==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 25-FEB-11 2YAW . COMPND 2 MOLECULE: SULFUR OXYGENASE/REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACIDIANUS AMBIVALENS; . AUTHOR A.VEITH,T.URICH,K.SEYFARTH,J.PROTZE,C.FRAZAO,A.KLETZIN . 1842 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 66403.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1463 79.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 486 26.4 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 . 0 0.0 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 . 143 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 253 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 495 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 1.3 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 6 6 0 0 11 7 12 6 0 0 0 6 0 0 6 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 6 6 0 0 0 18 12 6 6 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 0 0 0 0 0 0 6 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 2 A P 0 0 68 0, 0.0 306,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 173.8 52.1 75.8 12.3 2 3 A K - 0 0 109 116,-0.1 2,-0.1 304,-0.1 303,-0.1 -0.631 360.0-153.5 -77.9 119.3 50.8 77.8 15.2 3 4 A P - 0 0 2 0, 0.0 115,-0.5 0, 0.0 2,-0.2 -0.444 19.1-109.5 -83.2 164.8 49.6 75.6 18.1 4 5 A Y E -A 79 0A 67 75,-3.4 75,-2.5 113,-0.1 2,-0.5 -0.619 32.6-136.0 -87.0 157.7 47.0 76.6 20.6 5 6 A V E -AB 78 116A 0 111,-2.7 111,-2.9 -2,-0.2 2,-0.5 -0.965 15.6-167.9-125.6 124.3 48.2 77.2 24.2 6 7 A A E -AB 77 115A 0 71,-2.7 71,-2.7 -2,-0.5 2,-0.6 -0.934 11.3-162.6-102.8 130.4 46.7 76.1 27.5 7 8 A I E -A 76 0A 0 107,-2.2 2,-0.6 -2,-0.5 69,-0.2 -0.902 4.4-158.6-118.3 104.6 48.1 77.8 30.5 8 9 A N E -A 75 0A 25 67,-2.5 67,-2.8 -2,-0.6 2,-0.4 -0.715 17.0-167.4 -79.7 117.3 47.5 76.2 33.9 9 10 A M E +AC 74 112A 16 103,-2.9 103,-2.3 -2,-0.6 2,-0.3 -0.881 15.2 155.1-110.9 138.3 48.0 78.8 36.6 10 11 A A E -A 73 0A 5 63,-1.8 63,-2.6 -2,-0.4 2,-0.4 -0.988 31.7-140.5-155.5 159.1 48.3 78.2 40.3 11 12 A E E +AC 72 109A 37 98,-2.8 97,-3.0 -2,-0.3 98,-2.0 -0.993 29.6 171.0-126.9 124.9 49.6 79.7 43.5 12 13 A L E -AC 71 107A 4 59,-3.0 59,-3.0 -2,-0.4 95,-0.2 -0.796 41.4 -75.5-128.8 167.9 51.3 77.5 46.1 13 14 A K E -A 70 0A 55 93,-2.0 2,-1.5 -2,-0.3 57,-0.3 -0.425 41.8-127.9 -63.2 134.6 53.3 77.7 49.3 14 15 A N + 0 0 49 55,-2.6 -1,-0.1 -2,-0.1 56,-0.1 -0.641 67.0 112.8 -85.9 81.3 56.9 78.7 48.7 15 16 A E S >> S- 0 0 59 -2,-1.5 3,-1.6 1,-0.1 4,-1.1 -0.968 80.5-101.2-147.4 159.8 58.5 75.8 50.7 16 17 A P H 3> S+ 