==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 14-JUL-11 3SWO . COMPND 2 MOLECULE: GLUTARYL-COA DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM SMEGMATIS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 1546 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48037.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1194 77.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 156 10.1 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 . 12 0.8 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 . 61 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 179 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 688 44.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 48 3.1 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 0 4 0 2 8 0 6 0 0 12 4 0 0 4 0 0 0 0 0 0 0 0 4 0 0 3 5 RESIDUES PER ALPHA HELIX . 4 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 12 4 0 0 8 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 . 4 0 4 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 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 9 A K 0 0 167 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 118.5 22.4 21.0 55.4 2 10 A S + 0 0 98 1,-0.1 2,-0.3 1154,-0.1 1155,-0.2 0.783 360.0 23.4 -84.3 -28.2 26.1 21.3 54.5 3 11 A T - 0 0 53 1153,-0.1 2,-0.4 1154,-0.1 1152,-0.2 -0.976 59.0-158.2-142.9 153.0 27.3 17.7 55.2 4 12 A Y - 0 0 41 1150,-1.9 1153,-0.1 -2,-0.3 5,-0.0 -0.991 24.1-121.6-126.1 139.0 25.9 14.2 55.4 5 13 A A > - 0 0 25 -2,-0.4 4,-2.1 1,-0.1 3,-0.2 -0.396 44.6 -99.5 -65.2 157.3 27.2 11.1 57.2 6 14 A P H > S+ 0 0 1 0, 0.0 4,-1.2 0, 0.0 3,-0.2 0.899 123.5 37.4 -51.9 -51.2 27.8 8.3 54.7 7 15 A L H >>S+ 0 0 19 1,-0.2 5,-1.6 2,-0.2 4,-1.3 0.772 110.7 61.4 -75.6 -23.7 24.5 6.4 55.5 8 16 A E H 45S+ 0 0 100 -3,-0.2 -1,-0.2 2,-0.2 5,-0.0 0.849 100.1 56.3 -64.0 -35.3 22.6 9.7 55.9 9 17 A L H <5S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.925 112.2 40.6 -63.4 -42.7 23.4 10.4 52.3 10 18 A F H <5S- 0 0 1 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.720 105.0-137.9 -69.5 -26.3 21.8 7.1 51.3 11 19 A D T ><5 + 0 0 41 -4,-1.3 3,-0.6 -5,-0.1 -3,-0.2 0.951 41.7 161.5 60.7 54.9 19.0 7.8 53.8 12 20 A T G > < + 0 0 7 -5,-1.6 3,-2.0 1,-0.2 4,-0.2 0.778 62.3 74.6 -72.4 -23.4 18.9 4.2 55.1 13 21 A D G > S+ 0 0 89 1,-0.3 3,-1.8 -6,-0.3 -1,-0.2 0.800 83.2 68.2 -58.9 -28.9 17.1 5.4 58.3 14 22 A R G < S+ 0 0 82 -3,-0.6 -1,-0.3 1,-0.3 -2,-0.2 0.712 94.8 57.8 -63.1 -17.9 13.9 5.8 56.2 15 23 A L G < S+ 0 0 60 -3,-2.0 2,-0.3 -4,-0.2 -1,-0.3 0.456 99.5 71.3 -87.1 -3.4 13.9 2.0 55.8 16 24 A L S < S- 0 0 14 -3,-1.8 2,-0.1 -4,-0.2 288,-0.0 -0.876 76.5-129.5-117.2 144.6 13.7 1.4 59.6 17 25 A D > - 0 0 79 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.277 34.8 -98.4 -86.0 175.3 10.9 2.0 62.0 18 26 A Q H > S+ 0 0 103 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.907 122.1 52.4 -62.4 -40.6 11.2 4.0 65.3 19 27 A D H > S+ 0 0 120 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.917 111.1 47.9 -62.2 -40.8 11.6 0.9 67.5 20 28 A E H > S+ 0 0 3 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.934 112.9 47.6 -65.1 -46.2 14.4 -0.4 65.2 21 29 A R H X S+ 0 0 70 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.874 109.7 54.3 -64.0 -35.1 16.2 3.0 65.2 22 30 A D H X S+ 0 0 74 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.903 107.2 50.6 -66.1 -38.6 15.8 3.2 69.0 23 31 A I H X S+ 0 0 44 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.939 110.1 49.5 -62.9 -47.9 17.5 -0.2 69.4 24 32 A A H X S+ 0 0 14 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.934 113.2 46.9 -55.1 -47.5 20.4 0.9 67.3 25 33 A A H X S+ 0 0 60 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.901 111.2 51.8 -65.5 -37.7 20.7 4.1 69.3 26 34 A T H X S+ 0 0 82 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.934 113.4 43.0 -64.5 -45.1 20.5 2.2 72.6 27 35 A V H X S+ 0 0 5 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.926 112.4 53.8 -70.4 -39.4 23.3 -0.2 71.7 28 36 A R H X S+ 0 0 90 -4,-2.7 4,-2.8 -5,-0.3 -1,-0.2 0.910 109.1 48.7 -60.3 -39.7 25.4 2.6 70.2 29 37 A Q H X S+ 0 0 113 -4,-2.3 4,-2.3 2,-0.2 5,-0.3 0.907 111.3 50.2 -70.8 -37.2 25.2 4.5 73.5 30 38 A F H X>S+ 0 0 33 -4,-2.0 4,-2.9 2,-0.2 5,-1.0 