==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 27-DEC-11 4ADM . COMPND 2 MOLECULE: FUMARATE HYDRATASE CLASS II; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR A.E.MECHALY,A.HAOUZ,I.MIRAS,P.WEBER,W.SHEPARD,S.COLE,P.M.ALZ . 1806 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 54534.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1324 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 79 4.4 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 . 15 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 42 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 179 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 916 50.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 48 2.7 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 12 0 0 8 0 6 2 0 0 4 4 4 0 4 4 4 4 0 0 0 0 8 4 4 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 PARALLEL BRIDGES PER LADDER . 7 4 1 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 13 3 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 9 A N 0 0 117 0, 0.0 15,-1.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 137.0 91.0 20.7 27.3 2 10 A Y E -A 15 0A 124 13,-0.3 2,-0.3 14,-0.1 11,-0.1 -0.969 360.0-154.9-142.6 159.8 91.2 17.2 28.8 3 11 A R E -A 14 0A 62 11,-2.8 11,-2.9 -2,-0.3 2,-0.5 -0.881 28.5-106.7-130.0 160.6 93.2 15.1 31.3 4 12 A I E +A 13 0A 83 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.803 37.8 170.6 -95.6 128.3 94.0 11.4 31.6 5 13 A E E -A 12 0A 40 7,-2.7 7,-3.0 -2,-0.5 2,-0.3 -0.819 14.8-152.8-121.4 164.0 92.2 9.3 34.2 6 14 A H E +A 11 0A 102 -2,-0.3 16,-0.3 5,-0.2 5,-0.2 -0.976 16.2 176.7-141.8 157.4 92.2 5.5 34.5 7 15 A D E > -A 10 0A 11 3,-2.1 3,-1.1 -2,-0.3 1202,-0.0 -0.701 58.0 -76.0-137.8-169.7 90.2 2.6 35.8 8 16 A T T 3 S+ 0 0 41 1,-0.2 3,-0.1 -2,-0.2 1201,-0.0 0.637 130.6 54.5 -73.8 -7.3 90.6 -1.2 35.8 9 17 A M T 3 S- 0 0 56 1,-0.3 2,-0.3 1199,-0.0 -1,-0.2 0.559 119.3 -96.6 -97.6 -11.5 89.5 -1.2 32.1 10 18 A G E < -A 7 0A 29 -3,-1.1 -3,-2.1 2,-0.0 -1,-0.3 -0.842 59.6 -18.3 134.1-165.7 92.2 1.4 31.0 11 19 A E E -A 6 0A 153 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.524 50.3-170.0 -84.8 142.0 92.9 5.1 30.3 12 20 A V E -A 5 0A 11 -7,-3.0 -7,-2.7 -2,-0.2 2,-0.5 -0.999 23.5-126.5-135.0 138.1 90.0 7.6 29.7 13 21 A R E -A 4 0A 155 -2,-0.3 -9,-0.2 -9,-0.2 8,-0.0 -0.741 33.3-174.3 -84.2 118.8 90.1 11.3 28.5 14 22 A V E -A 3 0A 1 -11,-2.9 -11,-2.8 -2,-0.5 8,-0.1 -0.939 36.3 -92.7-116.9 138.4 88.1 13.4 31.0 15 23 A P E > -A 2 0A 56 0, 0.0 3,-1.2 0, 0.0 -13,-0.3 -0.269 39.8-121.7 -51.6 132.9 87.3 17.2 30.6 16 24 A A T 3 S+ 0 0 42 -15,-1.7 -14,-0.1 1,-0.3 -12,-0.0 0.787 108.3 40.0 -47.0 -42.8 90.1 19.1 32.3 17 25 A K T 3 S+ 0 0 