0 0 95 0, 0.0 4,-2.6 0, 0.0 3,-0.4 0.855 117.1 62.8 -52.6 -41.0 60.7 72.8 49.9 17 18 A K H 3> S+ 0 0 112 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.833 101.4 54.0 -54.0 -33.5 57.7 70.4 50.2 18 19 A T H <> S+ 0 0 0 -3,-1.6 4,-0.9 2,-0.2 -1,-0.2 0.904 111.2 42.6 -67.7 -42.9 56.2 72.2 47.2 19 20 A F H X S+ 0 0 81 -4,-1.1 4,-1.6 -3,-0.4 -2,-0.2 0.792 108.8 59.4 -76.0 -28.7 59.2 71.8 44.9 20 21 A E H X S+ 0 0 125 -4,-2.6 4,-1.1 1,-0.2 -1,-0.2 0.898 106.4 48.3 -62.8 -39.3 59.6 68.2 46.0 21 22 A M H X>S+ 0 0 24 -4,-1.5 4,-2.3 -5,-0.2 5,-0.6 0.720 104.7 59.3 -76.7 -21.2 56.1 67.5 44.8 22 23 A F H X5S+ 0 0 31 -4,-0.9 4,-1.4 3,-0.2 -1,-0.2 0.898 105.9 49.4 -66.1 -41.1 56.9 69.3 41.5 23 24 A A H <5S+ 0 0 74 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.788 119.0 36.9 -71.1 -29.8 59.7 66.7 40.9 24 25 A S H X5S+ 0 0 76 -4,-1.1 4,-0.5 -5,-0.1 -2,-0.2 0.896 129.3 27.8 -86.7 -46.4 57.5 63.7 41.6 25 26 A V H X5S+ 0 0 14 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.853 108.8 65.6 -89.3 -41.5 54.1 64.8 40.1 26 27 A G H X S+ 0 0 65 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.889 111.9 51.5 -54.8 -39.6 56.9 64.6 35.2 28 29 A K H X S+ 0 0 109 -4,-0.5 4,-2.4 2,-0.2 5,-0.2 0.938 108.9 48.8 -64.2 -48.3 53.9 62.3 35.6 29 30 A V H X S+ 0 0 30 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.914 112.9 48.2 -56.9 -45.1 51.4 64.9 34.5 30 31 A C H X S+ 0 0 19 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.884 111.1 50.9 -66.2 -37.4 53.5 65.7 31.4 31 32 A M H < S+ 0 0 129 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.864 111.0 47.4 -69.1 -35.8 53.8 62.1 30.5 32 33 A V H >< S+ 0 0 10 -4,-2.4 3,-1.7 1,-0.2 4,-0.2 0.898 109.4 54.6 -68.5 -40.4 50.1 61.5 30.8 33 34 A T H >< S+ 0 0 6 -4,-2.4 3,-1.5 1,-0.3 -2,-0.2 0.856 99.1 62.7 -59.9 -35.6 49.5 64.6 28.7 34 35 A A T 3< S+ 0 0 56 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.502 79.5 85.1 -72.6 -2.3 51.8 63.1 26.0 35 36 A R T < S+ 0 0 129 -3,-1.7 -1,-0.3 -4,-0.1 -2,-0.2 0.760 77.3 80.6 -65.7 -23.8 49.4 60.2 25.5 36 37 A H S X S- 0 0 10 -3,-1.5 3,-1.9 -4,-0.2 48,-0.0 -0.719 75.9-143.9 -94.1 130.9 47.4 62.4 23.1 37 38 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.690 99.7 63.4 -68.0 -16.6 48.7 62.8 19.5 38 39 A G T 3 S+ 0 0 4 46,-0.1 42,-2.2 41,-0.1 2,-0.4 0.584 78.3 105.2 -80.3 -11.7 47.6 66.4 19.5 39 40 A F E < +D 79 0A 24 -3,-1.9 40,-0.2 40,-0.2 3,-0.1 -0.581 41.3 173.1 -72.1 123.5 50.1 67.2 22.2 40 41 A V E - 0 0 12 38,-2.4 264,-0.3 -2,-0.4 2,-0.2 0.298 52.5 -71.3-117.7 8.8 53.1 69.1 20.8 