0.927 112.5 47.0 -59.5 -48.2 26.1 1.4 75.5 31 39 A V H X>S+ 0 0 4 -4,-2.9 5,-3.0 1,-0.2 4,-1.1 0.951 114.2 48.3 -59.7 -48.1 29.1 0.8 73.2 32 40 A D H <5S+ 0 0 75 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.872 122.0 31.8 -61.4 -41.1 30.2 4.4 73.4 33 41 A T H <5S+ 0 0 85 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.863 131.2 25.6 -90.1 -39.7 30.0 4.7 77.2 34 42 A R H <5S+ 0 0 57 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.1 0.819 129.3 26.7 -96.2 -36.6 30.8 1.2 78.5 35 43 A L T >X> S+ 0 0 60 -3,-1.9 4,-2.3 -4,-0.1 -2,-0.2 0.481 90.9 91.7-111.0 -12.4 38.3 0.1 77.5 39 47 A V H S+ 0 0 22 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.906 113.0 51.8 -64.0 -39.5 43.6 -1.8 76.5 42 50 A W H X>S+ 0 0 27 -4,-2.3 5,-2.4 2,-0.2 4,-0.8 0.924 112.6 45.6 -64.6 -40.1 41.5 -5.0 76.0 43 51 A F H ><5S+ 0 0 2 -4,-2.6 3,-0.7 3,-0.2 -2,-0.2 0.963 114.3 46.8 -69.0 -48.9 43.0 -5.4 72.5 44 52 A E H 3<5S+ 0 0 48 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.903 119.2 40.4 -57.1 -45.1 46.6 -4.7 73.5 45 53 A S H 3<5S- 0 0 67 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.539 108.4-126.2 -80.9 -8.2 46.4 -7.1 76.5 46 54 A A T <<5 + 0 0 26 -4,-0.8 2,-0.3 -3,-0.7 -3,-0.2 0.938 64.2 128.4 56.8 54.7 44.3 -9.7 74.5 47 55 A T < - 0 0 62 -5,-2.4 -1,-0.2 -6,-0.1 -2,-0.1 -0.964 41.0-174.9-134.1 150.2 41.5 -9.9 77.0 48 56 A L - 0 0 14 -2,-0.3 165,-0.1 163,-0.1 -9,-0.0 -0.856 38.9-123.5-139.4 104.9 37.6 -9.6 76.9 49 57 A P > - 0 0 33 0, 0.0 3,-1.7 0, 0.0 4,-0.2 -0.171 4.3-136.1 -58.3 137.0 36.4 -9.7 80.5 50 58 A S T > S+ 0 0 70 1,-0.3 3,-2.4 2,-0.2 4,-0.4 0.800 98.8 76.1 -64.6 -26.9 33.8 -12.4 81.3 51 59 A E T 3> S+ 0 0 121 1,-0.3 4,-1.5 2,-0.2 3,-0.4 0.712 79.2 73.9 -51.7 -26.2 31.8 -9.8 83.3 52 60 A L H <> S+ 0 0 1 -3,-1.7 4,-3.1 1,-0.2 5,-0.3 0.799 81.1 70.3 -62.3 -27.1 30.7 -8.5 79.9 53 61 A A H <> S+ 0 0 3 -3,-2.4 4,-2.2 -4,-0.2 -1,-0.2 0.943 102.8 42.1 -52.4 -50.0 28.4 -11.6 79.6 54 62 A K H > S+ 0 0 80 -3,-0.4 4,-2.7 -4,-0.4 -1,-0.2 0.884 113.5 52.9 -66.5 -36.1 26.1 -10.2 82.3 55 63 A E H X S+ 0 0 47 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.927 111.6 45.3 -64.1 -45.6 26.3 -6.7 80.9 56 64 A F H X>S+ 0 0 0 -4,-3.1 5,-1.5 2,-0.2 4,-1.3 0.882 112.7 52.9 -63.6 -39.3 25.3 -7.9 77.4 57 65 A G H ><5S+ 0 0 11 -4,-2.2 3,-0.5 -5,-0.3 -2,-0.2 0.940 109.6 46.6 -60.4 -46.9 22.5 -10.0 79.1 58 66 A N H 3<5S+ 0 0 121 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.857 107.3 58.6 -63.7 -35.4 21.1 -7.0 80.9 59 67 A L H 3<5S- 0 0 47 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.790 113.2-123.1 -61.3 -32.6 21.3 -5.0 77.7 60 68 A G T <<5S+ 0 0 25 -4,-1.3 12,-0.4 -3,-0.5 -3,-0.2 0.488 77.8 116.1 106.4 4.4 19.0 -7.6 76.2 61 69 A V > < + 0 0 4 -5,-1.5 3,-1.2 2,-0.1 2,-0.7 0.588 43.4 98.0 -86.6 -11.4 21.2 -8.7 73.2 62 70 A L T 3 S- 0 0 2 -6,-0.5 10,-0.2 63,-0.4 36,-0.1 -0.680 112.1 -11.8 -86.5 111.9 21.8 -12.4 74.1 63 71 A G T > S+ 0 0 4 -2,-0.7 3,-1.7 34,-0.3 10,-0.5 0.785 89.6 159.4 69.9 28.5 19.3 -14.5 72.2 64 72 A M T < + 0 0 9 -3,-1.2 10,-2.6 1,-0.3 9,-0.4 0.767 68.1 47.2 -60.9 -32.4 17.5 -11.2 71.3 65 73 A H T 3 S+ 0 0 56 8,-0.2 -1,-0.3 -4,-0.2 2,-0.1 0.563 97.1 92.3 -85.4 -10.0 15.6 -12.7 68.3 66 74 A L S < S- 0 0 16 -3,-1.7 7,-1.3 9,-0.1 2,-0.4 -0.357 73.0-127.6 -80.2 161.2 14.5 -15.8 70.2 67 75 A Q + 0 0 121 6,-0.1 5,-0.1 5,-0.1 -2,-0.1 -0.902 63.4 3.9-112.4 140.0 11.2 -16.0 72.1 68 76 A G S > S+ 0 0 41 3,-0.4 3,-2.4 -2,-0.4 5,-0.1 -0.209 84.4 83.2 84.3 178.6 10.7 -17.1 75.7 69 77 A Y T 3 S- 0 0 63 1,-0.3 56,-0.2 3,-0.1 3,-0.1 0.693 126.7 -59.0 60.0 23.2 13.3 -17.9 78.3 70 78 A G T 3 S+ 0 0 77 1,-0.3 -1,-0.3 55,-0.1 2,-0.1 0.525 99.0 146.2 79.9 7.6 13.7 -14.2 79.2 71 79 A C < - 0 0 19 -3,-2.4 -3,-0.4 1,-0.1 -1,-0.3 -0.431 58.3-120.2 -74.9 153.2 14.8 -13.5 75.6 72 80 A A - 0 0 61 -12,-0.4 -8,-0.1 -10,-0.2 -7,-0.1 0.757 28.5-145.0 -67.1 -28.2 13.9 -10.1 74.1 73 81 A G + 0 0 24 -7,-1.3 -8,-0.2 -10,-0.5 -6,-0.1 0.844 38.8 159.4 62.0 38.1 11.8 -11.5 71.2 74 82 A T - 0 0 28 -10,-2.6 -1,-0.2 -8,-0.2 -2,-0.0 -0.376 43.9 -97.2 -79.2 167.1 12.8 -8.8 68.7 75 83 A N > - 0 0 51 -2,-0.1 4,-1.4 1,-0.1 -1,-0.2 -0.161 37.4-103.9 -71.1 173.8 12.6 -9.1 64.9 76 84 A A H > S+ 0 0 0 231,-0.2 4,-2.5 2,-0.2 5,-0.2 0.884 118.4 