.4 -65.8 -45.8 72.4 52.1 25.1 814 196 D E H > S+ 0 0 53 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.888 113.7 53.2 -67.0 -38.8 72.2 49.1 22.8 815 197 D A H X S+ 0 0 3 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.912 109.8 48.1 -61.7 -43.2 69.9 47.3 25.2 816 198 D A H X S+ 0 0 38 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.910 110.0 52.7 -63.9 -42.3 67.6 50.3 25.2 817 199 D A H X S+ 0 0 52 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.911 110.9 45.9 -60.4 -44.7 67.7 50.4 21.4 818 200 D R H X S+ 0 0 48 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.868 111.1 53.5 -66.6 -36.5 66.7 46.7 21.1 819 201 D F H < S+ 0 0 21 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.897 109.5 48.5 -64.3 -41.0 64.0 47.2 23.7 820 202 D A H < S+ 0 0 72 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.935 113.8 45.8 -64.3 -47.5 62.5 50.1 21.7 821 203 D A H < S- 0 0 60 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.913 78.6-171.0 -62.0 -46.0 62.6 48.1 18.4 822 204 D K < 0 0 94 -4,-2.7 -1,-0.1 1,-0.2 -3,-0.1 0.428 360.0 360.0 66.2 -3.1 61.1 45.0 20.0 823 205 D K 0 0 215 -5,-0.2 -1,-0.2 -44,-0.0 -2,-0.1 -0.872 360.0 360.0-130.7 360.0 61.9 43.3 16.7