41 42 A G E -D 78 0A 0 37,-0.6 37,-3.0 259,-0.1 -1,-0.4 -0.779 42.4-112.5 134.8-175.1 55.0 70.0 23.9 42 43 A F E -DE 77 298A 33 256,-0.6 256,-3.0 35,-0.2 2,-0.3 -0.983 3.9-156.7-154.5 161.4 55.1 72.2 27.0 43 44 A Q E -DE 76 297A 0 33,-2.5 33,-2.3 -2,-0.3 2,-0.5 -0.843 18.5-160.8-146.3 105.8 56.9 75.1 28.8 44 45 A N E -DE 75 296A 8 252,-3.8 252,-1.0 -2,-0.3 251,-0.8 -0.765 9.8-164.1 -96.7 129.0 56.5 75.2 32.5 45 46 A H E -DE 74 294A 2 29,-2.0 29,-2.0 -2,-0.5 2,-0.5 -0.866 16.4-159.1-117.1 142.3 57.3 78.5 34.4 46 47 A I E -DE 73 293A 10 247,-2.0 247,-3.0 -2,-0.4 2,-0.5 -0.969 29.2-126.0-107.3 131.7 58.0 79.5 37.9 47 48 A Q E + E 0 292A 37 25,-2.8 25,-0.4 -2,-0.5 245,-0.3 -0.677 30.4 175.9 -75.2 124.2 57.3 83.2 38.6 48 49 A I E - 0 0 23 243,-2.5 16,-3.5 -2,-0.5 17,-0.7 0.638 57.8 -36.6-102.2 -16.9 60.5 84.6 40.2 49 50 A G E - E 0 291A 1 242,-1.4 242,-3.1 14,-0.3 2,-0.4 -0.983 55.8 -91.2 179.2-171.9 59.4 88.3 40.4 50 51 A I E - E 0 290A 2 11,-2.2 240,-0.2 -2,-0.3 13,-0.1 -0.976 35.4-114.4-129.7 137.8 57.5 91.3 39.1 51 52 A L - 0 0 11 238,-2.9 238,-0.4 -2,-0.4 10,-0.1 -0.633 26.0-158.3 -73.1 118.0 58.8 94.1 36.8 52 53 A P >> - 0 0 15 0, 0.0 5,-2.3 0, 0.0 4,-0.7 0.639 15.0-142.1 -77.9 -16.1 58.6 97.2 39.1 53 54 A F T >45 - 0 0 29 3,-0.2 3,-1.2 2,-0.2 2,-0.9 0.946 69.9 -55.0 54.6 53.4 58.5 99.9 36.3 54 55 A G T 345S- 0 0 68 1,-0.2 -1,-0.2 2,-0.1 475,-0.1 -0.753 115.4 -32.3 80.3-109.4 60.7 102.2 38.3 55 56 A N T >45S+ 0 0 61 -2,-0.9 3,-1.5 473,-0.3 -1,-0.2 0.087 106.2 112.0-128.3 23.4 58.8 102.4 41.5 56 57 A R T <<5S+ 0 0 25 -3,-1.2 -3,-0.2 -4,-0.7 2,-0.1 0.881 104.0 22.3 -58.2 -38.3 55.3 102.1 40.0 57 58 A Y T > > + 0 0 25 -16,-3.5 4,-2.1 -2,-0.5 3,-0.8 0.217 39.0 111.2-108.8 10.1 61.5 88.0 44.9 65 66 A T T 34 S+ 0 0 53 -17,-0.7 -1,-0.1 1,-0.2 -16,-0.1 0.810 74.5 52.9 -58.0 -35.4 62.1 84.3 45.4 66 67 A K T 34 S+ 0 0 189 -3,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.793 119.5 32.2 -73.9 -27.9 64.0 84.7 48.6 67 68 A E T <4 S+ 0 0 78 -3,-0.8 -2,-0.2 -4,-0.1 -1,-0.2 0.682 93.3 104.5-101.4 -21.5 61.3 86.8 50.3 68 69 A S < - 0 0 30 -4,-2.1 308,-0.1 1,-0.1 -4,-0.0 -0.379 51.7-158.7 -76.0 137.7 58.1 85.5 48.9 69 70 A S S S+ 0 0 31 -2,-0.1 -55,-2.6 -56,-0.1 2,-0.3 0.614 79.1 44.7 -84.6 -13.2 55.8 83.2 51.0 70 71 A T E -A 13 0A 27 -57,-0.3 2,-0.4 -56,-0.1 -57,-0.2 -0.876 67.2-146.7-127.4 160.8 54.1 81.8 47.8 71 72 A V E -A 12 0A 7 -59,-3.0 -59,-3.0 -2,-0.3 2,-0.5 -0.997 11.9-150.5-127.4 133.7 55.2 80.6 44.4 72 73 A R E -A 11 0A 45 -2,-0.4 -25,-2.8 -25,-0.4 2,-0.4 -0.887 11.3-161.5-105.7 