==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 08-MAR-13 4JJT . COMPND 2 MOLECULE: ENOYL-COA HYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR K.TAN,J.HOLOWICKI,M.ENDRES,C.-Y.KIM,H.KIM,L.-W.HUNG,T.C.TERW . 671 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26034.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 500 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 87 13.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 4.3 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 . 3 0.4 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 . 52 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 257 38.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 3 0 0 3 3 3 3 0 0 2 1 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 3 RESIDUES PER ALPHA HELIX . 6 0 6 6 0 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 PARALLEL BRIDGES PER LADDER . 1 2 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 3 0 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 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 4 A D 0 0 142 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -37.4 -6.2 -60.8 13.3 2 5 A I + 0 0 38 1,-0.2 15,-2.6 16,-0.1 2,-0.4 0.611 360.0 42.8 -71.3 -11.6 -9.7 -59.1 13.6 3 6 A L E S-A 16 0A 10 13,-0.2 2,-0.4 14,-0.1 -1,-0.2 -0.945 80.2-151.9-136.4 115.7 -7.7 -56.1 14.7 4 7 A L E -A 15 0A 77 11,-2.5 11,-2.4 -2,-0.4 2,-0.5 -0.732 10.3-165.0 -89.5 132.3 -4.5 -55.1 12.8 5 8 A I E +A 14 0A 98 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.950 11.6 173.5-124.8 112.7 -1.9 -53.2 14.8 6 9 A D E -A 13 0A 80 7,-2.1 7,-2.4 -2,-0.5 2,-0.4 -0.909 15.3-162.0-121.7 145.2 0.9 -51.3 13.0 7 10 A T E +A 12 0A 72 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.990 21.1 154.1-128.3 127.0 3.7 -49.0 14.3 8 11 A D E > -A 11 0A 92 3,-2.0 3,-0.6 -2,-0.4 -2,-0.0 -0.878 69.4 -13.6-157.0 116.4 5.6 -46.7 12.0 9 12 A E T 3 S- 0 0 155 -2,-0.3 3,-0.1 1,-0.2 175,-0.1 0.932 126.9 -51.4 55.4 51.9 7.4 -43.4 12.8 10 13 A R T 3 S+ 0 0 92 1,-0.2 37,-2.4 35,-0.1 38,-1.4 0.698 113.5 121.3 61.6 22.4 5.7 -43.0 16.2 11 14 A V E < -Ab 8 48A 11 -3,-0.6 -3,-2.0 35,-0.2 2,-0.6 -0.973 50.3-154.8-120.3 123.0 2.3 -43.5 14.7 12 15 A R E -Ab 7 49A 25 36,-2.5 38,-2.9 -2,-0.5 2,-0.5 -0.852 9.5-161.5 -99.1 114.9 0.0 -46.4 15.8 13 16 A T E -Ab 6 50A 10 -7,-2.4 -7,-2.1 -2,-0.6 2,-0.5 -0.837 2.6-164.7 -99.7 128.2 -2.5 -47.5 13.2 14 17 A L E -Ab 5 51A 0 36,-3.7 38,-2.4 -2,-0.5 2,-0.6 -0.953 6.4-168.3-112.9 118.2 -5.5 -49.5 14.3 15 18 A T E -Ab 4 52A 27 -11,-2.4 -11,-2.5 -2,-0.5 2,-0.5 -0.914 20.0-137.7-113.5 115.7 -7.4 -51.4 11.5 16 19 A L E -Ab 3 53A 0 36,-2.4 38,-2.3 -2,-0.6 2,-0.3 -0.568 27.0-171.8 -65.4 115.5 -10.8 -52.9 12.1 17 20 A N + 0 0 32 -15,-2.6 3,-0.1 -2,-0.5 -14,-0.1 -0.448 48.0 103.9-122.4 59.7 -10.4 -56.2 10.2 18 21 A R > > + 0 0 55 -2,-0.3 5,-3.1 36,-0.1 3,-1.8 -0.515 35.1 157.4-123.2 63.5 -13.7 -58.1 10.0 19 22 A P G > 5 + 0 0 58 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.815 68.2 60.7 -63.0 -32.2 -14.4 -57.3 6.3 20 23 A Q G 3 5S+ 0 0 196 1,-0.3 -2,-0.0 2,-0.1 -3,-0.0 0.654 112.7 39.6 -69.6 -14.7 -16.7 -60.3 5.8 21 24 A S G X 5S- 0 0 49 -3,-1.8 3,-1.5 3,-0.1 -1,-0.3 0.003 121.6-104.8-119.6 25.6 -18.9 -58.8 8.5 22 25 A R T < 5S- 0 0 169 -3,-1.7 38,-1.9 1,-0.3 39,-0.1 0.833 70.5 -67.6 53.0 37.5 -18.6 -55.2 7.4 23 26 A N T 3 - 0 0 10 -2,-1.5 4,-2.4 36,-0.2 5,-0.2 -0.258 43.3 -96.2 -74.9 173.2 -18.4 -58.0 18.0 27 30 A A H > S+ 0 0 35 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.883 127.0 47.8 -58.4 -40.6 -17.7 -58.6 21.7 28 31 A A H > S+ 0 0 50 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.847 112.0 48.8 -70.3 -35.9 -14.2 -59.8 20.9 29 32 A L H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.849 109.1 52.2 -74.7 -35.5 -13.4 -56.8 18.6 30 33 A R H X S+ 0 0 31 -4,-2.4 4,-2.0 2,-0.2 5,-0.2 0.901 109.0 51.7 -65.4 -40.7 -14.7 -54.3 21.1 31 34 A D H X S+ 0 0 90 -4,-1.7 4,-0.9 -5,-0.2 -2,-0.2 0.912 114.8 41.0 -60.9 -44.3 -12.5 -55.8 23.8 32 35 A R H X S+ 0 0 116 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.856 113.1 52.7 -77.6 -36.5 -9.3 -55.7 21.6 33 36 A F H X S+ 0 0 3 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.955 112.4 43.4 -62.8 -51.8 -9.9 -52.2 20.1 34 37 A F H X S+ 0 0 14 -4,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.739 114.2 52.4 -68.9 -23.0 -10.4 -50.5 23.5 35 38 A A H X S+ 0 0 50 -4,-0.9 4,-1.7 -5,-0.2 -1,-0.2 0.845 106.8 53.8 -75.3 -36.7 -7.5 -52.4 24.9 36 39 A A H X S+ 0 0 5 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.878 105.8 51.8 -64.9 -40.9 -5.4 -51.2 21.9 37 40 A L H X S+ 0 0 1 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.900 107.9 52.1 -62.2 -42.3 -6.2 -47.6 22.6 38 41 A A H X S+ 0 0 43 -4,-1.1 4,-1.6 1,-0.2 -1,-0.2 0.876 108.1 51.8 -62.7 -39.4 -5.1 -47.9 26.2 39 42 A D H X S+ 0 0 103 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.922 108.4 51.0 -61.0 -46.3 -1.8 -49.4 25.1 40 43 A A H < S+ 0 0 0 -4,-2.0 6,-0.2 1,-0.2 -2,-0.2 0.875 110.4 49.0 -60.3 -40.1 -1.2 -46.5 22.7 41 44 A E H < S+ 0 0 51 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.823 