58.8 -72.8 -39.0 15.7 -10.1 62.8 77 85 A V H > S+ 0 0 0 230,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.940 105.8 50.5 -57.0 -39.4 16.3 -6.6 61.6 78 86 A S H > S+ 0 0 6 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.894 108.5 50.8 -66.4 -40.4 16.7 -5.4 65.2 79 87 A Y H X S+ 0 0 9 -4,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.922 110.5 51.7 -59.3 -46.0 19.2 -8.2 66.0 80 88 A G H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.940 108.8 48.6 -55.3 -47.7 21.1 -7.1 62.9 81 89 A L H X S+ 0 0 5 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.881 110.3 51.7 -62.9 -39.6 21.2 -3.5 64.0 82 90 A A H X S+ 0 0 1 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.924 110.4 48.7 -61.9 -43.4 22.4 -4.5 67.5 83 91 A C H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.914 109.1 54.0 -61.7 -43.7 25.2 -6.6 65.9 84 92 A M H X S+ 0 0 4 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.926 111.9 44.2 -55.6 -47.0 26.1 -3.6 63.7 85 93 A E H X S+ 0 0 10 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.902 112.3 51.1 -70.5 -37.2 26.5 -1.4 66.7 86 94 A L H >X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 3,-0.5 0.933 112.3 46.7 -63.0 -47.2 28.4 -4.0 68.7 87 95 A E H 3< S+ 0 0 0 -4,-2.6 4,-0.2 1,-0.3 -1,-0.2 0.821 100.8 64.7 -68.2 -31.3 30.9 -4.5 65.9 88 96 A A H 3< S+ 0 0 3 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.836 108.7 44.5 -56.5 -35.4 31.3 -0.7 65.4 89 97 A G H << S- 0 0 0 -4,-1.1 2,-0.3 -3,-0.5 -2,-0.3 0.977 141.0 -46.1 -62.1 -67.9 32.8 -1.0 68.9 90 98 A D >X - 0 0 0 -4,-2.3 3,-1.4 -5,-0.1 4,-1.4 -0.884 41.9-119.6-167.7 142.7 34.8 -4.1 68.1 91 99 A S H 3> S+ 0 0 0 1,-0.3 4,-2.9 -2,-0.3 5,-0.2 0.772 111.2 65.7 -59.2 -27.0 34.2 -7.4 66.3 92 100 A G H 3> S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.847 99.7 51.5 -64.2 -30.9 35.1 -9.2 69.6 93 101 A F H <> S+ 0 0 0 -3,-1.4 4,-1.5 -7,-0.3 -2,-0.2 0.943 114.1 42.4 -68.3 -48.7 31.9 -7.7 71.1 94 102 A R H X S+ 0 0 2 -4,-1.4 4,-3.0 -8,-0.2 -2,-0.2 0.912 111.1 56.4 -65.2 -39.1 29.8 -8.9 68.2 95 103 A S H X S+ 0 0 2 -4,-2.9 4,-2.3 1,-0.2 5,-0.3 0.897 104.4 53.2 -58.3 -41.9 31.5 -12.3 68.1 96 104 A F H X S+ 0 0 5 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.939 113.3 43.1 -57.8 -48.9 30.6 -12.9 71.8 97 105 A V H X>S+ 0 0 1 -4,-1.5 4,-2.7 2,-0.2 5,-0.5 0.896 110.5 55.1 -69.1 -41.0 27.0 -12.2 71.1 98 106 A S H <>S+ 0 0 3 -4,-3.0 5,-1.1 1,-0.2 4,-0.4 0.909 113.6 42.7 -53.1 -48.9 26.9 -14.3 67.8 99 107 A V H X>S+ 0 0 10 -4,-2.3 5,-3.2 -5,-0.2 4,-0.6 0.947 115.2 47.9 -66.4 -50.3 28.2 -17.3 69.7 100 108 A Q H <>S+ 0 0 0 -4,-2.5 5,-2.5 -5,-0.3 -2,-0.2 0.936 127.8 19.8 -59.9 -48.7 26.0 -16.9 72.7 101 109 A G T <>S+ 0 0 5 -4,-2.7 5,-2.3 3,-0.2 6,-0.2 0.962 129.6 33.6 -87.0 -67.7 22.7 -16.4 70.8 102 110 A S T 4 - 0 0 38 116,-0.2 4,-2.3 114,-0.2 5,-0.2 -0.469 37.6-104.1 -77.1 165.7 14.8 -31.2 74.6 114 122 A E H > S+ 0 0 120 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.886 123.3 55.7 -55.2 -42.1 12.5 -29.3 76.9 115 123 A E H > S+ 0 0 68 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.913 107.8 47.4 -60.4 -44.2 14.8 -30.2 79.8 116 124 A Q H > S+ 0 0 10 2,-0.2 4,-2.3 1,-0.2 5,-0.5 0.911 111.8 50.4 -65.9 -42.8 17.8 -28.7 78.0 117 125 A K H X S+ 0 0 40 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.934 113.5 44.6 -60.0 -47.5 16.0 -25.5 77.1 118 126 A N H < S+ 0 0 92 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.844 114.6 49.5 -67.1 -35.4 14.8 -25.1 80.7 119 127 A E H < S+ 0 0 115 -4,-2.0 4,-0.2 -5,-0.2 -2,-0.2 0.907 128.8 14.0 -69.4 -41.6 18.3 -25.9 82.2 120 128 A W H X S+ 0 0 19 -4,-2.3 4,-2.4 -5,-0.1 5,-0.2 0.771 106.1 71.6-109.5 -39.3 20.3 -23.5 79.9 121 129 A L H X S+ 0 0 1 -4,-2.0 4,-2.8 -5,-0.5 5,-0.2 0.909 97.3 49.8 -63.5 -41.8 18.3 -20.9 78.0 122 130 A P H > S+ 0 0 58 0, 0.0 4,-1.8 0, 0.0 6,-0.2 0.934 115.2 44.6 -61.4 -41.1 17.3 -18.6 80.8 123 131 A R H >>S+ 0 0 94 -4,-0.2 5,-2.0 2,-0.2 6,-1.3 0.881 113.9 49.6 -67.2 -38.8 20.9 -18.4 82.2 124 132 A L H ><5S+ 0 0 0 -4,-2.4 3,-0.6 4,-0.2 -1,-0.2 0.919 110.1 50.7 -66.2 -43.2 22.4 -17.9 78.7 125 133 A A H 3<5S+ 0 0 8 -4,-2.8 -63,-0.4 1,-0.2 -1,-0.2 0.866 114.1 45.0 -58.4 -37.3 19.9 -15.2 77.9 126 134 A A H 3<5S- 0 0 26 -4,-1.8 -1,-0.2 -5,-0.2 -69,-0.2 0.607 