131.7 53.1 81.1 41.2 73 74 A V E -AD 10 46A 6 -63,-2.6 -63,-1.8 -2,-0.5 2,-0.4 -0.892 10.9-170.7-114.2 143.4 53.3 78.5 38.4 74 75 A L E -AD 9 45A 1 -29,-2.0 -29,-2.0 -2,-0.4 2,-0.8 -0.903 9.9-167.5-132.7 103.5 52.2 79.0 34.7 75 76 A Q E -AD 8 44A 48 -67,-2.8 -67,-2.5 -2,-0.4 2,-0.5 -0.820 3.8-160.3-100.4 106.3 52.3 75.7 32.8 76 77 A Y E -AD 7 43A 0 -33,-2.3 -33,-2.5 -2,-0.8 2,-0.4 -0.741 8.3-175.7 -82.3 125.8 52.0 76.1 29.0 77 78 A T E -AD 6 42A 11 -71,-2.7 -71,-2.7 -2,-0.5 2,-0.4 -0.980 16.6-142.0-115.4 139.1 50.9 73.0 27.1 78 79 A F E -AD 5 41A 0 -37,-3.0 -38,-2.4 -2,-0.4 -37,-0.6 -0.816 18.5-173.7-107.1 140.7 50.8 73.3 23.3 79 80 A W E -AD 4 39A 2 -75,-2.5 -75,-3.4 -2,-0.4 -40,-0.2 -0.990 33.9-139.5-139.4 136.1 48.1 71.7 21.1 80 81 A K S S+ 0 0 105 -42,-2.2 2,-0.4 -2,-0.4 -1,-0.1 0.910 104.9 11.8 -54.8 -43.4 47.5 71.2 17.4 81 82 A D S >> S- 0 0 57 -43,-0.2 3,-2.1 1,-0.1 4,-0.7 -0.999 75.4-131.8-137.3 135.1 43.9 72.0 18.1 82 83 A W H >> S+ 0 0 45 -2,-0.4 4,-1.3 1,-0.3 3,-0.7 0.802 108.0 66.1 -58.2 -27.8 42.6 73.4 21.4 83 84 A K H 3> S+ 0 0 116 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.772 90.6 64.6 -62.8 -26.9 39.9 70.7 21.4 84 85 A D H <> S+ 0 0 28 -3,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.876 98.1 53.9 -62.0 -39.6 42.8 68.2 21.8 85 86 A H H < S+ 0 0 86 -4,-1.5 3,-0.8 1,-0.2 4,-0.2 0.876 112.9 50.1 -72.6 -38.2 38.6 63.7 29.7 91 92 A Q H 3< S+ 0 0 114 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.800 123.5 31.8 -68.9 -28.8 40.4 60.6 28.2 92 93 A N T 3X S+ 0 0 19 -4,-1.9 4,-2.8 -5,-0.2 3,-0.5 0.040 80.7 125.8-118.1 25.6 43.0 60.6 31.0 93 94 A W H <> + 0 0 13 -3,-0.8 4,-2.8 1,-0.2 5,-0.5 0.874 68.3 57.3 -54.2 -47.1 40.8 62.0 33.8 94 95 A S H > S+ 0 0 54 -4,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.896 116.0 36.2 -53.8 -46.4 41.5 59.2 36.3 95 96 A Y H > S+ 0 0 136 -3,-0.5 4,-2.0 2,-0.2 -2,-0.2 0.957 119.1 48.3 -70.6 -53.0 45.2 59.7 36.1 96 97 A L H X S+ 0 0 11 -4,-2.8 4,-3.0 1,-0.2 5,-0.3 0.933 111.8 46.4 -57.2 -54.7 45.2 63.5 35.8 97 98 A F H X S+ 0 0 4 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.910 113.7 48.0 -57.8 -44.7 42.8 64.3 38.6 98 99 A R H X S+ 0 0 111 -4,-1.1 4,-0.7 -5,-0.5 -1,-0.2 0.832 113.8 48.6 -67.8 -31.4 44.5 62.0 41.1 99 100 A L H >< S+ 0 0 25 -4,-2.0 3,-0.9 2,-0.2 4,-0.2 0.948 112.3 46.3 -70.3 -50.6 47.9 63.4 40.1 100 101 A C H >< S+ 0 0 51 -4,-3.0 3,-1.1 1,-0.2 4,-0.2 0.756 103.6 66.4 -65.4 -22.4 46.8 67.1 40.5 101 102 A Y H >< S+ 0 0 62 -4,-1.7 3,-2.2 -5,-0.3 4,-0.3 0.834 87.4 66.0 -66.9 -33.3 45.1 