188 -16,-0.2 -1,-0.3 -14,-0.0 -15,-0.1 0.579 89.3 114.0 -87.5 -13.5 87.8 21.0 34.8 18 26 A A < - 0 0 10 -3,-1.2 68,-0.1 1,-0.1 -4,-0.1 -0.296 54.6-155.0 -63.7 138.8 85.5 18.0 35.6 19 27 A L S S+ 0 0 12 64,-0.1 91,-0.4 2,-0.0 -1,-0.1 0.631 73.9 85.1 -87.0 -16.9 85.5 16.6 39.2 20 28 A W - 0 0 32 1,-0.1 2,-0.1 90,-0.1 83,-0.1 -0.250 68.8-152.8 -76.4 170.5 84.3 13.2 38.0 21 29 A R > - 0 0 49 81,-0.1 4,-2.2 82,-0.0 5,-0.2 -0.290 39.5 -46.4-128.5-150.5 86.9 10.7 36.7 22 30 A A H > S+ 0 0 0 -16,-0.3 4,-2.3 1,-0.2 5,-0.1 0.866 126.7 46.9 -56.8 -47.5 87.3 7.7 34.3 23 31 A Q H > S+ 0 0 12 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.863 113.7 48.0 -70.8 -34.9 84.2 5.6 35.2 24 32 A T H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.914 111.2 51.7 -68.2 -41.8 81.8 8.6 35.1 25 33 A Q H X S+ 0 0 20 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.903 107.4 51.8 -62.9 -39.2 83.3 9.6 31.8 26 34 A R H X S+ 0 0 34 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.935 110.9 49.6 -59.0 -43.7 82.7 6.1 30.4 27 35 A A H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 63,-0.3 0.835 104.7 57.0 -65.2 -34.6 79.1 6.3 31.6 28 36 A V H < S+ 0 0 47 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.903 114.4 39.9 -59.6 -41.4 78.6 9.7 29.9 29 37 A E H < S+ 0 0 92 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.765 116.3 49.9 -80.6 -28.2 79.6 8.1 26.6 30 38 A N H < S+ 0 0 0 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.792 116.1 36.8 -81.3 -29.5 77.7 4.8 27.1 31 39 A F < + 0 0 1 -4,-2.0 2,-2.1 -5,-0.2 3,-0.4 -0.068 56.5 146.0-124.3 46.7 74.3 6.3 28.1 32 40 A P + 0 0 70 0, 0.0 1244,-0.1 0, 0.0 -4,-0.1 -0.477 41.7 119.1 -78.0 84.5 73.4 9.5 26.1 33 41 A I S S+ 0 0 0 -2,-2.1 1239,-0.2 3,-0.1 1240,-0.1 0.823 76.9 10.2-117.1 -58.7 69.7 8.5 26.2 34 42 A S S S- 0 0 6 -3,-0.4 3,-0.1 2,-0.2 1235,-0.1 0.631 83.0-132.0-100.4 -21.9 67.3 10.9 28.0 35 43 A G S S+ 0 0 73 -4,-0.3 2,-0.4 1,-0.2 54,-0.0 0.594 74.3 107.4 77.8 11.0 69.8 13.9 28.5 36 44 A R - 0 0 103 3,-0.0 55,-2.2 0, 0.0 56,-0.3 -0.984 48.3-170.7-123.9 136.1 68.6 14.0 32.1 37 45 A G B -B 90 0B 20 -2,-0.4 53,-0.2 53,-0.3 54,-0.1 -0.191 44.3 -39.3-104.2-162.1 70.6 13.0 35.2 38 46 A L - 0 0 18 51,-0.5 -1,-0.3 49,-0.3 2,-0.1 -0.288 62.7-116.4 -61.1 147.6 69.9 12.5 38.9 39 47 A E >> - 0 0 63 1,-0.1 4,-2.2 -3,-0.1 3,-0.6 -0.382 28.2-102.5 -81.0 163.9 67.7 15.0 40.6 40 48 A R H 3> S+ 0 0 87 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.869 123.4 54.0 -51.5 -43.1 68.8 17.4 43.4 41 49 A T H 3> S+ 0 0 42 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.855 109.1 48.2 -66.0 -31.8 67.0 15.1 45.9 42 50 A Q H <> S+ 0 0 9 -3,-0.6 4,-2.3 2,-0.2 -2,-0.2 0.884 111.8 47.7 -71.3 -43.3 68.9 12.0 44.7 43 51 A I H X S+ 0 0 3 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.909 111.0 53.3 -65.2 -40.8 72.3 13.7 44.7 44 52 A R H X S+ 0 0 107 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.941 110.4 46.2 -58.3 -48.6 71.5 15.0 48.3 45 53 A A H X S+ 0 0 4 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.899 112.8 49.7 -64.0 -39.2 70.7 11.4 49.5 46 54 A L H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.907 113.1 46.9 -65.5 -40.7 73.9 10.0 47.8 47 55 A G H X S+ 0 0 1 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.903 113.5 48.2 -67.1 -39.1 76.0 12.7 49.5 48 56 A L H X S+ 0 0 32 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.916 113.3 47.3 -65.7 -44.6 74.3 12.1 52.9 49 57 A L H X S+ 0 0 1 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.912 110.2 52.0 -67.6 -41.6 74.8 8.4 52.6 50 58 A K H X S+ 0 0 1 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.885 111.6 47.6 -61.2 -39.0 78.5 8.6 51.6 51 59 A G H X S+ 0 0 10 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.915 111.1 50.5 -67.2 -41.2 79.2 10.9 54.6 52 60 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.889 109.8 51.1 -64.9 -38.1 77.4 8.5 57.0 53 61 A C H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.911 110.1 49.0 -65.5 -42.9 79.4 5.6 55.6 54 62 A A H X S+ 0 0 2 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.878 110.3 52.1 -62.6 -39.2 82.7 7.5 56.2 55 63 A Q H X S+ 0 0 62 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.929 112.9 43.2 -62.2 -47.1 81.6 8.4 59.7 56 64 A V H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 6,-0.2 0.905 112.9 52.0 -68.6 -42.3 80.8 4.7 60.6 57 65 A N H <>S+ 0 0 1 -4,-2.7 5,-2.7 1,-0.2 6,-1.0 0.896 113.0 46.7 -59.9 -36.9 84.1 3.4 58.9 58 66 A S H ><5S+ 0 0 33 -4,-2.2 3,-1.3 4,-0.2 -2,-0.2 0.896 110.3 52.1 -67.1 -44.0 86.0 6.0 61.0 59 67 A D H 3<5S+ 0 0 90 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.790 110.3 48.8 -62.3 -33.2 84.1 5.0 64.2 60 68 A L T 3<5S- 0 0 52 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.375 115.5-118.2 -89.8 3.2 85.0 1.4 63.7 61 69 A G T < 5S+ 0 0 66 -3,-1.3 -3,-0.2 2,-0.2 -2,-0.1 0.686 82.9 117.6 67.8 24.4 88.7 2.4 63.1 62 70 A L S - 0 0 56 -2,-0.4 4,-2.6 1,-0.1 3,-0.3 -0.261 28.6-119.5 -55.8 142.4 92.1 6.9 59.0 65 73 A P H > S+ 0 0 90 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.849 112.1 55.0 -57.4 -37.6 90.7 10.1 60.5 66 74 A E H > S+ 0 0 130 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.924 113.2 42.2 -58.7 -46.2 92.3 12.4 57.9 67 75 A K H > S+ 0 0 63 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.915 115.1 49.6 -68.7 -43.1 90.6 10.4 55.0 68 76 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.921 