111.7-119.9 -80.9 -15.7 20.8 -13.4 81.1 127 135 A G T <<5S+ 0 0 7 -4,-0.8 -3,-0.2 -3,-0.6 -73,-0.2 0.656 81.0 122.5 75.1 19.6 24.5 -13.9 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137.3 41.9 5.4 65.7 352 360 A S T 3> S+ 0 0 7 -2,-0.4 4,-2.7 1,-0.2 5,-0.3 0.656 82.8 87.3 -63.5 -25.2 39.8 2.3 65.0 353 361 A P H 3> S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.859 90.4 44.2 -51.4 -48.1 40.6 1.4 61.3 354 362 A L H <> S+ 0 0 2 -3,-0.6 4,-2.5 -8,-0.3 5,-0.2 0.922 115.9 48.3 -67.7 -37.3 43.6 -0.8 61.7 355 363 A R H > S+ 0 0 5 -4,-0.5 4,-2.9 -7,-0.3 -146,-0.3 0.942 113.3 48.3 -61.8 -47.1 42.1 -2.7 64.6 356 364 A H H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.917 110.4 51.3 -59.3 -45.3 38.9 -3.1 62.6 357 365 A A H X S+ 0 0 4 -4,-2.9 4,-0.8 -5,-0.3 -1,-0.2 0.945 112.1 46.5 -59.8 -45.3 40.8 -4.3 59.6 358 366 A N H >X S+ 0 0 4 -4,-2.5 3,-1.0 1,-0.2 4,-0.7 0.933 113.0 48.9 -60.4 -47.4 42.7 -6.9 61.6 359 367 A N H >X S+ 0 0 0 -4,-2.9 4,-1.4 1,-0.2 3,-1.1 0.907 104.7 59.7 -58.6 -42.6 39.5 -8.1 63.3 360 368 A L H 3X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.3 -1,-0.2 0.685 88.8 73.1 -65.9 -17.2 37.8 -8.4 59.9 361 369 A E H - 0 0 16 1,-0.1 4,-2.2 4,-0.0 5,-0.2 -0.147 35.0-101.5 -64.8 163.2 35.2 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26.0 -23.2 42.5 380 388 A A H < S+ 0 0 11 -4,-1.9 398,-2.3 1,-0.2 -1,-0.2 0.825 113.4 43.4 -60.8 -35.9 22.7 -21.3 42.9 381 389 A L H < S+ 0 0 5 -4,-1.7 -1,-0.2 396,-0.2 -2,-0.2 0.761 129.6 23.1 -79.2 -30.5 23.3 -19.6 39.5 382 390 A T H < S- 0 0 7 -4,-1.6 -2,-0.2 2,-0.2 -3,-0.2 0.617 89.2-126.8-112.6 -23.0 24.5 -22.7 37.6 383 391 A G S < S+ 0 0 55 -4,-2.8 2,-0.5 -5,-0.3 -4,-0.1 0.558 76.4 112.0 77.1 8.7 23.2 -25.8 39.3 384 392 A K - 0 0 15 -6,-0.4 2,-0.4 670,-0.2 -1,-0.2 -0.957 62.8-140.1-118.0 123.3 26.7 -27.1 39.4 385 393 A A + 0 0 62 -2,-0.5 -9,-0.1 1,-0.1 3,-0.0 -0.753 19.6 178.9 -79.7 131.6 28.7 -27.6 42.7 386 394 A A + 0 0 6 -2,-0.4 671,-0.1 -11,-0.2 -1,-0.1 0.112 52.3 102.0-123.5 21.6 32.3 -26.6 42.2 387 395 A F 0 0 46 1,-0.2 -1,-0.1 -12,-0.1 -11,-0.0 0.922 360.0 360.0 -68.0 -46.1 33.7 -27.1 45.8 388 396 A R 0 0 163 -3,-0.0 -1,-0.2 1055,-0.0 -2,-0.1 0.586 360.0 360.0 -95.8 360.0 35.2 -30.4 44.6 389 !* 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 0.0 390 11 B T 0 0 125 0, 0.0 2,-0.4 0, 0.0 1152,-0.2 0.000 360.0 360.0 360.0 155.9 58.5 16.2 31.2 391 12 B Y - 0 0 83 1150,-2.1 1153,-0.1 2,-0.0 5,-0.0 -0.964 360.0-124.8-118.8 138.9 59.0 12.5 30.5 392 13 B A > - 0 0 24 -2,-0.4 4,-2.0 1,-0.1 3,-0.3 -0.423 45.7-100.3 -65.7 154.2 57.2 10.1 28.2 393 14 B P H > S+ 0 0 1 0, 0.0 4,-1.2 0, 0.0 3,-0.2 0.897 123.0 38.4 -49.8 -51.2 56.0 7.1 30.3 394 15 B L H >>S+ 0 0 18 1,-0.2 5,-1.4 2,-0.2 4,-1.4 0.770 110.3 62.1 -74.8 -25.5 58.8 4.7 29.2 395 16 B E H 45S+ 0 0 118 -3,-0.3 -1,-0.2 2,-0.2 5,-0.0 0.864 99.7 54.8 -62.8 -35.3 61.3 7.6 29.2 396 17 B L H <5S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.930 112.8 41.8 -65.7 -42.3 60.7 7.9 33.0 397 18 B F H <5S- 0 0 1 -4,-1.2 -1,-0.2 283,-0.1 -2,-0.2 0.736 104.9-139.0 -66.3 -27.8 61.5 4.2 33.4 398 19 B D T <5 + 0 0 39 -4,-1.4 3,-0.5 -5,-0.1 -3,-0.2 0.969 41.2 161.2 59.3 56.4 64.4 4.6 30.9 399 20 B T > < + 0 0 7 -5,-1.4 3,-1.9 1,-0.2 4,-0.2 0.758 61.9 75.2 -73.5 -22.5 63.9 1.4 29.1 400 21 B D G > S+ 0 0 93 1,-0.3 3,-2.0 -6,-0.3 -1,-0.2 0.808 83.5 67.4 -59.0 -27.0 65.9 2.6 26.2 401 22 B R G 3 S+ 0 0 84 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.701 95.1 57.0 -67.4 -16.5 69.1 2.0 28.3 402 23 B L G < S+ 0 0 58 -3,-1.9 2,-0.3 -4,-0.1 -1,-0.3 0.444 99.0 75.9 -88.7 -3.7 68.3 -1.7 28.1 403 24 B L S < S- 0 0 17 -3,-2.0 2,-0.0 -4,-0.2 288,-0.0 -0.875 74.9-129.6-116.1 143.6 68.4 -1.6 24.2 404 25 B D > - 0 0 77 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.215 34.9 -99.3 -84.1 176.1 71.3 -1.5 21.8 405 26 B Q H > S+ 0 0 98 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.913 121.6 50.7 -67.5 -40.7 71.5 1.0 18.9 406 27 B D H > S+ 0 0 111 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.909 111.2 49.1 -64.4 -39.0 70.3 -1.5 16.3 407 28 B E H > S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.937 112.5 46.9 -62.3 -48.4 67.3 -2.4 18.3 408 29 B R H X S+ 0 0 76 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.884 