==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 31-JUL-09 3II9 . COMPND 2 MOLECULE: GLUTARYL-COA DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA PSEUDOMALLEI 1710B; . AUTHOR R.F.ISMAGILOV,L.LI,W.B.DU,B.STAKER,ACCELERATED TECHNOLOGIES . 1540 11 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 53012.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1151 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 155 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 11 0.7 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 . 56 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 145 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 687 44.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 50 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 0 0 4 3 1 4 3 6 5 5 0 1 4 0 0 0 0 0 0 0 3 1 0 0 0 8 RESIDUES PER ALPHA HELIX . 0 4 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 7 9 0 0 4 0 0 1 4 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 0 0 0 0 4 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 3 A A 0 0 149 0, 0.0 2,-0.3 0, 0.0 702,-0.1 0.000 360.0 360.0 360.0 4.8 11.6 -35.4 26.1 2 4 A A - 0 0 39 700,-0.2 2,-0.3 1,-0.0 702,-0.3 -0.476 360.0-146.7 -73.9 129.2 13.9 -32.9 24.3 3 5 A T - 0 0 104 -2,-0.3 2,-0.4 700,-0.1 700,-0.3 -0.713 15.4-123.6 -89.6 142.1 17.2 -32.0 26.1 4 6 A F - 0 0 29 -2,-0.3 2,-0.7 698,-0.1 3,-0.1 -0.718 14.5-155.8 -83.9 131.6 18.7 -28.5 25.8 5 7 A H > - 0 0 82 -2,-0.4 3,-1.9 4,-0.2 6,-0.2 -0.894 5.1-168.6-105.4 97.4 22.2 -28.3 24.5 6 8 A W T 3 S+ 0 0 60 -2,-0.7 -1,-0.1 1,-0.3 758,-0.1 0.847 87.7 49.3 -58.3 -32.0 23.6 -25.0 25.8 7 9 A D T 3 S+ 0 0 82 1,-0.3 -1,-0.3 -3,-0.1 256,-0.0 0.513 129.2 20.1 -85.9 -3.9 26.6 -25.2 23.5 8 10 A D S X S+ 0 0 34 -3,-1.9 3,-2.2 3,-0.0 -1,-0.3 -0.387 70.8 171.7-159.7 62.8 24.5 -25.9 20.4 9 11 A P T 3 S+ 0 0 3 0, 0.0 694,-0.2 0, 0.0 -4,-0.2 0.814 81.4 43.1 -55.8 -35.7 21.0 -24.8 21.1 10 12 A L T 3 S- 0 0 2 692,-0.1 4,-0.1 -6,-0.1 -6,-0.0 0.296 110.0-120.4 -94.8 10.5 19.7 -25.2 17.5 11 13 A L X> + 0 0 12 -3,-2.2 3,-1.5 -6,-0.2 4,-0.6 0.937 38.2 179.2 53.8 55.2 21.5 -28.6 17.1 12 14 A L G >4 S+ 0 0 3 1,-0.3 3,-1.8 2,-0.2 4,-0.4 0.877 78.6 68.3 -48.1 -41.5 23.7 -27.6 14.1 13 15 A D G >4 S+ 0 0 56 1,-0.3 3,-0.9 2,-0.2 -1,-0.3 0.839 98.3 48.6 -47.2 -41.0 25.0 -31.1 14.4 14 16 A Q G <4 S+ 0 0 113 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.557 103.2 62.2 -81.5 -8.6 21.6 -32.5 13.3 15 17 A Q G << S+ 0 0 42 -3,-1.8 2,-0.3 -4,-0.6 -1,-0.2 0.416 91.9 86.3 -93.6 -0.9 21.5 -30.1 10.3 16 18 A L S < S- 0 0 13 -3,-0.9 2,-0.1 -4,-0.4 -3,-0.0 -0.749 79.5-117.8-100.3 149.1 24.6 -31.6 8.8 17 19 A A > - 0 0 41 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.382 35.5-104.7 -71.5 162.0 24.9 -34.6 6.5 18 20 A D H > S+ 0 0 104 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.896 121.9 48.6 -58.4 -44.7 26.9 -37.6 7.8 19 21 A D H > S+ 0 0 87 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.859 109.3 53.3 -64.1 -36.7 29.9 -36.8 5.6 20 22 A E H > S+ 0 0 4 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.891 107.9 50.6 -66.1 -40.0 29.9 -33.2 6.7 21 23 A R H X S+ 0 0 79 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.882 109.0 52.1 -64.5 -36.7 30.0 -34.3 10.4 22 24 A M H X S+ 0 0 135 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.892 110.1 48.4 -64.5 -41.4 32.9 -36.6 9.5 23 25 A V H X S+ 0 0 21 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.932 112.3 48.9 -62.4 -48.7 34.8 -33.6 8.0 24 26 A R H X S+ 0 0 40 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.929 112.5 47.9 -56.5 -47.5 34.0 -31.5 11.0 25 27 A D H X S+ 0 0 83 