111.2 49.7 -62.9 -43.7 87.3 10.2 56.9 69 77 A D H X S+ 0 0 107 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.899 111.0 50.1 -60.6 -42.7 87.3 14.0 57.5 70 78 A A H X S+ 0 0 17 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.895 113.5 45.4 -62.7 -42.8 88.1 14.6 53.8 71 79 A I H X S+ 0 0 1 -4,-2.3 4,-3.3 2,-0.2 5,-0.2 0.941 112.7 49.7 -66.0 -47.9 85.2 12.3 52.7 72 80 A I H X S+ 0 0 48 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.909 112.8 47.4 -60.0 -44.0 82.7 13.8 55.2 73 81 A A H X S+ 0 0 53 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.941 116.3 43.6 -62.4 -48.2 83.6 17.4 54.2 74 82 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.904 113.4 51.2 -64.3 -44.2 83.3 16.6 50.4 75 83 A A H X S+ 0 0 1 -4,-3.3 4,-2.7 1,-0.2 -1,-0.2 0.852 107.8 53.2 -63.0 -34.9 80.1 14.5 50.9 76 84 A A H X S+ 0 0 47 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.910 108.0 50.4 -66.6 -41.9 78.5 17.5 52.9 77 85 A E H <>S+ 0 0 59 -4,-1.8 5,-2.3 2,-0.2 4,-0.5 0.905 113.2 46.4 -59.3 -45.5 79.3 19.9 49.9 78 86 A I H ><5S+ 0 0 0 -4,-2.2 3,-1.4 1,-0.2 5,-0.3 0.939 111.9 50.1 -62.1 -48.9 77.7 17.3 47.5 79 87 A A H 3<5S+ 0 0 12 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.874 107.8 54.5 -60.2 -36.1 74.6 16.9 49.8 80 88 A D T 3<5S- 0 0 122 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.557 119.7-109.7 -74.4 -10.6 74.2 20.7 50.0 81 89 A G T < 5S+ 0 0 28 -3,-1.4 3,-0.4 -4,-0.5 -3,-0.2 0.710 78.3 130.1 88.4 26.2 74.1 21.0 46.2 82 90 A Q S + 0 0 26 -6,-0.3 3,-2.5 -5,-0.3 -1,-0.2 0.083 68.5 126.4-136.6 28.9 78.4 20.1 42.8 84 92 A D G > S+ 0 0 48 -3,-0.4 3,-1.7 1,-0.3 -2,-0.1 0.845 74.6 62.7 -60.6 -28.6 75.2 19.1 41.0 85 93 A D G 3 S+ 0 0 121 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.585 92.8 66.9 -72.2 -5.5 76.9 20.0 37.6 86 94 A Q G < S+ 0 0 24 -3,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.261 85.5 75.0 -96.3 11.1 79.5 17.2 38.5 87 95 A F < + 0 0 12 -3,-1.7 -49,-0.3 1,-0.1 -1,-0.2 -0.720 52.4 151.3-121.4 75.1 76.8 14.5 38.1 88 96 A P + 0 0 52 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.446 27.0 121.5 -89.3 -2.8 76.3 14.2 34.3 89 97 A I - 0 0 2 1,-0.1 -51,-0.5 10,-0.1 -61,-0.1 -0.447 64.3-114.4 -70.2 136.1 75.3 10.5 34.0 90 98 A D B -B 37 0B 10 -63,-0.3 -53,-0.3 -2,-0.2 3,-0.2 -0.208 16.1-121.8 -60.4 153.2 71.9 9.8 32.5 91 99 A V S S+ 0 0 6 -55,-2.2 2,-1.9 1,-0.2 -1,-0.1 0.858 107.3 71.0 -58.3 -39.2 69.0 8.2 34.5 92 100 A F S S+ 0 0 0 -56,-0.3 -1,-0.2 -61,-0.2 2,-0.2 -0.455 76.5 121.0 -87.5 70.0 69.1 5.4 31.9 93 101 A Q S S- 0 0 0 -2,-1.9 255,-0.2 1,-0.3 1136,-0.1 -0.436 74.6 -34.8-112.0-172.2 72.4 3.8 33.0 94 102 A T > - 0 0 1 1,-0.2 3,-2.0 -2,-0.2 -1,-0.3 -0.185 68.1-116.0 -49.5 137.4 73.4 0.4 34.3 95 103 A G T 3 S+ 0 0 0 1,-0.3 251,-1.6 249,-0.2 -1,-0.2 0.500 108.8 57.7 -63.6 -12.3 70.4 -0.9 36.4 96 104 A S T 3 S- 0 0 0 248,-0.2 -1,-0.3 250,-0.1 39,-0.2 0.530 108.4-116.8 -90.8 -13.1 72.2 -1.0 39.8 97 105 A G <> + 0 0 0 -3,-2.0 4,-2.4 247,-0.1 5,-0.2 0.674 66.5 146.0 79.0 16.7 73.2 2.7 39.7 98 106 A T H > + 0 0 4 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.889 68.7 52.4 -49.5 -46.2 76.9 1.6 39.6 99 107 A S H > S+ 0 0 5 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.929 110.6 44.8 -65.0 -42.9 77.8 4.6 37.5 100 108 A S H > S+ 0 0 1 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.863 112.3 53.3 -69.6 -31.8 76.2 7.2 39.8 101 109 A N H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.955 112.4 43.8 -65.3 -45.1 77.8 5.5 42.8 102 110 A M H X S+ 0 0 0 -4,-2.8 4,-3.1 1,-0.2 5,-0.2 0.858 108.5 59.8 -67.8 -30.7 81.2 5.8 41.1 103 111 A N H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.933 108.1 44.3 -60.2 -43.7 80.3 9.4 40.1 104 112 A T H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.931 115.0 48.9 -66.9 -42.9 79.9 10.2 43.9 105 113 A N H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.907 113.9 45.1 -61.6 -45.4 83.1 8.3 44.7 106 114 A E H X S+ 0 0 7 -4,-3.1 4,-2.1 2,-0.2 -1,-0.2 0.856 112.7 49.5 -68.3 -41.1 85.2 10.0 42.0 107 115 A V H X S+ 0 0 0 -4,-2.1 4,-2.7 -5,-0.2 -2,-0.2 0.911 111.1 50.2 -67.4 -41.2 83.9 13.6 42.7 108 116 A I H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.933 110.3 50.8 -60.4 -46.2 84.6 13.1 46.5 109 117 A A H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 10,-0.3 0.887 112.2 46.9 -59.8 -39.7 88.2 12.0 45.6 110 118 A S H X S+ 0 0 12 -4,-2.1 4,-1.2 -91,-0.4 -1,-0.2 0.895 112.4 48.9 -69.1 -39.7 88.7 15.1 43.4 111 119 A I H >X S+ 0 0 20 -4,-2.7 4,-0.7 1,-0.2 3,-0.6 0.940 112.6 48.8 -62.8 -45.5 87.3 17.5 46.0 112 120 A A H ><>S+ 0 0 8 -4,-2.9 5,-2.4 1,-0.2 3,-0.6 0.818 104.4 59.4 -63.2 -34.7 89.6 15.9 48.7 113 121 A A H ><5S+ 0 0 51 -4,-1.7 3,-1.2 1,-0.2 -1,-0.2 0.822 100.2 56.6 -62.4 -33.7 92.6 16.2 46.3 114 122 A K H <<5S+ 0 0 164 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.744 107.0 50.0 -68.0 -27.3 92.1 20.0 46.2 115 123 A G T <<5S- 0 0 67 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.296 126.5-103.8 -91.7 3.8 92.4 19.9 50.0 116 124 A G T < 5S+ 0 0 62 -3,-1.2 2,-0.4 1,-0.2 -3,-0.2 0.726 81.8 124.4 79.1 27.0 95.6 17.9 49.8 117 125 A V < - 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0 0 44 -2,-0.2 4,-2.5 -5,-0.2 5,-0.1 -0.534 36.1-112.3 -86.1 161.6 -1.7 14.7 54.6 435 451 A I H > S+ 0 0 51 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.883 120.3 53.4 -61.4 -37.1 -0.8 18.0 52.9 436 452 A E H > S+ 0 0 