66.2 43.8 102 103 A S T << S+ 0 0 57 -3,-0.9 -1,-0.2 -4,-0.7 3,-0.2 0.594 92.1 63.8 -67.4 -8.3 48.5 65.5 45.4 103 104 A C T X> S+ 0 0 19 -3,-1.1 3,-2.4 -4,-0.2 4,-0.7 0.613 78.0 97.0 -81.3 -14.5 49.3 69.2 45.0 104 105 A A G X4 S+ 0 0 9 -3,-2.2 3,-1.7 1,-0.3 262,-1.0 0.830 71.9 57.8 -44.1 -54.2 46.3 69.9 47.3 105 106 A S G 34 S+ 0 0 43 1,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.645 113.7 41.2 -58.0 -15.6 48.3 70.3 50.6 106 107 A Q G <4 S+ 0 0 4 -3,-2.4 -93,-2.0 261,-0.1 -1,-0.3 0.497 88.5 116.1-109.7 -6.9 50.3 73.1 48.9 107 108 A M E << +C 12 0A 14 -3,-1.7 260,-2.1 -4,-0.7 261,-0.8 -0.412 22.0 159.7 -74.9 135.2 47.6 75.0 47.0 108 109 A I E S+ 0 0 8 -97,-3.0 2,-0.3 1,-0.5 -96,-0.2 0.630 74.7 2.5-114.8 -37.4 46.6 78.5 47.9 109 110 A W E S-C 11 0A 32 -98,-2.0 -98,-2.8 487,-0.0 -1,-0.5 -0.990 92.3 -25.3-151.3 148.0 44.8 79.5 44.6 110 111 A G E - 0 0 2 -2,-0.3 -100,-0.2 1,-0.3 2,-0.1 -0.468 15.1-147.9 100.2-174.7 44.0 77.8 41.4 111 112 A P E + 0 0 9 0, 0.0 2,-0.4 0, 0.0 -1,-0.3 0.482 46.4 163.5 -81.2 150.7 44.1 75.9 39.2 112 113 A W E -C 9 0A 36 -103,-2.3 -103,-2.9 -3,-0.1 96,-0.1 -0.996 13.3-172.3-131.9 123.6 42.9 78.3 36.5 113 114 A E - 0 0 8 -2,-0.4 91,-2.5 91,-0.4 -105,-0.2 -0.656 3.0-177.7-129.6 81.3 43.5 77.3 32.9 114 115 A P E - F 0 203A 2 0, 0.0 -107,-2.2 0, 0.0 2,-0.4 -0.311 21.4-134.2 -66.8 155.6 42.7 79.8 30.2 115 116 A I E -BF 6 202A 2 87,-3.1 86,-2.5 -109,-0.2 87,-1.2 -0.908 22.9-167.0-114.2 146.2 43.2 78.7 26.5 116 117 A Y E -BF 5 200A 6 -111,-2.9 -111,-2.7 -2,-0.4 2,-0.4 -0.957 19.1-144.6-134.6 146.3 44.9 80.9 23.9 117 118 A E E - F 0 199A 68 82,-2.7 82,-3.1 -2,-0.3 2,-0.7 -0.855 28.3-125.2 -98.8 147.3 45.4 81.2 20.2 118 119 A I E + F 0 198A 11 -115,-0.5 80,-0.2 -2,-0.4 3,-0.1 -0.852 30.0 174.6 -90.6 115.5 48.7 82.5 19.0 119 120 A I E S+ 0 0 48 78,-2.0 2,-0.3 -2,-0.7 -1,-0.1 0.491 72.5 20.9 -98.5 -6.6 48.1 85.5 16.7 120 121 A Y E + F 0 197A 25 77,-0.8 77,-2.3 60,-0.0 2,-0.4 -0.906 65.9 178.6-160.1 133.2 51.8 86.3 16.4 121 122 A A E + F 0 196A 27 -2,-0.3 75,-0.2 75,-0.2 2,-0.2 -0.968 19.8 162.8-144.6 125.5 55.0 84.3 16.9 122 123 A N E + F 0 195A 58 73,-3.3 73,-1.9 -2,-0.4 74,-0.0 -0.679 37.6 142.0-130.8 74.3 58.7 85.0 16.5 123 124 A M - 0 0 4 71,-0.2 71,-0.2 -2,-0.2 2,-0.1 -0.975 35.2-152.5-127.8 121.5 60.1 82.1 18.5 124 125 A P - 0 0 21 0, 0.0 2,-0.1 0, 0.0 179,-0.1 -0.321 31.1 -92.3 -84.4 168.3 63.2 80.1 17.7 125 126 A I - 0 0 61 177,-0.1 27,-0.4 1,-0.1 2,-0.2 -0.438 48.7-106.5 -68.1 154.7 64.0 76.5 18.6 126 127 A N - 0 0 16 173,-0.3 2,-0.3 -2,-0.1 27,-0.2 -0.610 40.7-180.0 -80.2 146.5 66.0 76.1 21.9 127 128 A T - 0 0 9 25,-1.3 2,-0.2 -2,-0.2 5,-0.0 -0.994 23.5-129.2-143.5 148.0 69.6 75.2 21.7 128 129 A E >> - 0 0 50 -2,-0.3 3,-2.4 25,-0.2 4,-0.6 -0.563 37.4-104.7 -85.8 159.3 72.3 74.7 24.4 129 130 A M T 34 S+ 0 0 99 1,-0.3 3,-0.4 -2,-0.2 4,-0.3 0.764 121.6 61.4 -54.7 -24.1 75.7 76.5 24.1 130 131 A T T 34 S+ 0 0 112 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.646 98.9 56.8 -76.4 -14.9 77.1 73.1 22.9 131 132 A D T X> S+ 0 0 66 -3,-2.4 4,-1.9 1,-0.2 3,-0.6 0.703 77.5 86.4 -92.4 -21.0 74.8 73.0 19.8 132 133 A F H 3X S+ 0 0 88 -4,-0.6 4,-2.9 -3,-0.4 5,-0.2 0.791 83.9 58.7 -61.0 -32.7 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68 D E T <4 S+ 0 0 79 -3,-0.8 -2,-0.2 -4,-0.1 -1,-0.2 0.685 93.3 104.2-101.5 -22.0 54.6 88.1 97.8 992 69 D S < - 0 0 28 -4,-2.2 616,-0.1 1,-0.1 -4,-0.0 -0.375 51.7-158.7 -76.4 137.9 52.9 86.5 100.8 993 70 D S S S+ 0 0 31 -2,-0.1 -55,-2.6 -56,-0.1 2,-0.3 0.599 79.1 45.8 -85.3 -12.5 54.4 83.5 102.6 994 71 D T E -D 937 0F 29 -57,-0.3 2,-0.4 -56,-0.1 -57,-0.2 -0.881 67.1-147.1-127.1 160.7 51.0 82.5 104.0 995 72 D V E -D 936 0F 9 -59,-3.1 -59,-3.0 -2,-0.3 2,-0.5 -0.998 11.5-151.4-127.2 132.4 47.4 82.1 102.8 996 73 D R E -D 935 0F 45 -2,-0.4 -25,-2.8 -25,-0.4 2,-0.4 -0.873 11.2-161.9-104.4 132.4 44.3 82.8 104.9 997 74 D V E -DG 934 970F 6 -63,-2.6 -63,-1.7 -2,-0.5 2,-0.4 -0.901 10.7-170.3-115.7 142.6 41.1 80.9 104.2 998 75 D L E -DG 933 969F 0 -29,-2.1 -29,-2.0 -2,-0.4 2,-0.8 -0.902 9.7-167.7-132.0 103.6 37.5 81.8 105.4 999 76 D Q E -DG 932 968F 50 -67,-2.8 -67,-2.5 -2,-0.4 2,-0.5 -0.826 3.9-160.3-100.4 108.0 35.0 79.1 104.7 1000 77 D Y E -DG 931 967F 0 -33,-2.4 -33,-2.4 -2,-0.8 2,-0.4 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1025 102 D Y H >< S+ 0 0 63 -4,-1.7 3,-2.3 -5,-0.3 4,-0.3 0.829 87.5 66.3 -66.7 -33.0 43.8 66.5 110.0 1026 103 D S T << S+ 0 0 52 -3,-0.9 3,-0.3 -4,-0.7 -1,-0.2 0.610 92.0 63.7 -67.5 -8.9 45.4 66.1 106.5 1027 104 D C T X> S+ 0 0 18 -3,-1.1 3,-2.4 -4,-0.2 4,-0.7 0.612 78.2 97.1 -80.9 -14.7 45.7 69.9 106.5 1028 105 D A G X4 S+ 0 0 10 -3,-2.3 3,-1.7 1,-0.3 570,-1.0 0.830 71.9 57.7 -43.8 -54.5 48.0 69.6 109.5 1029 106 D S G 34 S+ 0 0 45 1,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.644 113.8 41.2 -57.2 -15.6 51.3 69.8 107.6 1030 107 D Q G <4 S+ 0 0 4 -3,-2.4 -93,-2.0 569,-0.1 -1,-0.3 0.493 88.5 115.9-110.8 -6.5 50.3 73.2 106.1 1031 108 D M E << +F 936 0F 12 -3,-1.7 568,-2.2 -4,-0.7 569,-0.7 -0.430 22.2 160.0 -75.1 135.1 48.7 74.8 109.2 1032 109 D I E S+ 0 0 