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.880 111.1 50.6 -63.1 -39.3 35.2 -34.3 13.4 26 28 A A H X S+ 0 0 45 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.906 112.7 46.6 -62.9 -44.3 38.4 -34.8 11.4 27 29 A A H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.893 113.2 49.5 -64.7 -42.2 39.2 -31.0 11.4 28 30 A H H X S+ 0 0 85 -4,-2.6 4,-2.8 -5,-0.2 5,-0.3 0.924 110.0 50.0 -63.2 -45.8 38.5 -30.9 15.1 29 31 A A H X S+ 0 0 63 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.902 115.2 44.5 -60.5 -41.8 40.7 -33.9 15.9 30 32 A Y H X>S+ 0 0 19 -4,-2.0 4,-2.9 2,-0.2 5,-0.8 0.951 115.5 45.7 -66.5 -50.0 43.5 -32.3 13.9 31 33 A A H X>S+ 0 0 0 -4,-2.9 5,-2.5 1,-0.2 4,-1.4 0.941 119.0 40.9 -64.4 -44.5 43.1 -28.8 15.3 32 34 A Q H <5S+ 0 0 78 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.858 121.8 41.9 -71.7 -34.6 42.8 -29.9 18.9 33 35 A G H <5S+ 0 0 46 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.849 132.0 15.9 -79.4 -37.0 45.6 -32.6 18.7 34 36 A K H <5S+ 0 0 107 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.649 129.3 38.7-117.0 -23.9 48.2 -30.7 16.6 35 37 A L T >X S+ 0 0 53 -3,-1.2 4,-2.4 -4,-0.2 3,-0.3 0.722 93.9 81.5 -90.1 -28.4 51.5 -25.2 19.5 39 41 A V H X S+ 0 0 6 -4,-1.7 4,-2.7 1,-0.2 5,-0.3 0.812 84.5 52.9 -65.3 -39.0 49.5 -22.1 19.7 40 42 A T H X S+ 0 0 72 -4,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.941 118.2 36.6 -63.1 -47.8 50.5 -20.4 22.9 41 43 A E H > S+ 0 0 130 -3,-0.3 4,-2.5 -4,-0.2 -1,-0.2 0.860 115.3 55.6 -69.9 -40.0 54.2 -20.5 22.1 42 44 A A H X>S+ 0 0 7 -4,-2.4 5,-2.2 1,-0.2 4,-0.9 0.906 113.5 41.1 -61.0 -42.9 53.7 -19.8 18.4 43 45 A F H <5S+ 0 0 33 -4,-2.7 -2,-0.2 3,-0.2 3,-0.2 0.911 114.8 51.1 -72.6 -44.0 51.7 -16.6 19.2 44 46 A R H <5S+ 0 0 134 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.916 122.5 30.4 -58.8 -44.4 54.1 -15.5 22.0 45 47 A H H <5S- 0 0 120 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.450 105.6-121.4 -99.5 -1.4 57.2 -15.8 19.9 46 48 A E T <5 + 0 0 26 -4,-0.9 2,-0.3 1,-0.2 -3,-0.2 0.975 61.2 146.7 57.8 57.9 55.6 -15.1 16.5 47 49 A T < - 0 0 77 -5,-2.2 2,-0.4 -6,-0.1 -1,-0.2 -0.933 34.6-161.6-124.6 148.2 56.7 -18.4 15.0 48 50 A T - 0 0 34 -2,-0.3 2,-0.8 164,-0.1 164,-0.1 -0.997 14.4-142.4-129.9 125.3 55.0 -20.6 12.4 49 51 A D > - 0 0 79 -2,-0.4 3,-1.9 162,-0.2 4,-0.2 -0.809 7.5-158.0 -85.5 111.8 55.8 -24.2 11.8 50 52 A A T >> S+ 0 0 39 -2,-0.8 3,-1.3 1,-0.3 4,-0.6 0.669 84.0 80.9 -66.2 -15.5 55.6 -24.8 8.1 51 53 A A H 3> S+ 0 0 40 1,-0.2 4,-2.1 2,-0.2 3,-0.4 0.772 75.2 77.0 -56.5 -26.4 55.0 -28.5 8.7 52 54 A I H <> S+ 0 0 0 -3,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.835 87.0 57.2 -55.4 -36.0 51.4 -27.6 9.4 53 55 A F H <> S+ 0 0 1 -3,-1.3 4,-2.3 1,-0.2 -1,-0.2 0.911 108.3 45.9 -63.5 -42.1 50.7 -27.3 5.7 54 56 A R H X S+ 0 0 109 -4,-0.6 4,-2.0 -3,-0.4 -2,-0.2 0.880 112.3 51.0 -67.8 -39.7 51.8 -30.9 5.1 55 57 A E H X S+ 0 0 30 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.920 113.8 44.2 -61.6 -46.1 49.8 -32.1 8.1 56 58 A M H <>S+ 0 0 2 -4,-2.6 5,-2.7 1,-0.2 4,-0.4 0.896 112.9 52.1 -67.3 -40.2 46.6 -30.3 6.8 57 59 A G H ><5S+ 0 0 9 -4,-2.3 3,-0.8 70,-0.3 71,-0.2 0.883 104.8 54.3 -65.6 -39.2 47.2 -31.5 3.3 58 60 A E H 3<5S+ 0 0 130 -4,-2.0 -1,-0.2 69,-0.3 -2,-0.2 0.770 110.7 45.2 -73.1 -24.7 47.6 -35.1 4.1 59 61 A I T 3<5S- 0 0 82 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.438 121.6-109.7 -92.9 -0.2 44.2 -35.3 5.9 60 62 A G T < 5S+ 0 0 22 -3,-0.8 -3,-0.2 -4,-0.4 -2,-0.1 0.818 77.6 128.7 85.5 35.8 42.6 -33.3 3.1 61 63 A L < + 0 0 5 -5,-2.7 2,-0.5 65,-0.1 -4,-0.2 0.509 47.4 91.8 -98.9 -5.9 41.9 -29.9 4.6 62 64 A L S S- 0 0 0 64,-0.5 4,-0.1 -6,-0.4 