==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 11-JAN-12 4D97 . COMPND 2 MOLECULE: D-CYSTEINE DESULFHYDRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR S.R.BHARATH,B.SHVETA,K.H.RAJESH,H.S.SAVITHRI,M.R.N.MURTHY . 1306 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43735.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 920 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 152 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 1.2 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 . 93 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 132 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 455 34.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 33 2.5 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 1 7 0 4 4 0 0 0 0 13 12 0 0 1 6 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 12 4 4 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 4 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 A M > 0 0 115 0, 0.0 3,-1.5 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 -54.3 17.0 11.0 15.5 2 2 A P T 3 + 0 0 54 0, 0.0 3,-0.4 0, 0.0 207,-0.0 0.821 360.0 46.2 -67.7 -29.4 14.5 11.7 12.7 3 3 A L T > S+ 0 0 12 1,-0.2 3,-1.6 2,-0.1 4,-0.2 0.012 75.2 121.5 -97.4 28.4 14.4 15.5 13.2 4 4 A H G X + 0 0 112 -3,-1.5 3,-1.7 1,-0.3 4,-0.3 0.708 56.9 74.2 -68.1 -22.0 18.2 15.8 13.4 5 5 A H G > S+ 0 0 63 -3,-0.4 3,-1.0 237,-0.3 4,-0.4 0.641 75.5 81.3 -66.6 -13.4 18.4 18.2 10.4 6 6 A L G X S+ 0 0 10 -3,-1.6 3,-0.9 1,-0.2 -1,-0.3 0.775 79.3 70.5 -57.5 -28.4 17.0 20.9 12.7 7 7 A T G < S+ 0 0 128 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.849 88.4 60.4 -55.6 -40.2 20.6 21.3 14.0 8 8 A R G < S+ 0 0 114 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.2 0.707 86.9 86.6 -69.3 -20.7 21.7 22.9 10.7 9 9 A F S < S- 0 0 25 -3,-0.9 2,-0.1 -4,-0.4 52,-0.0 -0.719 82.5-127.3 -82.8 121.2 19.3 25.8 11.1 10 10 A P - 0 0 62 0, 0.0 2,-0.3 0, 0.0 51,-0.2 -0.392 32.9-176.8 -64.2 141.3 20.8 28.7 13.2 11 11 A R - 0 0 102 49,-0.1 46,-0.2 48,-0.1 2,-0.2 -0.998 22.7-137.0-144.5 140.9 18.6 29.8 16.1 12 12 A L - 0 0 43 44,-2.2 2,-0.8 -2,-0.3 48,-0.1 -0.587 30.6-115.8 -84.6 156.0 18.7 32.5 18.8 13 13 A E + 0 0 149 -2,-0.2 -1,-0.0 1,-0.2 -2,-0.0 -0.848 55.7 140.6-100.0 105.4 17.7 31.6 22.3 14 14 A F S S+ 0 0 13 -2,-0.8 31,-0.2 2,-0.1 -1,-0.2 0.620 75.2 36.6-110.4 -26.1 14.5 33.5 23.3 15 15 A I S S- 0 0 18 1,-0.2 2,-0.6 28,-0.1 -2,-0.1 0.866 77.6-173.2 -98.1 -46.2 12.6 30.8 25.3 16 16 A G + 0 0 38 27,-0.1 -1,-0.2 3,-0.0 -2,-0.1 -0.785 57.8 32.3 87.7-120.1 15.3 28.9 27.1 17 17 A A S S- 0 0 71 -2,-0.6 0, 0.0 1,-0.1 0, 0.0 -0.275 102.4 -80.0 -70.5 154.0 13.9 25.8 28.9 18 18 A P - 0 0 78 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.259 53.7-110.6 -51.3 138.1 10.9 23.8 27.6 19 19 A T - 0 0 5 1,-0.1 21,-0.1 -3,-0.1 24,-0.1 -0.387 46.1 -81.8 -71.5 153.5 7.6 25.6 28.4 20 20 A P - 0 0 44 0, 0.0 19,-3.2 0, 0.0 2,-0.5 -0.212 31.9-158.1 -60.1 141.7 5.3 23.9 30.9 21 21 A L E -A 38 0A 36 17,-0.2 2,-0.3 -3,-0.1 17,-0.2 -0.984 27.5-177.2-115.8 114.5 3.0 21.0 29.9 22 22 A E E -A 37 0A 41 15,-2.6 15,-2.8 -2,-0.5 2,-0.3 -0.860 29.1-125.1-121.9 145.3 0.3 20.9 32.6 23 23 A Y E -A 36 0A 88 -2,-0.3 13,-0.2 13,-0.2 288,-0.0 -0.632 19.3-145.5 -80.1 143.4 -2.7 18.8 33.4 24 24 A L > + 0 0 1 11,-2.7 4,-2.6 -2,-0.3 11,-0.3 -0.784 22.4 175.5-109.9 87.2 -6.0 20.8 33.8 25 25 A P H > S+ 0 0 65 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.839 76.3 44.2 -67.5 -34.9 -7.9 19.0 36.6 26 26 A R H > S+ 0 0 75 252,-0.2 4,-2.0 2,-0.2 5,-0.1 0.901 116.4 45.6 -78.5 -41.1 -10.9 21.3 36.9 27 27 A L H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.907 113.8 51.1 -61.6 -43.0 -11.4 21.7 33.1 28 28 A S H X>S+ 0 0 5 -4,-2.6 4,-1.7 7,-0.2 5,-1.0 0.898 108.9 51.5 -60.9 -42.8 -11.0 17.9 32.8 29 29 A D H <5S+ 0 0 140 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.907 114.1 43.4 -59.8 -43.8 -13.6 17.4 35.5 30 30 A Y H <5S+ 0 0 148 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.888 118.6 41.9 -70.5 -41.2 -16.1 19.6 33.8 31 31 A L H <5S- 0 0 25 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.655 101.3-128.7 -84.7 -17.1 -15.5 18.3 30.2 32 32 A G T <5S+ 0 0 70 -4,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.738 78.0 90.6 76.1 28.4 -15.4 14.6 31.2 33 33 A R S + b 0 314A 12 -19,-3.2 3,-1.5 -2,-0.7 10,-0.1 -0.394 46.4 144.8 -88.9 64.3 2.0 26.7 27.9 40 40 A D T 3 + 0 0 2 -2,-1.8 9,-1.2 274,-0.7 -1,-0.2 0.484 66.4 75.0 -75.7 -0.1 3.6 28.5 25.0 41 41 A D T 3 S+ 0 0 26 273,-0.2 2,-0.9 1,-0.2 -1,-0.3 0.612 83.5 71.9 -80.2 -15.7 1.9 31.6 26.4 42 42 A V < + 0 0 27 -3,-1.5 -1,-0.2 272,-0.2 6,-0.1 -0.725 63.6 133.4-106.5 