115.7 44.5 -67.3 -31.8 -1.9 -44.0 25.5 42 45 A A H < S+ 0 0 78 -4,-1.6 2,-0.7 -5,-0.2 -2,-0.2 0.641 93.1 92.9 -88.7 -16.5 0.5 -45.9 27.8 43 46 A D >< - 0 0 55 -4,-1.6 3,-1.6 1,-0.1 -4,-0.0 -0.710 58.6-161.4 -86.5 114.8 3.2 -46.3 25.1 44 47 A D T 3 S+ 0 0 124 -2,-0.7 -1,-0.1 1,-0.3 -4,-0.1 0.619 89.1 63.8 -68.9 -12.9 5.8 -43.5 25.3 45 48 A D T 3 S+ 0 0 104 2,-0.0 2,-0.4 -34,-0.0 -1,-0.3 0.322 91.2 80.6 -93.3 7.2 7.0 -44.4 21.8 46 49 A I < + 0 0 1 -3,-1.6 -35,-0.2 -6,-0.2 3,-0.1 -0.941 41.1 162.8-116.6 136.3 3.6 -43.4 20.3 47 50 A D + 0 0 2 -37,-2.4 2,-0.3 -2,-0.4 -36,-0.2 0.664 67.6 27.6-117.4 -34.8 2.5 -39.9 19.6 48 51 A V E -b 11 0A 0 -38,-1.4 -36,-2.5 34,-0.2 2,-0.4 -0.985 62.5-149.2-135.7 142.7 -0.5 -40.2 17.2 49 52 A V E -bc 12 84A 0 34,-2.7 36,-3.7 -2,-0.3 2,-0.5 -0.935 6.3-159.6-113.1 135.0 -3.1 -42.9 16.6 50 53 A I E -bc 13 85A 0 -38,-2.9 -36,-3.7 -2,-0.4 2,-0.5 -0.960 5.8-165.3-112.9 123.5 -4.8 -43.7 13.3 51 54 A L E +bc 14 86A 1 34,-3.5 36,-3.0 -2,-0.5 2,-0.3 -0.924 23.9 142.7-108.7 127.8 -8.1 -45.5 13.2 52 55 A T E -bc 15 87A 6 -38,-2.4 -36,-2.4 -2,-0.5 2,-0.3 -0.916 35.8-120.3-150.5 175.3 -9.4 -47.0 10.0 53 56 A G E -b 16 0A 6 34,-0.5 2,-0.3 -2,-0.3 -36,-0.2 -0.868 29.3 -99.7-124.1 157.7 -11.2 -50.0 8.6 54 57 A A S > S- 0 0 19 -38,-2.3 3,-0.8 -2,-0.3 -36,-0.1 -0.594 71.2 -58.9 -72.7 132.7 -10.6 -52.8 6.1 55 58 A D T 3 S+ 0 0 85 -2,-0.3 -1,-0.1 1,-0.3 -32,-0.1 -0.133 111.4 18.2 -58.3 150.8 -12.3 -52.0 2.8 56 59 A P T 3 S+ 0 0 100 0, 0.0 35,-0.5 0, 0.0 2,-0.4 -0.998 120.5 43.0 -94.3 -1.3 -14.9 -51.4 1.6 57 60 A V < - 0 0 17 -3,-0.8 35,-0.1 33,-0.2 3,-0.1 -0.831 52.4-159.1-107.7 138.7 -16.6 -50.5 5.0 58 61 A F S S- 0 0 0 33,-0.8 2,-0.3 -2,-0.4 -4,-0.2 0.980 79.0 -35.5 -68.4 -66.2 -15.2 -48.4 7.9 59 62 A C B -g 92 0C 0 32,-2.5 34,-2.8 -6,-0.1 -36,-0.2 -0.836 41.9-159.0-164.4 124.9 -17.5 -49.9 10.5 60 63 A A - 0 0 34 -38,-1.9 35,-0.2 1,-0.3 2,-0.2 0.284 54.0-113.6 -89.6 10.0 -21.1 -51.1 10.3 61 64 A G - 0 0 1 -38,-0.3 -36,-3.8 33,-0.2 -1,-0.3 -0.587 64.6 -1.9 99.6-158.2 -21.6 -50.8 14.1 62 65 A L B S-f 25 0B 34 -38,-0.2 2,-1.2 -2,-0.2 -36,-0.2 -0.441 74.2-107.4 -71.9 142.8 -22.2 -53.4 16.8 63 66 A D - 0 0 20 -38,-1.9 3,-0.4 1,-0.2 4,-0.2 -0.599 39.8-179.9 -70.1 98.9 -22.5 -57.0 15.8 64 67 A L + 0 0 85 -2,-1.2 3,-0.5 1,-0.2 -1,-0.2 0.580 69.9 71.3 -81.6 -9.7 -26.3 -57.3 16.4 65 68 A K S S+ 0 0 91 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.882 93.9 52.2 -70.9 -39.4 -26.2 -61.0 15.4 66 69 A E 0 0 103 -3,-0.4 -1,-0.2 0, 0.0 -2,-0.2 0.440 360.0 360.0 -84.8 1.5 -24.5 -62.2 18.5 67 70 A L 0 0 92 -3,-0.5 -3,-0.1 -4,-0.2 3,-0.1 -0.350 360.0 360.0-134.0 360.0 -26.9 -60.5 20.9 68 ! 