37,-0.1 -0.802 100.0 -0.9 -97.0 128.7 43.5 -27.8 1.9 63 65 A G S > S- 0 0 1 -2,-0.5 3,-1.9 35,-0.3 11,-0.4 0.966 73.1-174.2 59.8 58.3 41.4 -26.6 -1.0 64 66 A P T 3 S+ 0 0 1 0, 0.0 11,-2.8 0, 0.0 -2,-0.1 0.824 80.0 46.7 -52.1 -39.9 38.2 -28.2 0.3 65 67 A T T 3 S+ 0 0 38 9,-0.2 12,-0.1 8,-0.1 -2,-0.1 0.521 86.3 110.6 -82.1 -6.7 36.1 -27.3 -2.8 66 68 A I S < S- 0 0 1 -3,-1.9 8,-2.4 1,-0.1 9,-0.3 -0.528 75.3-109.9 -74.4 131.5 38.8 -28.4 -5.3 67 69 A P > > - 0 0 35 0, 0.0 5,-1.6 0, 0.0 3,-1.6 -0.151 18.6-115.4 -61.1 158.2 37.9 -31.6 -7.2 68 70 A E G > 5S+ 0 0 138 1,-0.3 3,-1.7 3,-0.2 -2,-0.1 0.768 110.1 73.4 -64.9 -28.9 39.5 -34.9 -6.7 69 71 A Q G 3 5S+ 0 0 150 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.762 103.5 39.7 -51.4 -31.9 40.9 -34.8 -10.3 70 72 A Y G < 5S- 0 0 17 -3,-1.6 56,-0.3 52,-0.1 -1,-0.3 0.138 128.3 -91.3-111.2 18.7 43.4 -32.1 -9.1 71 73 A G T < 5S+ 0 0 45 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.349 86.4 129.2 88.8 -5.5 44.3 -33.7 -5.7 72 74 A G S - 0 0 47 -2,-0.1 4,-2.0 1,-0.0 5,-0.2 -0.570 33.9 -86.7-123.7-177.6 31.5 -28.5 -0.8 77 79 A Y H > S+ 0 0 52 230,-0.3 4,-2.5 1,-0.2 5,-0.2 0.876 122.0 56.4 -66.2 -37.7 31.1 -25.0 0.8 78 80 A V H > S+ 0 0 0 229,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.938 109.2 48.4 -58.3 -42.5 29.5 -26.2 4.0 79 81 A S H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.908 108.9 52.4 -62.9 -44.0 32.5 -28.5 4.6 80 82 A Y H X S+ 0 0 3 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.927 110.9 49.0 -55.0 -46.0 34.9 -25.6 3.9 81 83 A G H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.921 109.0 50.9 -61.4 -46.2 33.1 -23.6 6.5 82 84 A L H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.893 110.7 49.6 -60.1 -41.6 33.1 -26.4 9.1 83 85 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.946 109.5 50.7 -61.6 -50.8 36.9 -26.8 8.6 84 86 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.903 109.4 51.9 -53.6 -43.1 37.6 -23.1 9.0 85 87 A R H X S+ 0 0 20 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.898 109.6 48.6 -65.2 -40.5 35.5 -22.9 12.2 86 88 A E H < S+ 0 0 5 -4,-1.9 4,-0.5 2,-0.2 -1,-0.2 0.866 114.7 45.0 -68.7 -34.2 37.5 -25.8 13.7 87 89 A V H >X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 3,-1.2 0.925 113.8 47.9 -73.2 -45.8 40.9 -24.3 12.9 88 90 A E H 3< S+ 0 0 0 -4,-2.8 4,-0.2 1,-0.3 -2,-0.2 0.769 95.9 72.8 -71.7 -23.7 40.0 -20.8 14.0 89 91 A R T 3< S+ 0 0 31 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.838 109.7 35.0 -52.6 -35.1 38.6 -22.2 17.3 90 92 A V T <4 S- 0 0 8 -3,-1.2 2,-0.3 -4,-0.5 -2,-0.2 0.925 140.4 -25.9 -82.2 -57.4 42.3 -22.7 18.0 91 93 A D X - 0 0 0 -4,-2.3 4,-1.7 1,-0.1 3,-0.4 -0.919 38.0-138.1-163.7 139.0 43.6 -19.6 16.3 92 94 A S H > S+ 0 0 0 -2,-0.3 4,-2.8 1,-0.2 5,-0.1 0.764 104.8 64.7 -62.8 -30.1 42.8 -17.1 13.5 93 95 A G H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.919 104.6 44.7 -58.1 -46.5 46.5 -17.2 12.4 94 96 A Y H > S+ 0 0 3 -3,-0.4 4,-1.7 2,-0.2 -2,-0.2 0.893 112.6 50.7 -66.5 -40.4 46.1 -20.9 11.5 95 97 A R H X S+ 0 0 8 -4,-1.7 4,-3.0 1,-0.2 -2,-0.2 0.923 107.2 55.7 -62.7 -39.9 42.8 -20.3 9.7 96 98 A S H X S+ 0 0 8 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.895 104.1 52.7 -60.2 -41.3 44.5 -17.4 7.8 97 99 A M H X S+ 0 0 1 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.916 114.0 43.7 -56.9 -44.6 47.2 -19.8 6.5 98 100 A M H X S+ 0 0 1 -4,-1.7 4,-2.9 2,-0.2 -35,-0.3 0.865 109.9 55.3 -70.0 -42.6 44.5 -22.2 5.2 99 101 A S H X>S+ 0 0 5 -4,-3.0 4,-2.1 2,-0.2 5,-1.3 0.902 110.1 47.6 -53.7 -46.0 42.3 -19.4 3.8 100 102 A V H X>S+ 0 0 9 -4,-2.3 4,-0.8 -5,-0.2 5,-0.8 0.964 113.7 45.8 -60.8 -53.8 