80.9 4.5 31.7 29.1 43 43 A T - 0 0 10 -2,-0.9 4,-0.2 2,-0.2 5,-0.1 -0.872 62.9-113.5-122.7 161.1 7.8 32.8 27.5 44 44 A P S S+ 0 0 13 0, 0.0 2,-0.6 0, 0.0 3,-0.2 0.686 86.0 90.1 -73.4 -16.7 10.2 35.5 28.8 45 45 A I S > S- 0 0 8 -31,-0.2 3,-2.3 1,-0.2 -2,-0.2 -0.722 106.5 -45.1 -95.5 118.3 9.7 38.0 26.1 46 46 A A T 3 S- 0 0 4 560,-0.7 -1,-0.2 -2,-0.6 40,-0.1 0.781 120.0 -35.6 34.3 63.2 7.1 40.8 26.3 47 47 A M T 3 S- 0 0 48 -3,-0.2 -1,-0.3 -4,-0.2 271,-0.2 0.519 98.1-117.9 73.9 9.5 4.1 38.7 27.5 48 48 A G < + 0 0 0 -3,-2.3 269,-0.3 -5,-0.1 -7,-0.2 0.117 43.0 156.9 74.4-173.5 4.9 35.6 25.5 49 49 A G > - 0 0 2 -9,-1.2 3,-0.9 1,-0.1 4,-0.4 -0.539 55.0 -74.1 131.5 167.8 3.3 33.5 22.7 50 50 A N T >> S+ 0 0 0 265,-2.6 3,-1.1 1,-0.2 4,-0.9 0.803 114.3 70.1 -63.6 -32.3 3.8 31.1 19.8 51 51 A X H 3> S+ 0 0 0 264,-0.3 4,-2.2 1,-0.3 -1,-0.2 0.774 87.3 67.2 -63.2 -26.2 5.3 33.7 17.5 52 52 A L H <> S+ 0 0 0 -3,-0.9 4,-1.5 1,-0.2 -1,-0.3 0.867 94.4 56.0 -62.1 -38.5 8.5 33.8 19.6 53 53 A R H <> S+ 0 0 4 -3,-1.1 4,-0.6 -4,-0.4 -1,-0.2 0.887 109.7 46.6 -60.3 -40.4 9.4 30.2 18.6 54 54 A K H >X S+ 0 0 0 -4,-0.9 4,-2.3 1,-0.2 3,-1.1 0.911 107.0 58.0 -66.3 -43.2 9.3 31.2 15.0 55 55 A L H 3X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.3 5,-0.5 0.775 92.2 68.6 -61.6 -29.1 11.3 34.4 15.7 56 56 A E H 3X S+ 0 0 4 -4,-1.5 -44,-2.2 1,-0.2 4,-0.7 0.894 113.1 31.1 -54.4 -40.9 14.2 32.3 17.1 57 57 A F H S+ 0 0 1 -4,-2.0 5,-2.2 1,-0.2 4,-0.3 0.925 109.6 47.9 -58.4 -46.9 18.2 38.0 9.7 63 63 A L H ><5S+ 0 0 73 -4,-2.6 3,-1.1 1,-0.2 -1,-0.2 0.863 108.2 54.3 -65.1 -38.4 21.4 38.4 11.7 64 64 A R H 3<5S+ 0 0 114 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.791 107.0 53.3 -62.1 -30.1 23.3 35.9 9.4 65 65 A E T 3<5S- 0 0 121 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.512 116.1-116.1 -81.0 -7.7 22.2 38.2 6.5 66 66 A G T < 5 + 0 0 36 -3,-1.1 -3,-0.2 -4,-0.3 -2,-0.1 0.648 59.6 160.0 76.8 16.6 23.6 41.3 8.1 67 67 A A < - 0 0 9 -5,-2.2 -1,-0.2 -6,-0.2 3,-0.1 -0.420 26.8-176.2 -71.1 145.0 20.1 42.8 8.4 68 68 A D + 0 0 57 84,-2.2 26,-2.7 1,-0.1 2,-0.3 0.270 65.7 59.0-122.1 6.3 19.6 45.6 10.9 69 69 A T E -fg 94 153B 0 83,-1.4 85,-2.3 24,-0.2 2,-0.5 -1.000 63.1-152.3-143.9 132.5 15.9 46.1 10.4 70 70 A L E -fg 95 154B 1 24,-2.7 26,-2.7 -2,-0.3 2,-0.5 -0.937 13.5-171.2-107.9 126.2 12.8 