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 69 75 A A 0 0 129 0, 0.0 152,-0.0 0, 0.0 156,-0.0 0.000 360.0 360.0 360.0 168.8 -33.7 -58.7 26.2 70 76 A L - 0 0 52 151,-0.2 155,-0.1 1,-0.1 2,-0.1 -0.402 360.0-114.4 -65.2 119.5 -32.7 -55.4 24.7 71 77 A P - 0 0 28 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.275 26.1-160.5 -61.1 126.9 -28.8 -55.0 24.7 72 78 A D - 0 0 97 -2,-0.1 2,-0.5 51,-0.0 146,-0.0 -0.950 9.2-175.4-113.9 121.8 -27.3 -52.4 26.9 73 79 A I - 0 0 26 -2,-0.5 53,-0.0 0, 0.0 0, 0.0 -0.950 13.0-146.0-125.9 115.4 -23.7 -51.3 26.1 74 80 A S - 0 0 91 -2,-0.5 2,-0.2 1,-0.1 53,-0.1 -0.394 30.0 -98.9 -78.0 152.0 -21.7 -48.9 28.2 75 81 A P + 0 0 81 0, 0.0 -1,-0.1 0, 0.0 52,-0.1 -0.513 40.1 173.2 -72.2 139.1 -19.2 -46.4 26.8 76 82 A R + 0 0 104 -2,-0.2 51,-0.0 2,-0.1 -2,-0.0 0.439 28.2 129.8-127.5 -6.9 -15.6 -47.6 27.0 77 83 A W - 0 0 47 1,-0.1 3,-0.1 -40,-0.0 -43,-0.0 -0.391 54.8-136.6 -59.0 112.5 -13.5 -45.0 25.1 78 84 A P - 0 0 40 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.180 20.7 -90.4 -75.1 161.7 -10.7 -44.2 27.6 79 85 A A - 0 0 99 2,-0.0 2,-0.3 -41,-0.0 117,-0.0 -0.552 53.2-175.9 -70.8 130.8 -9.3 -40.7 28.4 80 86 A X - 0 0 8 -2,-0.3 119,-0.1 1,-0.1 4,-0.1 -0.975 35.7-168.4-136.6 146.6 -6.4 -39.9 26.1 81 87 A T S S+ 0 0 46 -2,-0.3 114,-0.2 2,-0.1 115,-0.2 0.403 74.9 83.1-108.4 -4.1 -3.8 -37.2 25.7 82 88 A K S S- 0 0 3 113,-0.1 -34,-0.2 114,-0.0 -35,-0.1 -0.886 87.9-109.9-104.1 132.9 -2.6 -38.5 22.3 83 89 A P - 0 0 0 0, 0.0 -34,-2.7 0, 0.0 2,-0.5 -0.261 23.7-149.1 -62.9 142.1 -4.6 -37.5 19.2 84 90 A V E -c 49 0A 1 -36,-0.2 20,-1.7 18,-0.1 21,-1.5 -0.957 7.0-158.1-116.4 115.9 -6.7 -40.0 17.3 85 91 A I E -cd 50 105A 0 -36,-3.7 -34,-3.5 -2,-0.5 2,-0.7 -0.813 5.8-151.0 -94.3 125.9 -7.1 -39.6 13.6 86 92 A G E -cd 51 106A 0 19,-3.2 21,-2.8 -2,-0.5 2,-1.1 -0.866 4.9-164.3 -98.3 112.5 -10.1 -41.3 12.0 87 93 A A E -cd 52 107A 0 -36,-3.0 2,-0.9 -2,-0.7 -34,-0.5 -0.767 12.0-155.4 -95.3 90.8 -9.5 -42.3 8.4 88 94 A I E + d 0 108A 0 19,-1.5 21,-2.8 -2,-1.1 24,-0.2 -0.553 21.7 170.0 -75.5 105.0 -13.1 -43.0 7.2 89 95 A N - 0 0 2 -2,-0.9 22,-0.2 19,-0.2 2,-0.2 0.680 61.5 -25.7 -92.2 -23.0 -12.6 -45.4 4.3 90 96 A G S S+ 0 0 1 23,-0.1 23,-1.6 1,-0.1 -33,-0.2 -0.583 107.0 3.1-156.9-139.1 -16.2 -46.4 3.7 91 97 A A E - h 0 113C 5 -35,-0.5 -32,-2.5 21,-0.2 -33,-0.8 -0.447 46.6-169.1 -69.4 129.3 -19.5 -46.8 5.5 92 98 A A E -gh 59 