45.2 -18.2 1.7 101 103 A Q H <>S+ 0 0 0 -4,-2.0 5,-2.1 -5,-0.2 4,-0.3 0.918 124.6 32.3 -57.0 -46.6 46.1 -21.7 0.5 102 104 A S H <>S+ 0 0 3 -4,-2.9 5,-1.8 3,-0.2 -3,-0.2 0.978 131.8 21.1 -78.5 -61.0 42.5 -22.6 -0.4 103 105 A S H <5S+ 0 0 1 -4,-2.1 -3,-0.2 -5,-0.3 143,-0.2 0.787 128.1 41.1 -86.8 -30.9 40.7 -19.5 -1.5 104 106 A L T < S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.4 0.897 114.5 49.0 -63.5 -36.8 42.2 -18.6 -8.8 109 111 A I H X S+ 0 0 0 -4,-1.6 4,-1.4 1,-0.2 -2,-0.2 0.916 116.1 44.6 -66.9 -39.9 44.4 -21.3 -10.4 110 112 A F H < S+ 0 0 53 -4,-2.6 -1,-0.2 -5,-0.2 -3,-0.2 0.903 121.1 37.0 -68.3 -44.0 41.3 -23.6 -10.6 111 113 A E H < S+ 0 0 97 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.855 134.7 18.2 -77.4 -37.1 38.9 -20.9 -11.9 112 114 A F H < S+ 0 0 5 -4,-2.6 120,-2.2 -5,-0.3 121,-0.2 0.421 99.3 102.3-120.5 -3.7 41.2 -18.9 -14.2 113 115 A G S < S- 0 0 0 -4,-1.4 2,-0.1 -5,-0.4 117,-0.1 -0.281 70.6-105.3 -85.7 167.0 44.2 -21.1 -15.0 114 116 A S > - 0 0 30 113,-0.2 4,-2.2 115,-0.2 5,-0.2 -0.402 37.6-106.3 -76.3 166.2 45.2 -23.2 -18.0 115 117 A D H > S+ 0 0 93 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.910 122.8 55.5 -62.3 -37.4 44.8 -27.0 -17.8 116 118 A A H > S+ 0 0 67 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.912 108.8 46.0 -58.7 -47.1 48.7 -27.1 -17.6 117 119 A Q H >>S+ 0 0 6 2,-0.2 4,-2.9 1,-0.2 5,-0.6 0.893 112.1 50.6 -63.0 -43.6 48.7 -24.8 -14.6 118 120 A K H X5S+ 0 0 31 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.918 113.1 46.4 -62.0 -42.5 45.9 -26.7 -12.8 119 121 A E H <5S+ 0 0 116 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.832 118.2 42.4 -68.2 -34.4 47.7 -30.0 -13.4 120 122 A K H <5S+ 0 0 82 -4,-1.9 4,-0.4 -5,-0.2 -2,-0.2 0.947 125.5 25.2 -77.5 -51.9 51.1 -28.6 -12.2 121 123 A Y H X5S+ 0 0 2 -4,-2.9 4,-2.3 -5,-0.1 3,-0.4 0.876 108.7 63.0 -88.9 -40.4 50.2 -26.5 -9.1 122 124 A L H X S+ 0 0 38 0, 0.0 4,-0.9 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57 B E H X S+ 0 0 44 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.950 113.7 43.8 -60.9 -49.8 -12.9 -13.5 10.0 444 58 B M H X>S+ 0 0 1 -4,-2.7 5,-2.5 1,-0.2 4,-1.6 0.917 114.0 51.0 -62.2 -44.2 -9.7 -15.2 11.2 445 59 B G H <5S+ 0 0 11 -4,-2.6 -1,-0.2 70,-0.3 -2,-0.2 0.868 105.5 54.8 -62.1 -39.5 -11.6 -18.4 12.2 446 60 B E H <5S+ 0 0 89 -4,-2.1 -1,-0.2 69,-0.3 -2,-0.2 0.841 110.6 45.9 -64.6 -34.2 -13.3 -18.7 8.8 447 61 B I H <5S- 0 0 79 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.784 118.5-113.6 -76.7 -29.9 -9.9 -18.6 7.0 448 62 B G T <5S+ 0 0 18 -4,-1.6 -3,-0.2 66,-0.2 -2,-0.1 0.710 76.3 129.6 100.7 29.9 -8.5 -21.1 9.5 449 63 B L < + 0 0 5 -5,-2.5 2,-0.4 -6,-0.1 -4,-0.2 0.532 47.6 89.7 -91.5 -7.2 -5.9 -18.9 11.3 450 64 B L S S- 0 0 1 64,-0.4 4,-0.1 -6,-0.4 37,-0.1 -0.789 101.6 -1.3 -98.8 134.8 -7.1 -19.7 14.8 451 65 B G S > S- 0 0 1 -2,-0.4 3,-2.0 35,-0.3 11,-0.4 0.954 74.0-176.6 53.2 53.7 -5.5 -22.6 16.7 452 66 B P T 3 S+ 0 0 2 0, 0.0 11,-3.5 0, 0.0 -2,-0.1 0.804 79.1 49.2 -50.1 -35.0 -3.3 -23.5 13.7 453 67 B T T 3 S+ 0 0 38 9,-0.2 12,-0.1 8,-0.1 -2,-0.1 0.554 86.1 106.8 -85.9 -6.8 -1.8 -26.6 15.5 454 68 B I S < S- 0 0 1 -3,-2.0 8,-2.2 1,-0.1 9,-0.3 -0.562 75.9-111.2 -74.8 129.6 -5.3 -27.9 16.5 455 69 B P > > - 0 0 31 0, 0.0 5,-1.9 0, 0.0 3,-1.7 -0.129 20.9-110.9 -58.3 156.1 -6.4 -31.1 14.5 456 70 B E G > 5S+ 0 0 170 1,-0.3 3,-2.2 3,-0.2 -2,-0.1 0.819 112.6 70.0 -55.6 -36.7 -9.3 -31.1 12.0 457 71 B Q G 3 5S+ 0 0 146 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.760 106.0 39.2 -55.5 -27.9 -11.3 -33.3 14.4 458 72 B Y G < 5S- 0 0 27 -3,-1.7 56,-0.3 52,-0.1 -1,-0.3 0.106 129.6 -90.3-110.2 18.8 -11.7 -30.3 16.7 