120 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.899 110.4 46.5 -64.4 -41.2 1.4 18.9 56.0 437 453 A D H > S+ 0 0 30 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.912 109.8 54.1 -66.2 -43.7 3.3 15.6 55.7 438 454 A L H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.931 110.0 46.8 -55.5 -47.7 3.8 16.1 51.9 439 455 A D H < S+ 0 0 70 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.852 112.6 49.3 -65.9 -34.8 5.3 19.6 52.6 440 456 A R H >< S+ 0 0 165 -4,-1.9 3,-0.8 1,-0.2 -1,-0.2 0.920 113.7 46.7 -67.1 -44.0 7.6 18.2 55.4 441 457 A R H 3< S+ 0 0 58 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.793 111.5 50.5 -67.5 -33.6 8.8 15.3 53.1 442 458 A L T 3< S+ 0 0 20 -4,-1.9 2,-0.6 -5,-0.2 -1,-0.2 0.418 75.1 118.7 -90.0 1.9 9.4 17.6 50.0 443 459 A D <> - 0 0 86 -3,-0.8 4,-2.1 -4,-0.4 5,-0.1 -0.578 55.4-153.9 -69.7 112.9 11.6 20.1 51.9 444 460 A V H > S+ 0 0 9 -2,-0.6 4,-1.3 2,-0.2 -1,-0.2 0.841 88.9 50.7 -63.2 -38.4 14.9 19.8 50.0 445 461 A L H >4>S+ 0 0 66 2,-0.2 3,-0.7 1,-0.2 5,-0.6 0.954 114.1 45.1 -66.9 -42.7 17.2 21.0 52.9 446 462 A A H >45S+ 0 0 61 1,-0.2 3,-1.3 2,-0.2 -2,-0.2 0.861 108.5 59.3 -63.8 -33.9 15.6 18.5 55.3 447 463 A M H 3<5S+ 0 0 6 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.790 97.4 59.3 -65.6 -28.3 15.8 15.8 52.5 448 464 A A T <<5S- 0 0 0 -4,-1.3 -1,-0.3 -3,-0.7 -261,-0.2 0.612 96.6-146.0 -75.2 -13.8 19.6 16.3 52.5 449 465 A K T < 5 - 0 0 75 -3,-1.3 -3,-0.1 -4,-0.4 -2,-0.1 0.902 20.3-160.8 49.7 48.9 19.7 15.2 56.2 450 466 A A < 0 0 33 -5,-0.6 -1,-0.1 1,-0.1 -279,-0.1 -0.404 360.0 360.0 -64.8 135.6 22.6 17.6 56.9 451 467 A E 0 0 122 -281,-0.1 -1,-0.1 -2,-0.1 -261,-0.0 0.301 360.0 360.0 -68.0 360.0 24.5 16.7 60.2 452 !* 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 0.0 453 9 B N 0 0 125 0, 0.0 15,-1.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -47.9 6.9 -20.6 27.2 454 10 B Y E -J 467 0I 117 13,-0.3 2,-0.3 14,-0.1 11,-0.1 -0.971 360.0-156.1-143.0 159.6 6.7 -17.0 28.6 455 11 B R E -J 466 0I 63 11,-2.8 11,-2.9 -2,-0.3 2,-0.5 -0.878 28.4-106.7-130.3 160.6 4.7 -15.0 31.2 456 12 B I E +J 465 0I 84 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.807 37.9 170.6 -95.7 128.5 3.9 -11.3 31.5 457 13 B E E -J 464 0I 40 7,-2.7 7,-3.0 -2,-0.5 2,-0.3 -0.814 14.7-153.0-121.5 163.2 5.7 -9.2 34.2 458 14 B H E +J 463 0I 102 -2,-0.3 16,-0.3 5,-0.2 5,-0.2 -0.979 16.2 176.7-141.0 157.9 5.7 -5.4 34.5 459 15 B D E > -J 462 0I 11 3,-2.1 3,-1.2 -2,-0.3 1203,-0.0 -0.697 58.2 -75.4-137.7-169.2 7.8 -2.5 35.9 460 16 B T T 3 S+ 0 0 42 1,-0.3 3,-0.1 -2,-0.2 1202,-0.0 0.646 130.6 54.4 -73.6 -7.3 7.3 1.3 35.8 461 17 B M T 3 S- 0 0 52 1,-0.3 2,-0.3 1200,-0.0 -1,-0.3 0.538 119.3 -95.9 -98.0 -10.9 