114C 0 21,-2.6 23,-1.8 -34,-0.2 2,-0.5 -0.914 18.8-178.2-117.7 101.7 -19.6 -45.6 9.1 93 99 A V E > - h 0 115C 15 -34,-2.8 3,-2.1 -2,-0.6 2,-0.6 -0.886 44.3 -55.0-116.4 127.3 -23.0 -46.8 10.5 94 100 A T T 3> S+ 0 0 19 21,-2.7 4,-1.5 -2,-0.5 -33,-0.2 -0.284 133.8 21.3 59.0-100.4 -24.5 -46.4 13.9 95 101 A G H 3> S+ 0 0 2 -2,-0.6 4,-1.6 1,-0.2 -1,-0.3 0.899 128.8 50.7 -66.6 -41.6 -22.0 -47.7 16.4 96 102 A G H <> S+ 0 0 0 -3,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.825 106.2 56.5 -63.1 -32.9 -19.2 -47.2 13.8 97 103 A L H > S+ 0 0 0 18,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.864 105.7 50.8 -64.3 -36.5 -20.5 -43.7 13.4 98 104 A E H X S+ 0 0 6 -4,-1.5 4,-1.0 1,-0.2 -2,-0.2 0.825 104.4 57.3 -73.2 -30.9 -20.0 -43.2 17.1 99 105 A L H X S+ 0 0 0 -4,-1.6 4,-0.6 1,-0.2 3,-0.3 0.899 108.1 48.3 -59.7 -42.1 -16.5 -44.5 16.9 100 106 A A H >< S+ 0 0 1 -4,-1.5 3,-1.0 1,-0.2 -2,-0.2 0.883 106.6 54.3 -68.6 -40.8 -15.8 -41.8 14.3 101 107 A L H 3< S+ 0 0 1 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.719 100.9 62.7 -66.5 -21.9 -17.3 -39.0 16.4 102 108 A Y H 3< S+ 0 0 24 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.776 87.0 96.3 -70.3 -28.1 -14.9 -40.1 19.2 103 109 A C S << S- 0 0 2 -3,-1.0 -18,-0.2 -4,-0.6 3,-0.1 -0.205 72.1-139.8 -66.1 154.0 -11.9 -39.2 17.1 104 110 A D S S+ 0 0 6 -20,-1.7 2,-0.4 1,-0.3 489,-0.3 0.849 89.4 23.0 -78.3 -38.5 -10.2 -35.8 17.3 105 111 A I E -d 85 0A 0 -21,-1.5 -19,-3.2 488,-0.1 2,-0.4 -0.996 69.3-157.2-136.5 130.5 -9.7 -35.5 13.6 106 112 A L E -d 86 0A 9 -2,-0.4 58,-2.5 -21,-0.2 59,-0.6 -0.917 7.3-175.9-111.8 132.8 -11.6 -37.0 10.7 107 113 A I E -de 87 165A 0 -21,-2.8 -19,-1.5 -2,-0.4 2,-0.3 -0.987 18.2-151.7-124.9 120.2 -10.3 -37.6 7.1 108 114 A A E -de 88 166A 0 57,-2.5 59,-2.2 -2,-0.4 -19,-0.2 -0.715 7.6-139.2-101.3 139.1 -12.8 -39.0 4.6 109 115 A S E > - e 0 167A 0 -21,-2.8 3,-1.5 -2,-0.3 59,-0.2 -0.433 36.1-108.5 -74.4 163.8 -12.4 -41.1 1.5 110 116 A E T 3 S+ 0 0 107 57,-0.9 44,-0.3 1,-0.3 45,-0.2 0.683 124.4 54.5 -65.4 -16.5 -14.6 -40.2 -1.5 111 117 A H T 3 S+ 0 0 106 -22,-0.2 -1,-0.3 -23,-0.1 2,-0.1 0.403 81.1 124.7 -97.5 -0.9 -16.3 -43.4 -0.6 112 118 A A < + 0 0 1 -3,-1.5 42,-0.6 -24,-0.2 2,-0.3 -0.378 35.6 179.0 -64.9 134.3 -17.0 -42.4 3.0 113 119 A R E -hI 91 153C 115 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129 A L < - 0 0 24 -5,-1.9 -1,-0.3 -6,-0.1 -2,-0.2 -0.976 56.3-131.6-137.2 149.4 -32.3 -48.9 20.3 124 130 A L - 0 0 8 -2,-0.3 97,-0.0 93,-0.2 296,-0.0 -0.821 38.1 -97.9 -98.8 146.2 -31.2 -45.6 21.7 