459 73 B G T < 5S+ 0 0 45 -3,-2.2 -3,-0.2 1,-0.3 -2,-0.1 0.375 85.7 125.9 93.0 -2.7 -12.2 -27.7 14.0 460 74 B G S - 0 0 45 -2,-0.1 4,-2.0 -10,-0.0 5,-0.1 -0.653 33.9 -83.9-135.5-177.5 2.2 -27.0 12.5 465 79 B Y H > S+ 0 0 49 229,-0.3 4,-2.4 2,-0.2 5,-0.2 0.849 121.9 55.6 -66.2 -37.1 4.5 -24.6 14.4 466 80 B V H > S+ 0 0 0 228,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.938 110.1 48.2 -60.2 -44.5 6.1 -23.1 11.3 467 81 B S H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.898 108.8 52.7 -59.9 -45.6 2.7 -22.3 9.9 468 82 B Y H X S+ 0 0 3 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.930 110.4 49.2 -53.9 -47.7 1.6 -20.7 13.2 469 83 B G H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.915 107.9 52.4 -60.9 -45.2 4.7 -18.5 13.1 470 84 B L H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.888 110.9 48.7 -59.6 -39.0 4.1 -17.4 9.5 471 85 B I H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.944 110.1 49.7 -64.6 -50.7 0.6 -16.3 10.5 472 86 B A H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.908 109.8 52.6 -54.7 -45.9 1.7 -14.4 13.5 473 87 B R H X S+ 0 0 20 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.903 110.4 46.8 -59.2 -43.5 4.3 -12.6 11.4 474 88 B E H X S+ 0 0 4 -4,-1.9 4,-0.6 2,-0.2 -1,-0.2 0.856 114.8 46.8 -69.7 -34.8 1.7 -11.5 8.8 475 89 B V H >X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 3,-1.1 0.931 113.3 46.8 -71.6 -44.7 -0.8 -10.3 11.4 476 90 B E H 3< S+ 0 0 0 -4,-2.8 4,-0.2 1,-0.3 -2,-0.2 0.779 96.2 73.4 -73.2 -22.7 1.8 -8.4 13.5 477 91 B R H 3< S+ 0 0 30 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.845 110.5 33.6 -53.3 -34.6 3.2 -6.8 10.2 478 92 B V H << S- 0 0 8 -3,-1.1 2,-0.3 -4,-0.6 -2,-0.2 0.931 140.2 -22.2 -81.8 -60.8 -0.1 -4.8 10.5 479 93 B D X - 0 0 0 -4,-2.2 4,-1.7 1,-0.1 3,-0.4 -0.934 38.5-141.4-160.2 134.7 -0.4 -4.6 14.3 480 94 B S H > S+ 0 0 0 -2,-0.3 4,-2.7 -4,-0.2 5,-0.1 0.759 103.3 63.7 -58.4 -31.6 0.8 -6.3 17.5 481 95 B G H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.913 104.6 45.7 -62.2 -44.2 -2.7 -5.7 19.1 482 96 B Y H > S+ 0 0 3 -3,-0.4 4,-1.6 2,-0.2 -2,-0.2 0.892 112.7 50.1 -65.0 -41.3 -4.2 -8.0 16.5 483 97 B R H X S+ 0 0 8 -4,-1.7 4,-3.0 1,-0.2 -2,-0.2 0.916 107.0 56.0 -62.3 -40.0 -1.5 -10.5 16.9 484 98 B S H X S+ 0 0 10 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.909 103.7 53.6 -60.0 -41.8 -2.1 -10.4 20.6 485 99 B M H X S+ 0 0 1 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.908 113.7 42.7 -57.4 -45.0 -5.8 -11.3 20.2 486 100 B M H X S+ 0 0 0 -4,-1.6 4,-3.1 2,-0.2 5,-0.4 0.868 108.5 58.0 -69.8 -41.8 -4.8 -14.3 18.2 487 101 B S H X>S+ 0 0 5 -4,-3.0 4,-1.9 2,-0.2 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4,-2.7 1,-0.2 5,-0.1 0.755 104.1 64.2 -61.6 -27.4 49.3 3.8 31.6 864 95 C G H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.913 103.3 45.8 -65.4 -43.4 52.2 1.7 32.9 865 96 C Y H > S+ 0 0 1 -3,-0.5 4,-1.7 2,-0.2 -2,-0.2 0.880 112.6 50.9 -64.2 -40.1 54.2 4.9 33.8 866 97 C R H X S+ 0 0 8 -4,-1.6 4,-2.9 1,-0.2 -2,-0.2 0.918 107.4 54.6 -63.2 -42.5 51.1 6.4 35.4 867 98 C S H X S+ 0 0 14 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.907 105.6 51.8 -57.2 -43.6 50.6 3.1 37.4 868 99 C M H X S+ 0 0 1 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.910 113.4 44.6 -61.3 -40.8 54.1 3.4 38.8 869 100 C M H X S+ 0 0 0 -4,-1.7 4,-3.0 2,-0.2 5,-0.3 0.889 109.5 55.9 -69.8 -41.7 53.5 6.9 39.9 870 101 C S H X>S+ 0 0 5 -4,-2.9 4,-1.6 2,-0.2 5,-1.3 0.905 109.0 47.8 -53.9 -46.1 50.0 6.0 41.3 871 102 C V H X>S+ 0 0 9 -4,-2.4 4,-0.8 3,-0.2 5,-0.8 0.962 113.9 46.0 -62.3 -50.9 51.6 3.4 43.5 872 103 C Q H <>S+ 0 0 0 -4,-1.9 5,-2.0 -5,-0.2 4,-0.3 