8.4 1.3 32.1 462 18 B G E < -J 459 0I 30 -3,-1.2 -3,-2.1 2,-0.0 -1,-0.3 -0.839 59.7 -19.0 133.6-167.7 5.8 -1.3 31.0 463 19 B E E -J 458 0I 153 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.525 50.4-170.0 -83.0 142.2 5.1 -5.0 30.3 464 20 B V E -J 457 0I 10 -7,-3.0 -7,-2.7 -2,-0.2 2,-0.5 -0.999 23.6-126.2-135.8 137.3 7.9 -7.5 29.6 465 21 B R E -J 456 0I 155 -2,-0.3 -9,-0.2 -9,-0.2 8,-0.0 -0.739 33.4-174.4 -83.1 119.0 7.8 -11.1 28.4 466 22 B V E -J 455 0I 1 -11,-2.9 -11,-2.8 -2,-0.5 8,-0.1 -0.942 36.2 -93.1-116.9 138.7 9.8 -13.2 30.9 467 23 B P E > -J 454 0I 55 0, 0.0 3,-1.1 0, 0.0 -13,-0.3 -0.255 39.1-122.4 -51.5 133.3 10.6 -17.0 30.5 468 24 B A T 3 S+ 0 0 46 -15,-1.7 -14,-0.1 1,-0.3 -12,-0.0 0.788 108.3 41.0 -47.8 -42.1 7.8 -19.0 32.2 469 25 B K T 3 S+ 0 0 195 -16,-0.2 -1,-0.3 -14,-0.0 -15,-0.1 0.589 89.3 113.0 -86.6 -15.4 10.1 -20.9 34.6 470 26 B A < - 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0 0 40 -2,-0.3 4,-2.4 -3,-0.2 5,-0.1 -0.356 35.6-111.5 -79.4 165.7 20.0 47.6 10.4 1798 451 D I H > S+ 0 0 52 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.833 121.5 52.4 -65.3 -31.9 17.9 44.6 11.7 1799 452 D E H > S+ 0 0 117 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.904 109.8 46.6 -70.0 -43.8 19.0 42.7 8.5 1800 453 D D H > S+ 0 0 35 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.907 112.1 52.2 -64.5 -42.4 22.7 43.4 9.2 1801 454 D L H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.897 108.9 48.9 -60.4 -44.4 22.2 42.3 12.8 1802 455 D D H < S+ 0 0 68 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.780 113.3 48.3 -69.8 -24.6 20.6 39.0 11.8 1803 456 D R H >< S+ 0 0 163 -4,-1.3 3,-1.0 -3,-0.2 -2,-0.2 0.914 113.4 46.5 -76.3 -45.5 23.5 38.4 9.4 1804 457 D R H 3< S+ 0 0 54 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.834 118.6 41.7 -64.0 -35.3 26.1 39.2 12.0 1805 458 D L T 3< S+ 0 0 13 -4,-2.3 2,-1.2 -5,-0.2 -1,-0.2 0.194 75.2 132.5-101.8 17.7 24.4 37.0 14.7 1806 459 D D <> - 0 0 72 -3,-1.0 4,-1.7 1,-0.2 -3,-0.1 -0.564 36.2-171.7 -71.5 98.1 23.6 34.1 12.3 1807 460 D V H > S+ 0 0 0 -2,-1.2 4,-1.4 2,-0.2 -1,-0.2 0.825 80.7 55.3 -65.5 -34.5 24.8 31.3 14.6 1808 461 D L H 4 S+ 0 0 55 1,-0.2 4,-0.5 2,-0.2 3,-0.3 0.927 108.8 48.4 -65.8 -40.8 24.4 28.5 12.0 1809 462 D A H >4 S+ 0 0 58 1,-0.2 3,-1.0 2,-0.2 -2,-0.2 0.872 108.2 55.7 -62.6 -38.2 26.7 30.6 9.6 1810 463 D M H 3< S+ 0 0 14 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.803 103.9 52.8 -62.7 -32.8 29.2 31.0 12.5 1811 464 D A T 3< 0 0 0 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.604 360.0 360.0 -76.3 -14.3 29.3 27.2 12.9 1812 465 D K < 0 0 105 -3,-1.0 -3,-0.2 -4,-0.5 -2,-0.1 0.968 360.0 360.0 62.4 360.0 30.2 27.2 9.1