125 131 A P + 0 0 2 0, 0.0 92,-0.2 0, 0.0 -1,-0.1 -0.214 37.1 172.6 -61.1 147.1 -27.5 -44.5 21.5 126 132 A T + 0 0 24 91,-0.1 88,-0.1 -52,-0.1 87,-0.0 0.331 68.3 71.8-132.6 -2.5 -25.2 -45.0 24.5 127 133 A W S S- 0 0 4 -53,-0.1 -53,-0.1 -52,-0.1 83,-0.0 0.080 118.7 -87.3-107.6 21.8 -21.8 -44.1 22.9 128 134 A G S >> S+ 0 0 1 82,-0.1 4,-3.2 81,-0.1 3,-0.9 0.539 83.5 132.7 96.0 9.7 -22.5 -40.3 22.7 129 135 A L H 3> S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 81,-0.0 0.918 70.6 53.5 -61.6 -49.3 -24.3 -40.0 19.3 130 136 A S H 34 S+ 0 0 1 1,-0.2 -1,-0.2 2,-0.2 301,-0.0 0.643 120.7 35.8 -64.5 -13.6 -27.2 -37.8 20.4 131 137 A V H <> S+ 0 0 5 -3,-0.9 4,-0.8 3,-0.1 -2,-0.2 0.825 124.4 35.6-100.8 -50.4 -24.6 -35.4 21.9 132 138 A R H X S+ 0 0 34 -4,-3.2 4,-1.8 2,-0.2 5,-0.2 0.855 108.7 61.2 -79.1 -38.0 -21.6 -35.5 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3,-2.2 -59,-0.2 4,-0.4 -0.354 52.6-109.0 -60.8 146.1 -9.2 -39.7 -3.4 169 175 A H G > S+ 0 0 36 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.828 116.0 47.6 -52.1 -46.9 -9.5 -43.3 -2.0 170 176 A D G 3 S+ 0 0 141 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.511 109.5 57.0 -75.8 -3.2 -5.9 -44.4 -2.4 171 177 A Q G <> S+ 0 0 107 -3,-2.2 4,-2.2 2,-0.1 -1,-0.3 0.399 81.2 93.8-103.3 -1.0 -4.7 -41.2 -0.8 172 178 A L H <> S+ 0 0 3 -3,-1.4 4,-2.2 -4,-0.4 5,-0.2 0.968 89.5 35.6 -58.0 -64.9 -6.7 -41.7 2.4 173 179 A L H > S+ 0 0 39 -4,-0.4 4,-2.1 1,-0.2 5,-0.2 0.892 116.5 54.1 -58.9 -45.1 -4.0 -43.3 4.6 174 180 A P H > S+ 0 0 50 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.885 110.4 48.1 -57.0 -38.1 -1.1 -41.3 3.1 175 181 A T H X S+ 0 0 3 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.918 110.5 51.4 -65.3 -43.6 -3.1 -38.1 4.0 176 182 A A H X S+ 0 0 0 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.813 111.5 47.6 -62.6 -32.7 -3.7 -39.4 7.5 177 183 A R H X S+ 0 0 114 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.785 108.0 54.8 -79.5 -29.4 -0.0 -40.2 7.9 178 184 A R H X S+ 0 0 141 -4,-1.6 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31.5 -86.1 97.6 154.2 -22.8 -19.7 13.5 369 145 B I H > S+ 0 0 20 216,-0.2 4,-2.3 1,-0.2 5,-0.2 0.933 122.0 47.8 -60.2 -52.5 -21.8 -16.8 15.7 370 146 B G H > S+ 0 0 13 241,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.900 116.0 42.3 -59.1 -46.7 -20.3 -14.5 13.0 371 147 B L H > S+ 0 0 18 -4,-0.3 4,-2.1 240,-0.2 -1,-0.2 0.895 113.0 53.3 -69.7 -40.9 -23.2 -15.0 10.5 372 148 B A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.906 110.6 46.1 -61.7 -43.9 -25.9 -14.6 13.2 373 149 B R H X S+ 0 0 10 -4,-2.3 4,-1.4 181,-0.3 -1,-0.2 0.812 111.8 52.0 -71.0 -30.0 -24.5 -11.3 14.5 374 150 B R H X S+ 0 0 43 -4,-1.4 4,-1.5 -5,-0.2 6,-0.4 0.859 111.6 47.5 -71.9 -35.6 -24.1 -10.0 11.0 375 151 B X H X S+ 0 0 8 -4,-2.1 4,-1.6 1,-0.2 -29,-0.4 0.897 113.3 47.2 -69.7 -41.7 -27.8 -10.9 10.2 376 152 B S H < S+ 0 0 0 -4,-2.2 -27,-0.5 1,-0.2 -2,-0.2 0.791 116.7 41.8 -73.4 -29.1 -29.1 -9.4 13.4 377 153 B L H < S+ 0 0 0 -4,-1.4 259,-0.2 -5,-0.2 -1,-0.2 0.790 124.1 32.8 -91.5 -31.2 -27.2 -6.1 13.1 378 154 B T H < S- 0 0 5 -4,-1.5 -3,-0.2 -5,-0.2 -2,-0.2 0.818 88.5-141.2 -93.0 -37.9 -27.6 -5.3 9.4 379 155 B G < + 0 0 1 -4,-1.6 -4,-0.1 -5,-0.4 -3,-0.1 0.618 48.0 151.7 83.8 14.9 -31.0 -6.9 8.8 380 156 B D - 0 0 70 -6,-0.4 -34,-0.4 -5,-0.1 2,-0.3 -0.305 48.2 -98.7 -80.5 161.4 -29.9 -8.2 5.5 381 157 B Y - 0 0 123 -36,-0.1 2,-0.5 -2,-0.1 -36,-0.2 -0.597 23.2-149.4 -83.2 136.6 -31.2 -11.3 3.7 382 158 B L E -R 344 0F 12 -38,-3.2 -38,-2.4 -2,-0.3 2,-0.0 -0.914 23.8-132.1-101.0 129.5 -29.4 -14.6 3.8 383 159 B S E > -R 343 0F 46 -2,-0.5 4,-1.8 -40,-0.2 -40,-0.2 -0.251 19.0-108.0 -79.8 168.5 -30.0 -16.7 0.6 384 160 B A H > S+ 0 0 6 -42,-0.6 4,-1.6 -44,-0.4 9,-0.2 0.919 119.2 47.4 -60.0 -47.3 -31.0 -20.3 0.3 385 161 B T H > S+ 0 0 91 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.852 112.8 48.5 -66.0 -36.1 -27.5 -21.4 -0.9 386 162 B D H > S+ 0 0 58 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.786 109.6 53.4 -73.1 -28.2 -25.8 -19.5 1.9 387 163 B A H X>S+ 0 0 0 -4,-1.8 5,-1.5 2,-0.2 6,-1.4 0.797 110.4 48.0 -72.8 -30.2 -28.2 -21.0 4.3 388 164 B L H <5S+ 0 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180 B P H > S+ 0 0 44 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.885 109.9 48.2 -57.8 -36.2 -42.6 -33.6 -2.4 405 181 B T H X S+ 0 0 4 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.892 110.9 50.3 -69.0 -40.5 -39.1 -33.6 -0.8 406 182 B A H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.888 110.6 48.2 -64.7 -41.7 -40.6 -32.8 2.6 407 183 B R H X S+ 0 0 103 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.790 108.8 55.6 -70.8 -28.2 -43.1 -35.7 2.4 408 184 B R H X S+ 0 0 134 -4,-1.3 4,-1.3 2,-0.2 -2,-0.2 0.921 109.2 45.4 -67.9 -45.8 -40.4 -38.0 1.3 409 185 B V H X S+ 0 0 4 -4,-2.1 4,-1.6 1,-0.2 3,-0.4 0.923 112.9 52.1 -60.0 -45.3 -38.3 -37.2 4.4 410 186 B A H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.879 104.5 56.4 -57.7 -41.6 -41.4 -37.6 6.4 411 187 B A H X S+ 0 0 58 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.821 