7 -97,-3.0 2,-0.3 1,-0.5 -96,-0.2 0.623 74.7 2.5-114.9 -36.9 50.2 77.9 110.8 1033 110 D W E S-F 935 0F 32 -98,-2.0 -98,-2.8 795,-0.0 -1,-0.5 -0.992 92.3 -24.6-152.0 148.7 47.1 79.2 112.7 1034 111 D G E - 0 0 2 -2,-0.3 -100,-0.2 1,-0.3 2,-0.1 -0.460 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0 0 11 -4,-1.4 3,-2.1 -5,-0.4 4,-1.8 0.646 80.8 82.4 -63.3 -14.9 56.8 70.6 126.7 1805 266 F R H <> S+ 0 0 59 -3,-1.7 4,-2.0 -4,-0.3 -1,-0.3 0.830 82.0 61.8 -61.9 -30.3 57.4 69.6 130.4 1806 267 F V H <4 S+ 0 0 15 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.579 115.2 34.4 -71.9 -7.3 53.7 70.4 131.0 1807 268 F L H <4 S+ 0 0 31 -3,-2.1 -2,-0.2 -4,-0.1 -1,-0.2 0.613 122.9 41.7-114.1 -22.7 53.0 67.6 128.5 1808 269 F L H < S+ 0 0 130 -4,-1.8 -3,-0.2 -7,-0.2 -2,-0.2 0.670 97.8 72.0-105.6 -23.0 55.8 65.1 129.1 1809 270 F Y S >X S- 0 0 88 -4,-2.0 4,-2.7 -5,-0.2 3,-0.9 -0.863 71.4-150.5-100.7 104.7 56.1 65.0 132.9 1810 271 F P H 3> S+ 0 0 91 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.826 93.3 52.8 -44.7 -48.2 53.0 63.1 134.3 1811 272 F E H 3> S+ 0 0 107 1,-0.2 4,-1.1 2,-0.2 -5,-0.1 0.907 116.6 38.0 -54.0 -47.9 53.0 65.0 137.6 1812 273 F L H <> S+ 0 0 0 -3,-0.9 4,-2.7 -7,-0.2 -1,-0.2 0.797 110.1 62.1 -78.4 -29.3 53.0 68.4 135.9 1813 274 F R H X S+ 0 0 65 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.901 100.7 53.7 -61.5 -41.8 50.7 67.2 133.1 1814 275 F Q H X S+ 0 0 126 -4,-2.2 4,-0.6 -5,-0.2 -1,-0.2 0.921 112.3 43.7 -61.5 -44.3 48.0 66.5 135.6 1815 276 F V H >< S+ 0 0 25 -4,-1.1 3,-1.0 1,-0.2 4,-0.5 0.919 112.0 51.6 -70.2 -38.7 48.1 70.0 137.0 1816 277 F H H >X S+ 0 0 14 -4,-2.7 4,-2.0 1,-0.3 3,-1.1 0.786 96.4 70.5 -67.5 -26.3 48.3 71.7 133.6 1817 278 F D H 3X S+ 0 0 31 -4,-1.9 4,-1.9 1,-0.3 -680,-0.4 0.836 90.7 61.0 -57.5 -32.3 45.2 69.7 132.5 1818 279 F E H << S+ 0 0 71 -3,-1.0 -1,-0.3 -4,-0.6 4,-0.2 0.813 104.1 49.2 -65.1 -29.2 43.3 71.9 134.9 1819 280 F V H X4 S+ 0 0 0 -3,-1.1 3,-2.0 -4,-0.5 4,-0.3 0.952 108.2 52.9 -70.3 -50.2 44.4 74.9 132.8 1820 281 F L H >< S+ 0 0 4 -4,-2.0 3,-1.4 1,-0.3 -2,-0.2 0.832 99.7 62.5 -55.6 -37.7 43.4 73.2 129.6 1821 282 F D T 3< S+ 0 0 51 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.637 101.2 53.8 -65.2 -13.7 39.8 72.5 130.8 1822 283 F T T < S+ 0 0 0 -3,-2.0 -114,-3.2 -4,-0.2 -1,-0.2 0.469 85.8 114.2 -99.1 -3.0 39.1 76.2 131.2 1823 284 F L E < + D 01707I 4 -3,-1.4 -116,-0.3 -4,-0.3 -665,-0.2 -0.490 35.7 174.8 -88.7 137.4 40.0 77.4 127.7 1824 285 F V E S+ 0 0 2 -118,-3.1 2,-0.3 1,-0.4 -117,-0.2 0.784 86.8 13.6 -88.0 -42.8 