0.913 125.0 30.4 -58.3 -46.9 54.3 5.8 44.8 873 104 C S H <>S+ 0 0 3 -4,-3.0 5,-1.8 3,-0.2 -3,-0.2 0.983 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5S- 0 0 77 -4,-0.3 -1,-0.2 -5,-0.1 -2,-0.1 0.604 113.9-113.0-104.9 -25.4 40.3 -4.8 40.3 1141 375 C G T 5 + 0 0 35 -5,-0.2 4,-0.3 -4,-0.2 -3,-0.2 0.880 69.7 141.2 95.3 56.7 37.3 -5.9 38.1 1142 376 C T >< + 0 0 10 -5,-0.8 4,-2.9 2,-0.2 5,-0.3 0.493 25.4 92.7-124.7 -11.2 35.4 -2.8 38.8 1143 377 C H H > S+ 0 0 50 -6,-0.6 4,-1.6 1,-0.2 -1,-0.1 0.962 105.7 39.5 -53.4 -46.8 33.3 -1.1 36.0 1144 378 C D H > S+ 0 0 41 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.905 113.8 53.7 -68.5 -40.3 30.3 -3.2 37.3 1145 379 C I H > S+ 0 0 30 -4,-0.3 4,-1.9 1,-0.2 -2,-0.2 0.890 106.7 52.0 -63.9 -39.5 31.2 -2.8 41.0 1146 380 C H H X S+ 0 0 2 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.898 106.6 54.5 -63.6 -39.0 31.2 1.0 40.7 1147 381 C A H X S+ 0 0 0 -4,-1.6 4,-2.4 -5,-0.3 -1,-0.2 0.890 108.8 48.3 -56.0 -42.4 27.8 0.8 39.1 1148 382 C L H X S+ 0 0 5 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.803 106.6 56.3 -75.0 -27.9 26.5 -1.1 42.1 1149 383 C I H X S+ 0 0 33 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.939 112.6 42.4 -61.1 -45.2 28.1 1.4 44.5 1150 384 C L H 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-12,-0.1 -1,-0.1 1,-0.1 -11,-0.0 0.853 360.0 360.0 -72.0 -38.7 26.5 -7.0 45.4 1161 395 C F 0 0 138 -885,-0.0 -1,-0.1 -879,-0.0 -2,-0.1 0.289 360.0 360.0-155.4 360.0 25.6 -10.4 47.0 1162 !* 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 1163 3 D A 0 0 156 0, 0.0 2,-0.3 0, 0.0 -74,-0.1 0.000 360.0 360.0 360.0 -41.4 32.6 14.2 56.5 1164 4 D A - 0 0 35 -76,-0.3 2,-0.3 1,-0.0 -74,-0.2 -0.573 360.0-135.3 -78.9 136.8 31.2 15.1 53.0 1165 5 D T - 0 0 105 -2,-0.3 2,-0.4 -76,-0.1 -76,-0.3 -0.723 15.0-128.3 -90.7 137.6 27.6 14.0 52.3 1166 6 D F - 0 0 32 -2,-0.3 2,-0.7 -78,-0.1 3,-0.1 -0.707 12.2-156.1 -85.3 133.9 26.7 12.5 48.9 1167 7 D H > - 0 0 84 -2,-0.4 3,-1.6 4,-0.2 6,-0.2 -0.896 5.7-169.8-108.8 98.8 23.8 14.0 47.0 1168 8 D W T 3 S+ 0 0 61 -2,-0.7 -1,-0.1 1,-0.3 -14,-0.1 0.809 87.1 49.1 -61.0 -31.2 22.5 11.3 44.7 1169 9 D D T 3 S+ 0 0 79 1,-0.2 -1,-0.3 -3,-0.1 258,-0.0 0.535 129.5 20.3 -85.9 -7.4 20.3 13.7 42.8 1170 10 D D S X S+ 0 0 34 -3,-1.6 3,-2.1 1,-0.0 -1,-0.2 -0.418 70.8 171.9-156.8 65.8 23.1 16.3 42.4 1171 11 D P T 3 S+ 0 0 3 0, 0.0 -82,-0.2 0, 0.0 -4,-0.2 0.810 81.3 42.2 -58.4 -35.2 26.4 14.5 42.8 1172 12 D L T 3 S- 0 0 1 -84,-0.1 -84,-0.0 -80,-0.0 5,-0.0 0.230 110.5-118.4 -97.0 13.5 28.6 17.4 41.7 1173 13 D L X> + 0 0 16 -3,-2.1 3,-1.1 -6,-0.2 4,-0.6 0.923 41.5 176.0 52.5 54.1 26.5 20.0 43.6 1174 14 D L H >> S+ 0 0 4 1,-0.3 3,-1.8 2,-0.2 4,-0.6 0.901 77.5 66.9 -50.0 -41.1 25.4 22.1 40.6 1175 15 D D H >4 S+ 0 0 57 1,-0.3 3,-0.9 2,-0.2 -1,-0.3 0.869 100.1 48.3 -48.2 -41.7 23.4 24.0 43.1 1176 16 D Q H <4 S+ 0 0 112 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.586 103.6 61.2 -80.3 -11.2 26.7 25.3 44.7 1177 17 D Q H << S+ 0 0 44 -3,-1.8 2,-0.3 -4,-0.6 -1,-0.2 0.469 91.3 88.2 -89.4 -5.6 28.1 26.2 41.2 1178 18 D L S << S- 0 0 7 -3,-0.9 2,-0.1 -4,-0.6 0, 0.0 -0.697 80.5-117.8 -94.5 146.1 25.3 28.8 40.7 1179 19 D A > - 0 0 40 -2,-0.3 4,-2.2 1,-0.1 3,-0.5 -0.422 33.9-107.2 -69.5 155.9 25.3 32.4 41.7 1180 20 D D H > S+ 0 0 122 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.868 121.0 50.6 -55.3 -38.5 22.5 33.4 44.2 1181 21 D D H > S+ 0 0 98 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.812 108.8 51.7 -73.2 -29.4 20.6 35.3 41.5 1182 22 D E H > S+ 0 0 7 -3,-0.5 4,-2.6 2,-0.2 -2,-0.2 0.871 108.3 51.6 -70.7 -39.7 20.7 32.3 39.2 1183 23 D R H X S+ 0 0 58 