103.7 53.6 -62.8 -33.9 -42.1 -41.0 4.9 412 188 B S H X S+ 0 0 36 -4,-1.3 4,-0.6 -3,-0.4 -1,-0.2 0.896 111.8 44.9 -67.3 -40.7 -38.6 -42.3 6.0 413 189 B I H >< S+ 0 0 0 -4,-1.6 3,-1.1 1,-0.2 -2,-0.2 0.908 111.8 51.4 -68.5 -43.8 -39.4 -41.3 9.5 414 190 B V H 3< S+ 0 0 36 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.756 105.7 60.6 -63.0 -22.7 -42.9 -42.8 9.3 415 191 B G H 3< S+ 0 0 62 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.720 96.4 75.2 -77.0 -22.4 -41.1 -45.9 8.1 416 192 B N S << S- 0 0 21 -3,-1.1 2,-0.6 -4,-0.6 -296,-0.2 -0.163 102.5 -68.2 -86.2 178.9 -39.0 -46.3 11.2 417 193 B N > - 0 0 68 -298,-1.4 4,-2.8 1,-0.2 5,-0.1 -0.584 44.5-157.3 -67.1 111.4 -39.7 -47.6 14.8 418 194 B Q H > S+ 0 0 32 -2,-0.6 4,-2.7 2,-0.2 5,-0.2 0.834 88.8 53.5 -67.0 -36.1 -42.0 -44.9 16.2 419 195 B N H > S+ 0 0 103 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.922 114.5 43.2 -61.7 -43.8 -41.3 -45.7 19.8 420 196 B A H > S+ 0 0 0 -301,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.910 113.7 51.5 -66.5 -45.2 -37.6 -45.3 19.1 421 197 B V H X S+ 0 0 0 -4,-2.8 4,-2.3 -302,-0.3 -2,-0.2 0.919 114.4 42.2 -58.1 -46.9 -38.1 -42.2 17.0 422 198 B R H X S+ 0 0 39 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.847 115.6 49.0 -73.2 -35.1 -40.2 -40.4 19.6 423 199 B A H X S+ 0 0 28 -4,-2.0 4,-1.4 -5,-0.2 -2,-0.2 0.871 113.5 47.8 -69.8 -37.8 -37.9 -41.5 22.5 424 200 B L H X S+ 0 0 2 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.929 112.8 46.3 -69.1 -46.8 -34.8 -40.4 20.5 425 201 B L H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.870 109.6 55.5 -64.4 -38.1 -36.2 -37.0 19.5 426 202 B A H X S+ 0 0 41 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.861 109.2 48.0 -60.2 -36.8 -37.4 -36.5 23.1 427 203 B S H X S+ 0 0 7 -4,-1.4 4,-3.0 2,-0.2 -2,-0.2 0.889 109.8 51.6 -70.8 -41.0 -33.8 -37.1 24.1 428 204 B Y H X S+ 0 0 5 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.941 112.2 46.1 -58.4 -49.8 -32.5 -34.6 21.5 429 205 B H H X S+ 0 0 42 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.882 112.9 51.6 -59.5 -40.7 -35.0 -32.0 22.8 430 206 B R H X S+ 0 0 142 -4,-1.9 4,-1.3 -5,-0.2 -2,-0.2 0.941 112.5 43.8 -61.7 -50.4 -33.9 -32.8 26.3 431 207 B I H < S+ 0 0 6 -4,-3.0 4,-0.5 1,-0.2 -2,-0.2 0.886 112.5 53.9 -63.3 -40.5 -30.2 -32.4 25.6 432 208 B D H >X S+ 0 0 17 -4,-2.7 3,-1.4 1,-0.2 4,-1.3 0.927 108.8 46.4 -61.7 -48.0 -30.8 -29.2 23.5 433 209 B E H 3X S+ 0 0 105 -4,-2.2 4,-1.8 1,-0.3 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