37.9 78.9 124.9 1825 286 F Y E S- D 01706I 28 -119,-1.6 -119,-2.2 -789,-0.0 -1,-0.4 -0.987 94.7 -42.6-136.9 144.9 41.0 79.5 122.8 1826 287 F G E - 0 0 5 -2,-0.3 -121,-0.1 1,-0.3 2,-0.1 -0.378 20.0-138.9 99.2-177.0 44.6 78.3 123.0 1827 288 F P E + 0 0 9 0, 0.0 2,-0.5 0, 0.0 -1,-0.3 0.363 52.3 164.0 -76.6 138.2 47.2 77.7 124.0 1828 289 F Y E - D 01704I 3 -124,-1.5 -124,-3.1 -3,-0.2 2,-0.6 -0.986 20.6-157.9-121.0 121.2 48.7 79.4 120.9 1829 290 F I E - D 01703I 7 -2,-0.5 -238,-2.9 -238,-0.4 2,-0.3 -0.868 9.0-166.9-115.9 112.4 52.4 80.0 121.4 1830 291 F R E -AD15901702I 24 -128,-2.6 -128,-3.1 -2,-0.6 2,-0.6 -0.726 20.0-133.5 -90.1 141.0 54.5 82.6 119.6 1831 292 F I E -AD15891701I 0 -242,-3.0 -243,-2.5 -2,-0.3 -242,-1.4 -0.858 30.9-170.0 -93.8 121.2 58.3 82.6 119.8 1832 293 F L E -AD15871700I 0 -132,-3.0 -132,-2.9 -2,-0.6 -245,-0.2 -0.874 22.3-148.1-118.4 148.9 59.6 86.1 120.4 1833 294 F N E -A 1586 0I 35 -247,-3.0 -247,-2.0 -2,-0.3 2,-1.6 -0.954 13.8-148.2-110.5 113.0 63.0 87.7 120.4 1834 295 F P E +A 1585 0I 0 0, 0.0 -138,-2.6 0, 0.0 -137,-0.3 -0.625 35.2 158.5 -79.8 87.1 63.3 90.5 123.0 1835 296 F M E + 0 0 79 -2,-1.6 2,-0.5 -251,-0.9 -250,-0.1 0.928 58.9 33.7 -80.9 -47.8 65.8 92.6 121.0 1836 297 F M E S+A 1584 0I 73 -252,-1.0 -252,-3.7 -3,-0.2 2,-0.3 -0.938 74.9 149.7-116.6 129.3 65.3 96.1 122.4 1837 298 F E E -A 1583 0I 11 -2,-0.5 2,-0.7 -254,-0.2 -254,-0.3 -0.997 48.6-132.1-156.8 153.7 64.6 96.7 126.1 1838 299 F G E > -A 1582 0I 5 -256,-3.1 3,-1.7 -2,-0.3 -256,-0.6 -0.911 27.9-163.7-105.6 98.5 64.9 98.9 129.1 1839 300 F T T > S+ 0 0 28 -2,-0.7 3,-1.7 1,-0.3 4,-0.5 0.638 72.5 84.4 -64.9 -15.8 66.0 96.3 131.6 1840 301 F F T 3> + 0 0 94 1,-0.3 4,-1.9 2,-0.2 3,-0.3 0.621 68.8 80.0 -67.0 -11.6 65.2 98.5 134.6 1841 302 F W H <> S+ 0 0 0 -3,-1.7 4,-2.1 1,-0.2 -1,-0.3 0.870 91.6 53.1 -61.3 -32.1 61.5 97.5 134.5 1842 303 F R H <> S+ 0 0 0 -3,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.780 103.1 57.0 -73.1 -26.6 62.6 94.3 136.3 1843 304 F E H 4 S+ 0 0 116 -4,-0.5 -2,-0.2 -3,-0.3 -1,-0.2 0.904 109.1 45.4 -67.6 -41.4 64.3 96.5 138.9 1844 305 F Y H >< S+ 0 0 36 -4,-1.9 3,-1.0 -264,-0.3 -2,-0.2 0.911 113.3 52.3 -65.7 -41.0 61.0 98.2 139.6 1845 306 F L H 3< S+ 0 0 14 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.936 110.6 45.1 -57.4 -50.8 59.3 94.8 139.6 1846 307 F N T 3< 0 0 91 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.147 360.0 360.0 -91.4 20.3 61.7 93.2 142.2 1847 308 F E < 0 0 162 -3,-1.0 -4,-0.0 -306,-0.2 -3,-0.0 -0.806 360.0 360.0 -99.1 360.0 61.8 96.0 144.7