111.2 53.2 -62.2 -35.1 66.4 1.2 18.9 409 30 B D H X S+ 0 0 72 -4,-2.5 4,-2.7 -5,-0.2 -2,-0.2 0.903 107.7 50.6 -68.6 -40.1 66.9 1.9 15.2 410 31 B I H X S+ 0 0 43 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.940 109.6 50.1 -61.2 -46.1 64.5 -0.9 14.3 411 32 B A H X S+ 0 0 14 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.950 113.2 46.6 -56.5 -46.6 61.9 0.4 16.7 412 33 B A H X S+ 0 0 61 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.892 111.9 50.5 -65.1 -40.1 62.2 3.9 15.1 413 34 B T H X S+ 0 0 83 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.930 113.3 44.3 -62.9 -47.0 62.1 2.5 11.6 414 35 B V H X S+ 0 0 5 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.905 112.2 53.1 -67.7 -40.6 58.9 0.5 12.2 415 36 B R H X S+ 0 0 86 -4,-2.6 4,-2.7 -5,-0.3 -1,-0.2 0.905 109.3 49.1 -59.0 -41.5 57.3 3.5 14.1 416 37 B Q H X S+ 0 0 115 -4,-2.3 4,-2.2 2,-0.2 5,-0.3 0.905 111.2 49.9 -66.7 -39.8 58.0 5.8 11.1 417 38 B F H X>S+ 0 0 23 -4,-2.2 4,-3.0 2,-0.2 5,-0.8 0.935 112.3 47.6 -60.5 -46.5 56.5 3.2 8.7 418 39 B V H X>S+ 0 0 5 -4,-2.8 5,-3.0 1,-0.2 4,-1.5 0.949 113.4 47.6 -57.8 -49.3 53.4 2.9 10.9 419 40 B D H <5S+ 0 0 78 -4,-2.7 -1,-0.2 3,-0.2 -2,-0.2 0.852 123.1 32.3 -63.7 -39.1 53.0 6.7 11.2 420 41 B T H <5S+ 0 0 76 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.855 130.0 27.5 -89.1 -40.8 53.4 7.3 7.5 421 42 B R H <5S+ 0 0 126 -4,-3.0 -3,-0.2 -5,-0.3 -2,-0.2 0.772 130.9 23.2 -95.7 -29.6 51.9 4.2 5.7 422 43 B L T >X S+ 0 0 73 -3,-1.8 4,-2.3 2,-0.1 -2,-0.2 0.498 90.8 91.6-110.7 -11.7 44.3 4.8 6.8 426 47 B V H X S+ 0 0 5 -4,-1.1 4,-2.7 -3,-0.5 5,-0.3 0.845 82.6 56.5 -66.0 -36.6 43.5 2.9 10.0 427 48 B E H X S+ 0 0 73 -4,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.955 113.1 41.3 -57.8 -49.5 40.3 4.7 10.9 428 49 B G H > S+ 0 0 25 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.888 113.3 53.8 -66.6 -38.0 38.7 3.8 7.5 429 50 B W H X>S+ 0 0 36 -4,-2.3 5,-2.4 2,-0.2 4,-0.6 0.910 112.3 44.6 -60.8 -44.9 40.1 0.3 7.6 430 51 B F H ><5S+ 0 0 2 -4,-2.7 3,-0.9 3,-0.2 -2,-0.2 0.961 113.8 48.3 -65.2 -49.6 38.6 -0.3 11.0 431 52 B E H 3<5S+ 0 0 44 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.908 119.2 39.3 -56.3 -45.2 35.2 1.2 10.2 432 53 B S H 3<5S- 0 0 74 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.465 109.0-124.5 -86.7 -0.3 34.9 -0.7 6.9 433 54 B A T <<5 + 0 0 30 -3,-0.9 2,-0.3 -4,-0.6 -3,-0.2 0.959 64.2 125.0 53.9 58.1 36.4 -3.9 8.4 434 55 B T < - 0 0 56 -5,-2.4 -1,-0.2 -6,-0.1 -2,-0.1 -0.984 43.3-170.9-140.5 152.7 39.2 -4.4 6.0 435 56 B L - 0 0 7 -2,-0.3 165,-0.1 163,-0.1 -9,-0.0 -0.860 39.8-122.6-135.8 106.2 42.9 -4.9 6.0 436 57 B P > - 0 0 41 0, 0.0 3,-1.8 0, 0.0 4,-0.3 -0.184 3.1-137.2 -58.7 135.9 44.2 -4.7 2.4 437 58 B S T > S+ 0 0 73 1,-0.3 3,-1.9 2,-0.2 4,-0.4 0.755 99.1 75.1 -60.6 -25.4 46.1 -7.7 1.0 438 59 B E T >> S+ 0 0 68 1,-0.3 4,-1.2 2,-0.2 3,-0.5 0.721 80.0 71.7 -59.3 -24.2 48.5 -5.2 -0.6 439 60 B L H <> S+ 0 0 6 -3,-1.8 4,-2.9 1,-0.2 5,-0.3 0.783 80.0 75.4 -64.8 -23.7 50.0 -4.6 2.8 440 61 B A H <> S+ 0 0 3 -3,-1.9 4,-2.3 -4,-0.3 -1,-0.2 0.943 99.3 42.8 -51.6 -48.4 51.6 -8.1 2.7 441 62 B K H <> S+ 0 0 84 -3,-0.5 4,-2.8 -4,-0.4 -1,-0.2 0.853 112.3 53.7 -67.1 -37.8 54.2 -6.8 0.2 442 63 B E H X S+ 0 0 49 -4,-1.2 4,-1.9 2,-0.2 -2,-0.2 0.920 112.0 44.4 -61.2 -45.2 54.7 -3.6 2.3 443 64 B F H X>S+ 0 0 0 -4,-2.9 5,-1.4 2,-0.2 4,-1.3 0.907 113.6 52.1 -65.5 -39.6 55.4 -5.6 5.4 444 65 B G H ><5S+ 0 0 10 -4,-2.3 3,-0.6 -5,-0.3 -2,-0.2 0.945 110.3 46.7 -60.7 -47.9 57.6 -7.9 3.4 445 66 B N H 3<5S+ 0 0 122 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.852 106.6 58.8 -65.0 -31.4 59.7 -5.0 2.0 446 67 B L H 3<5S- 0 0 47 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.790 113.2-123.1 -66.9 -28.3 59.9 -3.5 5.5 447 68 B G T <<5S+ 0 0 28 -4,-1.3 12,-0.4 -3,-0.6 -3,-0.2 0.488 77.8 116.5 102.1 8.6 61.6 -6.8 6.6 448 69 B V > < + 0 0 4 -5,-1.4 3,-1.2 2,-0.1 2,-0.7 0.609 42.1 99.0 -87.8 -10.1 59.3 -7.9 9.4 449 70 B L T 3 S- 0 0 3 -6,-0.5 10,-0.2 63,-0.4 36,-0.1 -0.666 110.9 -11.3 -86.0 115.2 57.9 -11.1 7.9 450 71 B G T > S+ 0 0 5 -2,-0.7 3,-2.0 34,-0.3 10,-0.5 0.753 88.9 157.2 67.6 27.2 59.8 -14.0 9.4 451 72 B M T < + 0 0 7 -3,-1.2 10,-2.7 1,-0.3 9,-0.4 0.766 67.4 50.6 -60.6 -27.9 62.3 -11.5 10.8 452 73 B H T 3 S+ 0 0 53 8,-0.2 -1,-0.3 -4,-0.2 2,-0.2 0.515 95.0 92.1 -85.4 -6.3 63.5 -13.8 13.6 453 74 B L S < S- 0 0 11 -3,-2.0 7,-1.2 2,-0.1 2,-0.4 -0.520 73.8-126.8 -86.5 157.6 64.1 -16.7 11.2 454 75 B Q - 0 0 114 -2,-0.2 5,-0.1 6,-0.1 2,-0.1 -0.886 65.1 -1.2-108.0 133.4 67.5 -17.3 9.5 455 76 B G S > S+ 0 0 42 -2,-0.4 3,-2.4 3,-0.4 5,-0.1 -0.289 83.8 87.1 88.3-177.5 67.9 -17.8 5.7 456 77 B Y T 3 S- 0 0 64 1,-0.3 56,-0.2 -2,-0.1 3,-0.1 0.701 124.9 -59.2 61.3 22.2 65.3 -17.7 3.0 457 78 B G T 3 S+ 0 0 79 1,-0.3 -1,-0.3 55,-0.1 2,-0.1 0.504 100.1 144.2 81.4 5.6 65.5 -13.9 2.6 458 79 B C < - 0 0 19 -3,-2.4 -3,-0.4 1,-0.1 -1,-0.3 -0.400 60.8-119.1 -76.4 156.8 64.5 -13.5 6.3 459 80 B A - 0 0 59 -12,-0.4 -8,-0.2 -10,-0.2 -7,-0.1 0.786 29.3-146.3 -71.2 -27.7 66.0 -10.7 8.3 460 81 B G + 0 0 24 -7,-1.2 -8,-0.2 -10,-0.5 -6,-0.1 0.843 37.9 161.0 63.0 35.8 67.7 -13.0 10.9 461 82 B T - 0 0 27 -10,-2.7 -1,-0.1 -8,-0.2 -2,-0.0 -0.346 42.8 -97.4 -77.8 164.0 67.2 -10.5 13.8 462 83 B N > - 0 0 51 1,-0.1 4,-1.5 -2,-0.1 -1,-0.2 -0.187 37.5-103.7 -68.2 174.9 67.3 -11.3 17.4 463 84 B A H > S+ 0 0 0 231,-0.2 4,-2.7 1,-0.2 5,-0.2 0.885 118.1 57.6 -73.3 -40.1 64.2 -11.9 19.4 464 85 B V H > S+ 0 0 0 230,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.928 106.3 51.2 -57.5 -41.9 64.2 -8.5 21.2 465 86 B S H > S+ 0 0 7 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.900 108.6 50.1 -63.1 -42.1 64.2 -6.8 17.7 466 87 B Y H X S+ 0 0 7 -4,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.935 110.8 51.9 -60.2 -45.4 61.2 -8.9 16.6 467 88 B G H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.948 108.8 48.5 -53.0 -51.2 59.5 -7.9 19.9 468 89 B L H X S+ 0 0 5 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.897 110.1 51.9 -61.1 -41.8 60.1 -4.2 19.3 469 90 B A H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.928 110.7 48.2 -59.0 -45.0 58.8 -4.4 15.7 470 91 B C H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.910 109.3 54.0 -60.4 -43.4 55.6 -6.1 17.0 471 92 B M H X S+ 0 0 5 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.937 112.0 44.0 -55.4 -47.2 55.3 -3.3 19.7 472 93 B E H X S+ 0 0 10 -4,-2.4 4,-1.1 2,-0.2 -2,-0.2 0.905 112.6 51.1 -69.8 -39.9 55.5 -0.6 17.0 473 94 B L H >X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 3,-0.5 0.942 112.3 46.9 -61.1 -42.4 53.1 -2.4 14.6 474 95 B E H 3< S+ 0 0 0 -4,-2.6 4,-0.2 1,-0.3 -2,-0.2 0.817 100.7 64.9 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11.0 28.8 838 72 C M T < + 0 0 7 -3,-1.2 10,-2.8 1,-0.3 9,-0.5 0.754 67.3 51.3 -62.3 -27.0 5.8 8.1 30.9 839 73 C H T 3 S+ 0 0 52 8,-0.2 -1,-0.3 -4,-0.2 2,-0.1 0.617 93.9 93.5 -83.8 -12.0 6.5 9.6 34.3 840 74 C L S < S- 0 0 18 -3,-1.8 7,-1.1 2,-0.1 2,-0.5 -0.455 75.5-126.1 -80.5 150.2 4.8 12.9 33.2 841 75 C Q - 0 0 117 -2,-0.1 2,-0.1 6,-0.1 5,-0.1 -0.907 65.4 -1.8-102.1 124.7 1.2 13.6 34.0 842 76 C G S > S+ 0 0 36 -2,-0.5 3,-2.5 3,-0.5 5,-0.1 -0.339 82.0 85.6 98.5 180.0 -1.3 14.6 31.2 843 77 C Y T 3 S- 0 0 65 1,-0.3 56,-0.2 -2,-0.1 3,-0.1 0.660 125.2 -55.6 63.9 19.8 -1.0 15.2 27.5 844 78 C G T 3 S+ 0 0 75 1,-0.3 -1,-0.3 55,-0.1 2,-0.1 0.401 100.9 142.7 87.3 0.4 -1.4 11.6 26.7 845 79 C C < - 0 0 19 -3,-2.5 -3,-0.5 1,-0.1 -1,-0.3 -0.360 62.1-118.1 -70.2 153.7 1.5 10.6 28.9 846 80 C A - 0 0 60 -12,-0.5 -8,-0.1 -10,-0.2 -7,-0.1 0.792 30.9-146.3 -63.7 -32.3 1.3 7.4 30.9 847 81 C G + 0 0 21 -7,-1.1 -8,-0.2 -9,-0.5 -6,-0.1 0.848 38.1 160.0 66.0 37.5 1.5 9.1 34.3 848 82 C T - 0 0 24 -10,-2.8 -1,-0.2 -8,-0.2 -2,-0.0 -0.363 43.1 -97.5 -79.3 168.5 3.4 6.3 36.0 849 83 C N > - 0 0 50 -2,-0.1 4,-1.5 1,-0.1 -1,-0.2 -0.189 38.9-101.4 -72.9 173.2 5.5 6.6 39.1 850 84 C A H > S+ 0 0 0 231,-0.2 4,-2.6 1,-0.2 5,-0.2 0.898 119.2 57.8 -67.7 -40.7 9.3 6.9 38.9 851 85 C V H > S+ 0 0 0 230,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.920 105.6 51.3 -56.9 -43.8 10.0 3.3 39.7 852 86 C S H > S+ 0 0 6 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.891 108.6 50.2 -62.6 -41.5 8.0 2.3 36.7 853 87 C Y H X S+ 0 0 7 -4,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.928 110.6 52.2 -59.0 -44.1 9.9 4.7 34.4 854 88 C G H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.937 108.6 48.7 -58.5 -47.7 13.2 3.2 35.8 855 89 C L H X S+ 0 0 3 