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.882 108.7 52.0 -61.9 -37.7 19.4 30.1 42.0 1184 24 D M H X S+ 0 0 137 -4,-1.7 4,-2.0 -5,-0.2 -2,-0.2 0.896 109.7 48.0 -67.8 -40.5 16.5 32.6 42.4 1185 25 D V H X S+ 0 0 27 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.937 112.3 49.5 -62.4 -48.8 15.7 32.4 38.7 1186 26 D R H X S+ 0 0 42 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.931 111.5 48.9 -55.2 -47.0 15.7 28.6 38.8 1187 27 D D H X S+ 0 0 83 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.859 110.7 49.9 -65.6 -36.0 13.5 28.6 41.9 1188 28 D A H X S+ 0 0 51 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.898 112.6 46.7 -66.5 -42.9 11.0 31.0 40.3 1189 29 D A H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.889 113.4 49.9 -65.6 -40.4 10.8 28.9 37.1 1190 30 D H H X S+ 0 0 81 -4,-2.6 4,-2.8 -5,-0.2 5,-0.4 0.921 109.4 51.0 -62.4 -46.8 10.4 25.8 39.2 1191 31 D A H X S+ 0 0 65 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.897 115.1 43.2 -57.3 -43.7 7.6 27.3 41.3 1192 32 D Y H X>S+ 0 0 17 -4,-2.0 4,-3.0 2,-0.2 5,-0.9 0.953 115.8 46.3 -68.9 -49.4 5.8 28.3 38.1 1193 33 D A H X>S+ 0 0 0 -4,-2.9 5,-2.6 1,-0.2 4,-1.3 0.943 119.8 39.2 -61.7 -48.3 6.3 25.1 36.2 1194 34 D Q H <5S+ 0 0 81 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.880 122.9 42.1 -70.7 -37.5 5.3 22.8 39.1 1195 35 D G H <5S+ 0 0 44 -4,-1.8 -2,-0.2 -5,-0.4 -1,-0.2 0.800 132.2 15.5 -79.3 -30.6 2.5 25.1 40.3 1196 36 D K H <5S+ 0 0 102 -4,-3.0 -3,-0.2 -5,-0.2 4,-0.2 0.681 129.8 37.8-120.3 -29.2 0.9 26.1 36.9 1197 37 D L T >X S+ 0 0 54 -3,-1.1 4,-2.3 -4,-0.2 3,-0.3 0.755 93.6 80.3 -89.3 -29.3 -2.4 21.1 33.2 1201 41 D V H X S+ 0 0 6 -4,-1.7 4,-2.8 1,-0.2 5,-0.3 0.804 85.0 53.3 -64.5 -41.1 -0.0 18.7 31.4 1202 42 D T H X S+ 0 0 79 -4,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.935 118.2 36.0 -62.4 -48.0 -1.8 15.3 31.6 1203 43 D E H > S+ 0 0 56 -3,-0.3 4,-2.4 -4,-0.3 -1,-0.2 0.863 116.3 54.9 -72.3 -36.2 -5.1 16.6 30.1 1204 44 D A H X>S+ 0 0 9 -4,-2.3 5,-1.7 2,-0.2 4,-0.8 0.918 113.1 42.5 -62.6 -43.9 -3.4 19.0 27.7 1205 45 D F H <5S+ 0 0 34 -4,-2.8 3,-0.3 -5,-0.2 -2,-0.2 0.936 114.4 50.0 -67.6 -47.4 -1.3 16.2 26.3 1206 46 D R H <5S+ 0 0 158 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.925 123.2 29.9 -58.4 -47.7 -4.2 13.7 26.1 1207 47 D H H <5S- 0 0 125 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.394 104.7-123.0 -99.4 3.7 -6.6 16.0 24.3 1208 48 D E T <5 + 0 0 40 -4,-0.8 2,-0.4 -3,-0.3 -3,-0.2 0.960 58.5 147.8 56.2 56.5 -4.0 18.1 22.4 1209 49 D T < - 0 0 82 -5,-1.7 2,-0.5 -6,-0.2 -1,-0.2 -0.976 32.7-161.0-124.9 138.4 -5.1 21.4 23.8 1210 50 D T - 0 0 34 -2,-0.4 2,-0.9 166,-0.1 166,-0.1 -0.981 13.8-142.6-119.1 127.3 -2.9 24.5 24.5 1211 51 D D > - 0 0 75 -2,-0.5 3,-2.4 164,-0.2 4,-0.2 -0.801 7.4-158.9 -87.8 104.9 -4.0 27.3 26.9 1212 52 D A T >> S+ 0 0 39 -2,-0.9 3,-1.4 1,-0.3 4,-0.6 0.689 84.6 79.3 -58.7 -20.0 -2.7 30.5 25.2 1213 53 D A H 3> S+ 0 0 41 1,-0.2 4,-1.9 2,-0.2 3,-0.3 0.747 75.5 77.3 -56.2 -25.2 -3.0 32.2 28.7 1214 54 D I H <> S+ 0 0 1 -3,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.860 86.6 58.0 -56.2 -37.0 0.3 30.4 29.5 1215 55 D F H <> S+ 0 0 0 -3,-1.4 4,-2.4 -4,-0.2 -1,-0.2 0.930 107.5 45.9 -61.9 -43.3 2.2 33.0 27.4 1216 56 D R H X S+ 0 0 96 -4,-0.6 4,-2.1 -3,-0.3 -1,-0.2 0.839 112.1 52.4 -66.3 -35.6 0.9 35.8 29.6 1217 57 D E H X S+ 0 0 44 -4,-1.9 4,-1.0 2,-0.2 -2,-0.2 0.934 113.0 43.2 -64.2 -48.5 1.7 33.9 32.7 1218 58 D M H <>S+ 0 0 0 -4,-2.8 5,-2.7 1,-0.2 6,-0.4 0.881 113.4 52.5 -64.4 -39.2 5.3 33.3 31.6 1219 59 D G H ><5S+ 0 0 11 -4,-2.4 3,-1.3 70,-0.3 -2,-0.2 0.907 102.2 59.2 -65.1 -42.5 5.6 36.9 30.5 1220 60 D E H 3<5S+ 0 0 130 -4,-2.1 -1,-0.2 69,-0.3 -2,-0.2 0.819 111.3 40.3 -54.1 -37.2 4.4 38.3 33.8 1221 61 D I T 3<5S- 0 0 86 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.339 120.4-106.5-100.9 6.5 7.3 36.6 35.7 1222 62 D G T < 5S+ 0 0 18 -3,-1.3 -3,-0.2 -4,-0.3 -2,-0.1 0.827 78.7 128.9 80.5 35.3 9.9 37.3 33.0 1223 63 D L < + 0 0 7 -5,-2.7 2,-0.5 65,-0.1 -4,-0.2 0.529 49.6 88.3 -96.3 -9.9 10.4 33.9 31.4 1224 64 D L S S- 0 0 0 -6,-0.4 37,-0.1 64,-0.4 36,-0.0 -0.815 105.6 -3.7 -95.2 127.9 9.9 35.0 27.8 1225 65 D G S > S- 0 0 1 -2,-0.5 3,-1.7 35,-0.3 11,-0.4 0.959 75.0-174.9 57.4 58.5 13.0 36.2 26.0 1226 66 D P T 3 S+ 0 0 1 0, 0.0 11,-3.1 0, 0.0 -2,-0.1 0.802 79.9 45.4 -55.9 -34.2 15.3 35.8 29.1 1227 67 D T T 3 S+ 0 0 34 9,-0.2 12,-0.1 8,-0.1 -2,-0.1 0.549 87.5 108.8 -86.8 -7.9 18.4 37.3 27.4 1228 68 D I S < S- 0 0 2 -3,-1.7 8,-2.1 1,-0.1 9,-0.2 -0.518 77.1-107.8 -74.0 130.9 16.4 40.3 25.9 1229 69 D P > > - 0 0 42 0, 0.0 5,-1.7 0, 0.0 3,-1.6 -0.125 18.3-116.4 -60.2 155.1 17.3 43.6 27.6 1230 70 D E G > 5S+ 0 0 153 1,-0.3 3,-2.0 3,-0.2 -2,-0.1 0.769 109.2 75.1 -60.8 -29.8 14.9 45.5 29.9 1231 71 D Q G 3 5S+ 0 0 149 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.820 103.9 38.3 -48.9 -35.0 14.8 48.4 27.5 1232 72 D Y G < 5S- 0 0 19 -3,-1.6 56,-0.3 52,-0.1 -1,-0.3 0.122 129.4 -90.3-108.8 19.8 12.6 46.2 25.3 1233 73 D G T < 5S+ 0 0 45 -3,-2.0 -3,-0.2 1,-0.3 -2,-0.1 0.322 87.0 127.3 90.7 -8.1 10.5 44.6 28.1 1234 74 D G S - 0 0 47 -2,-0.1 4,-2.0 1,-0.0 5,-0.1 -0.488 34.0 -90.2-109.5-178.2 22.1 35.8 30.9 1239 79 D Y H > S+ 0 0 54 232,-0.3 4,-2.5 2,-0.2 5,-0.2 0.848 122.2 55.6 -66.4 -36.4 22.5 32.5 29.2 1240 80 D V H > S+ 0 0 0 231,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.942 109.8 48.3 -62.3 -43.6 22.9 30.4 32.3 1241 81 D S H > S+ 0 0 4 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.898 109.2 52.6 -57.8 -44.7 19.6 31.8 33.5 1242 82 D Y H X S+ 0 0 6 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.935 111.1 48.9 -57.0 -46.5 18.0 31.0 30.1 1243 83 D G H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.919 108.4 51.3 -59.1 -48.6 19.2 27.5 30.5 1244 84 D L H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.873 110.8 49.9 -59.1 -37.9 18.0 27.0 34.1 1245 85 D I H X S+ 0 0 1 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.939 109.2 50.0 -65.9 -49.2 14.5 28.2 33.0 1246 86 D A H X S+ 0 0 1 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.898 110.4 51.7 -54.7 -44.4 14.3 25.8 30.0 1247 87 D R H X S+ 0 0 21 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.902 109.9 47.8 -61.1 -44.7 15.3 22.9 32.3 1248 88 D E H X S+ 0 0 6 -4,-1.9 4,-0.5 2,-0.2 -1,-0.2 0.872 115.4 45.1 -67.3 -35.9 12.6 23.7 34.9 1249 89 D V H >X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 3,-1.4 0.951 113.7 47.7 -71.8 -48.5 9.9 24.0 32.2 1250 90 D E H 3< S+ 0 0 0 -4,-2.9 4,-0.2 1,-0.3 -2,-0.2 0.780 96.7 72.4 -66.4 -26.0 10.9 20.9 30.2 1251 91 D R H 3< S+ 0 0 33 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.844 109.7 35.0 -52.6 -33.7 11.1 18.9 33.6 1252 92 D V H << S- 0 0 8 -3,-1.4 2,-0.3 -4,-0.5 -2,-0.2 0.930 139.9 -25.2 -83.3 -58.2 7.3 19.3 33.3 1253 93 D D X - 0 0 0 -4,-2.2 4,-1.7 1,-0.1 3,-0.4 -0.918 38.4-139.1-163.1 136.5 6.9 19.0 29.5 1254 94 D S H > S+ 0 0 0 -2,-0.3 4,-2.7 -4,-0.2 5,-0.1 0.749 103.7 64.3 -61.1 -29.8 8.9 19.6 26.3 1255 95 D G H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.913 104.8 45.0 -61.5 -44.0 5.8 21.0 24.6 1256 96 D Y H > S+ 0 0 4 -3,-0.4 4,-1.7 2,-0.2 -2,-0.2 0.889 112.8 50.5 -66.5 -39.3 5.7 23.9 27.1 1257 97 D R H X S+ 0 0 7 -4,-1.7 4,-2.9 1,-0.2 -2,-0.2 0.914 106.9 55.8 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