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.909 110.4 51.4 -63.0 -41.3 12.1 -0.4 35.0 856 90 C A H X S+ 0 0 2 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.933 110.3 49.3 -58.9 -44.1 11.1 0.6 31.5 857 91 C C H X S+ 0 0 1 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.915 109.0 53.1 -59.0 -44.0 14.6 2.2 31.0 858 92 C M H X S+ 0 0 2 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.924 111.4 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75.3 -10.2 44.6 1182 29 D R H X S+ 0 0 64 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.891 109.0 54.2 -64.0 -35.9 73.7 -13.6 44.9 1183 30 D D H X S+ 0 0 75 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.873 106.2 52.3 -63.5 -38.8 76.2 -14.5 47.7 1184 31 D I H X S+ 0 0 43 -4,-1.8 4,-2.6 2,-0.2 5,-0.3 0.950 109.4 49.3 -62.1 -46.6 75.2 -11.4 49.7 1185 32 D A H X S+ 0 0 14 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.934 112.7 47.6 -58.1 -45.9 71.5 -12.3 49.4 1186 33 D A H X S+ 0 0 60 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.891 111.0 51.0 -64.3 -39.7 72.2 -15.9 50.6 1187 34 D T H X S+ 0 0 81 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.930 112.9 44.5 -63.9 -45.6 74.4 -14.7 53.5 1188 35 D V H X S+ 0 0 4 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.918 111.6 53.6 -67.7 -40.0 71.8 -12.3 54.8 1189 36 D R H X S+ 0 0 89 -4,-2.6 4,-2.7 -5,-0.3 -1,-0.2 0.905 109.3 48.8 -58.1 -42.9 69.0 -14.9 54.3 1190 37 D Q H X S+ 0 0 119 -4,-2.2 4,-2.1 2,-0.2 5,-0.3 0.904 110.8 50.3 -64.5 -41.3 70.9 -17.4 56.4 1191 38 D F H X>S+ 0 0 23 -4,-2.1 4,-2.9 2,-0.2 5,-0.7 0.930 112.3 47.6 -58.8 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40.0 -60.4 -45.0 54.0 -9.9 70.5 1206 53 D S H 3<5S- 0 0 69 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.513 107.6-126.3 -81.9 -7.4 56.1 -8.2 73.2 1207 54 D A T <<5 + 0 0 27 -4,-0.7 2,-0.3 -3,-0.7 -3,-0.2 0.947 65.2 128.0 55.9 55.2 56.7 -5.1 71.0 1208 55 D T < - 0 0 62 -5,-2.3 -1,-0.2 -6,-0.1 -2,-0.1 -0.955 42.2-174.2-135.1 152.6 60.5 -5.3 71.4 1209 56 D L - 0 0 14 -2,-0.3 165,-0.1 163,-0.1 -9,-0.0 -0.804 40.2-121.0-143.8 101.5 63.5 -5.4 69.2 1210 57 D P > - 0 0 52 0, 0.0 3,-1.7 0, 0.0 4,-0.3 -0.131 6.9-136.4 -52.3 131.7 66.6 -5.9 71.4 1211 58 D S T > S+ 0 0 59 1,-0.3 3,-2.2 2,-0.2 4,-0.4 0.804 100.9 71.9 -55.7 -32.6 69.3 -3.1 71.1 1212 59 D E T >> S+ 0 0 73 1,-0.3 4,-1.3 2,-0.2 3,-0.8 0.737 78.7 75.5 -55.5 -25.0 72.0 -5.9 71.0 1213 60 D L H <> S+ 0 0 6 -3,-1.7 4,-2.9 1,-0.2 5,-0.3 0.821 80.5 71.7 -59.7 -27.2 70.8 -6.7 67.5 1214 61 D A H <> S+ 0 0 2 -3,-2.2 4,-2.3 -4,-0.3 -1,-0.2 0.922 99.0 45.9 -52.6 -45.1 72.7 -3.5 66.4 1215 62 D K H <> S+ 0 0 82 -3,-0.8 4,-2.9 -4,-0.4 -1,-0.2 0.856 110.9 52.2 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-59.5 -28.7 77.0 -1.1 53.6 1226 73 D H T 3 S+ 0 0 52 8,-0.2 -1,-0.3 -4,-0.2 2,-0.2 0.569 95.2 90.1 -85.7 -6.8 76.7 1.1 50.5 1227 74 D L S < S- 0 0 12 -3,-2.0 7,-1.1 2,-0.1 2,-0.4 -0.481 74.0-128.6 -85.4 157.4 79.1 3.7 52.0 1228 75 D Q + 0 0 114 -2,-0.2 5,-0.1 6,-0.1 -2,-0.1 -0.880 64.5 2.1-108.7 138.0 82.9 3.7 51.5 1229 76 D G S > S+ 0 0 42 3,-0.4 3,-2.5 -2,-0.4 5,-0.1 -0.265 83.8 85.1 86.8-177.9 85.4 3.9 54.3 1230 77 D Y T 3 S- 0 0 65 1,-0.3 56,-0.2 -2,-0.1 3,-0.1 0.692 125.7 -58.6 56.6 25.3 84.9 4.1 58.1 1231 78 D G T 3 S+ 0 0 76 1,-0.3 -1,-0.3 55,-0.1 2,-0.1 0.445 100.6 143.0 80.1 7.0 84.7 0.3 58.3 1232 79 D C < - 0 0 18 -3,-2.5 -3,-0.4 1,-0.1 -1,-0.3 -0.379 61.1-119.4 -78.2 152.7 81.7 0.2 55.9 1233 80 D A - 0 0 60 -12,-0.4 -8,-0.2 -10,-0.2 -7,-0.1 0.791 30.1-145.7 -65.8 -30.2 81.4 -2.7 53.5 1234 81 D G + 0 0 22 -7,-1.1 -8,-0.2 -10,-0.5 -6,-0.1 0.847 38.0 159.7 65.6 38.2 81.5 -0.5 50.3 1235 82 D T - 0 0 27 -10,-2.7 -1,-0.1 -8,-0.2 -2,-0.0 -0.373 43.2 -96.9 -81.9 168.0 79.1 -2.6 48.2 1236 83 D N > - 0 0 52 -2,-0.1 4,-1.4 1,-0.1 -1,-0.1 -0.159 38.8-102.5 -72.1 174.5 77.1 -1.4 45.2 1237 84 D A H > S+ 0 0 0 231,-0.2 4,-2.7 2,-0.2 5,-0.2 0.886 118.4 58.3 -70.0 -40.5 73.5 -0.3 45.5 1238 85 D V H > S+ 0 0 0 230,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.923 106.1 50.9 -58.7 -39.0 72.0 -3.6 44.1 1239 86 D S H > S+ 0 0 6 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.889 108.6 50.2 -65.1 -43.1 73.8 -5.5 46.9 1240 87 D Y H X S+ 0 0 7 -4,-1.4 4,-2.7 2,-0.2 -1,-0.2 0.942 110.6 51.9 -58.7 -43.5 72.4 -3.1 49.6 1241 88 D G H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.937 108.5 49.5 -58.3 -47.0 68.9 -3.6 48.0 1242 89 D L H X S+ 0 0 6 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.907 109.8 51.1 -61.9 -40.7 69.3 -7.4 48.2 1243 90 D A H X S+ 0 0 1 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.930 110.6 49.1 -60.8 -44.5 70.3 -7.2 51.9 1244 91 D C H X S+ 0 0 1 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.922 108.8 53.9 -60.0 -43.5 67.2 -5.0 52.6 1245 92 D M H X S+ 0 0 3 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.943 112.0 44.0 -55.6 -48.5 65.0 -7.5 50.8 1246 93 D E 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3,-0.4 -1303,-0.3 6,-0.3 -0.322 98.3 -97.3-103.0-175.7 48.2 -15.6 64.6 1510 357 D L S S+ 0 0 2 -1305,-1.5 -1304,-0.1 1,-0.2 -1305,-0.1 0.450 98.6 95.7 -80.5 1.1 51.9 -15.0 64.5 1511 358 D E S S+ 0 0 112 -5,-0.2 2,-0.4 -1306,-0.2 -1,-0.2 0.916 88.3 34.1 -61.2 -45.9 52.5 -18.6 63.4 1512 359 D Y S > S- 0 0 58 -6,-0.4 3,-0.6 -3,-0.4 4,-0.4 -0.926 86.2-127.1-114.5 135.3 52.7 -17.8 59.7 1513 360 D S T 3> S+ 0 0 6 -2,-0.4 4,-2.9 1,-0.2 3,-0.3 0.631 82.8 87.4 -59.3 -25.1 54.2 -14.5 58.5 1514 361 D P H 3> S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.845 90.9 44.1 -49.9 -49.3 51.5 -13.0 56.2 1515 362 D L H <> S+ 0 0 1 -3,-0.6 4,-2.6 -8,-0.4 5,-0.2 0.902 115.8 48.4 -66.5 -42.0 49.4 -11.1 58.7 1516 363 D R H > S+ 0 0 6 -4,-0.4 4,-2.8 -3,-0.3 -146,-0.3 0.946 113.3 48.2 -56.7 -49.2 52.5 -9.7 60.5 1517 364 D H H X S+ 0 0 0 -4,-2.9 4,-2.9 2,-0.2 -2,-0.2 0.922 110.4 51.4 -57.1 -46.5 54.0 -8.7 57.1 1518 365 D A H X S+ 0 0 4 -4,-2.9 4,-0.9 -5,-0.2 -2,-0.2 0.945 112.2 46.6 -59.3 -45.1 50.7 -7.0 56.1 1519 366 D N H >X S+ 0 0 5 -4,-2.6 3,-1.0 1,-0.2 4,-0.7 0.940 112.9 48.3 -61.1 -48.9 50.5 -5.0 59.3 1520 367 D N H >X S+ 0 0 0 -4,-2.8 4,-1.3 1,-0.2 3,-1.0 0.916 104.5 60.5 -58.7 -42.1 54.2 -4.0 59.1 1521 368 D L H 3X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.3 -1,-0.2 0.710 88.2 73.7 -64.0 -16.4 53.7 -2.9 55.5 1522 369 D E H - 0 0 17 1,-0.1 4,-2.1 4,-0.0 5,-0.2 -0.214 34.6-101.6 -63.7 165.6 53.1 8.0 51.2 1531 378 D S H > S+ 0 0 12 -6,-0.8 4,-2.7 1,-0.2 5,-0.2 0.911 125.0 53.2 -51.1 -43.8 51.8 6.3 48.2 1532 379 D E H > S+ 0 0 47 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.880 105.7 53.0 -66.9 -34.7 49.9 9.5 47.2 1533 380 D M H > S+ 0 0 30 -3,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.937 113.0 43.2 -64.1 -45.3 53.1 11.5 47.4 1534 381 D H H X S+ 0 0 4 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.900 111.9 55.0 -65.6 -41.2 54.9 9.2 45.1 1535 382 D L H X S+ 0 0 6 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.932 111.3 43.7 -53.2 -50.6 51.9 9.0 42.8 1536 383 D L H X S+ 0 0 2 -4,-2.5 4,-2.2 2,-0.2 11,-0.2 0.806 109.0 57.6 -71.1 -30.3 51.8 12.8 42.5 1537 384 D S H X S+ 0 0 40 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.930 109.5 45.6 -61.7 -45.3 55.6 12.9 42.0 1538 385 D I H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.927 110.8 53.9 -62.2 -46.6 55.1 10.6 39.0 1539 386 D G H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 6,-0.4 0.881 107.7 49.9 -55.3 -41.5 52.2 12.8 37.8 1540 387 D K H X S+ 0 0 105 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.910 108.6 52.8 -66.0 -41.5 54.4 15.9 37.9 1541 388 D A H < S+ 0 0 13 -4,-2.0 -1150,-2.1 1,-0.2 -2,-0.2 0.856 114.0 43.0 -59.4 -38.1 57.1 14.1 35.9 1542 389 D L H < S+ 0 0 3 -4,-2.0 -1,-0.2 -1152,-0.2 -2,-0.2 0.788 128.7 24.9 -78.9 -28.3 54.6 13.1 33.2 1543 390 D T H < S- 0 0 7 -4,-1.6 -2,-0.2 -5,-0.2 -3,-0.2 0.647 90.1-126.8-114.1 -22.9 52.8 16.4 32.9 1544 391 D G S < S+ 0 0 52 -4,-2.9 2,-0.5 -5,-0.2 -4,-0.1 0.461 77.6 108.8 81.1 1.4 55.1 19.2 34.1 1545 392 D K - 0 0 18 -6,-0.4 2,-0.4 -878,-0.2 -1,-0.2 -0.957 64.4-139.3-116.3 125.0 52.4 20.3 36.6 1546 393 D A + 0 0 61 -2,-0.5 -9,-0.1 1,-0.1 3,-0.0 -0.663 19.2 179.5 -79.0 133.7 52.6 19.9 40.4 1547 394 D A + 0 0 9 -2,-0.4 -1,-0.1 -11,-0.2 -877,-0.1 0.007 51.1 103.9-126.3 25.9 49.3 18.9 41.8 1548 395 D F 0 0 41 1,-0.1 -1,-0.1 -12,-0.1 -11,-0.0 0.918 360.0 360.0 -71.6 -41.6 50.2 18.6 45.6 1549 396 D R 0 0 157 -3,-0.0 -1,-0.1 -1267,-0.0 -2,-0.1 0.729 360.0 360.0 -96.3 360.0 48.5 21.9 46.4