43.8 10.8 71 71 A I E +fg 96 155B 0 83,-2.7 85,-3.6 -2,-0.5 2,-0.3 -0.974 18.3 146.4-118.4 130.5 9.8 44.4 8.6 72 72 A T E -f 97 0B 0 24,-1.9 26,-2.5 -2,-0.5 2,-0.3 -0.900 28.1-136.9-149.6 178.4 6.5 42.6 9.1 73 73 A A E +f 98 0B 0 83,-0.4 86,-0.6 -2,-0.3 2,-0.3 -0.941 30.4 121.6-140.8 159.5 2.7 43.0 8.9 74 74 A G E -f 99 0B 2 24,-2.1 26,-1.5 -2,-0.3 -2,-0.0 -0.971 57.4 -44.9 172.4-174.2 -0.5 42.2 10.8 75 75 A A E > -f 100 0B 4 -2,-0.3 3,-2.2 24,-0.2 26,-0.2 -0.285 60.2-102.9 -66.8 159.4 -3.7 43.5 12.4 76 76 A I T 3 S+ 0 0 7 24,-2.1 25,-0.1 1,-0.3 -1,-0.1 0.879 127.9 43.2 -48.9 -39.6 -3.4 46.5 14.8 77 77 A Q T 3 S+ 0 0 7 23,-0.2 -1,-0.3 38,-0.1 38,-0.2 0.118 85.0 149.4 -98.9 22.8 -3.7 44.0 17.6 78 78 A S <> - 0 0 1 -3,-2.2 4,-1.4 1,-0.1 5,-0.1 -0.312 38.5-157.9 -57.2 128.6 -1.3 41.4 16.1 79 79 A N H > S+ 0 0 2 1229,-1.1 4,-2.6 2,-0.2 5,-0.2 0.839 94.1 57.1 -71.7 -35.8 0.6 39.3 18.6 80 80 A H H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.920 105.8 48.2 -60.4 -47.5 3.3 38.6 16.0 81 81 A V H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.945 112.4 50.0 -60.1 -46.8 4.0 42.3 15.4 82 82 A R H X S+ 0 0 0 -4,-1.4 4,-2.0 1,-0.2 -2,-0.2 0.907 113.9 44.1 -58.0 -45.9 4.2 42.8 19.2 83 83 A Q H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.895 113.5 51.0 -68.3 -39.5 6.6 39.9 19.6 84 84 A T H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.926 111.1 49.0 -59.8 -46.3 8.7 41.0 16.6 85 85 A A H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.886 110.6 50.7 -61.1 -42.6 8.9 44.5 18.0 86 86 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.912 111.9 46.1 -62.9 -45.5 10.0 43.2 21.4 87 87 A V H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 6,-0.2 0.904 111.3 53.6 -64.2 -41.9 12.7 41.0 19.9 88 88 A A H X>S+ 0 0 1 -4,-2.6 5,-2.7 2,-0.2 4,-0.7 0.937 110.1 46.6 -57.1 -48.8 13.9 43.9 17.7 89 89 A A H ><5S+ 0 0 6 -4,-2.4 3,-1.0 1,-0.2 -2,-0.2 0.923 110.7 53.2 -60.4 -46.0 14.2 46.3 20.7 90 90 A K H 3<5S+ 0 0 50 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.858 116.3 38.9 -56.1 -39.3 16.1 43.6 22.6 91 91 A L H 3<5S- 0 0 62 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.403 112.4-113.3 -96.6 1.7 18.6 43.1 19.8 92 92 A G T <<5 + 0 0 38 -3,-1.0 2,-0.3 -4,-0.7 -3,-0.2 0.791 68.5 143.6 68.8 27.3 18.9 46.8 18.8 93 93 A L < - 0 0 18 -5,-2.7 -1,-0.3 -6,-0.2 -24,-0.2 -0.753 54.0-115.4 -92.3 145.2 17.3 46.2 15.4 94 94 A H E -f 69 0B 23 -26,-2.7 -24,-2.7 -2,-0.3 2,-0.4 -0.454 31.1-153.3 -68.6 150.3 15.0 48.7 13.8 95 95 A C E -f 70 0B 5 28,-0.4 30,-2.9 -26,-0.2 2,-0.4 -0.989 14.0-174.9-133.9 129.5 11.4 47.5 13.4 96 96 A V E -fh 71 125B 0 -26,-2.7 -24,-1.9 -2,-0.4 2,-0.5 -0.987 9.3-165.9-122.2 130.0 8.8 48.6 10.8 97 97 A A E -fh 72 126B 0 28,-3.0 30,-3.5 -2,-0.4 2,-0.7 -0.961 14.0-153.9-123.2 125.8 5.2 47.3 11.0 98 98 A L E -fh 73 127B 14 -26,-2.5 -24,-2.1 -2,-0.5 2,-0.3 -0.867 28.5-170.0 -93.5 113.5 2.5 47.5 8.4 99 99 A L E -fh 74 128B 0 28,-2.9 30,-2.1 -2,-0.7 2,-0.3 -0.834 13.5-173.1-113.1 146.5 -0.8 47.5 10.2 100 100 A E E -f 75 0B 36 -26,-1.5 -24,-2.1 -2,-0.3 -23,-0.2 -0.909 28.4-127.6-125.7 157.7 -4.4 47.1 9.2 101 101 A N - 0 0 42 28,-0.4 3,-0.4 29,-0.3 -26,-0.1 -0.908 28.6-177.7 -98.4 101.0 -7.8 47.4 11.0 102 102 A P S S+ 0 0 45 0, 0.0 -1,-0.1 0, 0.0 161,-0.1 0.678 77.1 41.0 -78.6 -16.6 -9.3 44.0 10.0 103 103 A I S S- 0 0 41 159,-0.1 159,-0.0 2,-0.1 -2,-0.0 0.416 100.3-123.8-111.6 -0.4 -12.7 44.6 11.7 104 104 A G + 0 0 64 -3,-0.4 2,-0.2 1,-0.2 -3,-0.0 0.797 53.5 160.9 60.8 31.6 -13.4 48.2 10.9 105 105 A T - 0 0 11 1,-0.1 -1,-0.2 2,-0.1 -2,-0.1 -0.507 37.0-166.9 -81.5 150.0 -13.8 49.2 14.6 106 106 A T + 0 0 125 222,-0.3 -1,-0.1 -2,-0.2 2,-0.0 0.287 44.2 135.8-111.1 4.0 -13.5 52.7 15.9 107 107 A A > - 0 0 21 221,-0.4 4,-2.2 1,-0.1 3,-0.2 -0.317 54.8-138.7 -57.7 129.2 -13.2 51.5 19.6 108 108 A E H > S+ 0 0 136 1,-0.2 4,-1.7 2,-0.2 5,-0.3 0.831 99.0 51.7 -65.3 -37.1 -10.5 53.4 21.4 109 109 A N H > S+ 0 0 18 2,-0.2 4,-1.9 218,-0.2 -1,-0.2 0.853 110.7 48.6 -68.9 -34.0 -9.0 50.4 23.2 110 110 A Y H 4 S+ 0 0 2 217,-0.2 -2,-0.2 -3,-0.2 6,-0.2 0.924 116.0 44.5 -67.4 -43.0 -8.7 48.3 20.0 111 111 A L H < S+ 0 0 51 -4,-2.2 -2,-0.2 1,-0.1 -1,-0.2 0.772 134.9 9.4 -70.5 -28.4 -7.0 51.3 18.3 112 112 A T H < S+ 0 0 49 -4,-1.7 -3,-0.2 -5,-0.2 -2,-0.2 0.531 111.5 68.1-135.5 -12.3 -4.6 52.2 21.1 113 113 A N S >X S+ 0 0 0 -4,-1.9 3,-1.2 -5,-0.3 4,-0.7 -0.250 83.9 22.0-102.0-169.9 -4.5 49.7 23.9 114 114 A G H 3> S- 0 0 0 1,-0.3 4,-1.4 2,-0.2 3,-0.5 -0.183 129.9 -2.5 57.2-134.6 -3.2 46.1 24.3 115 115 A N H 3> S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.830 133.5 58.8 -58.3 -36.4 -0.7 45.0 21.7 116 116 A R H <> S+ 0 0 47 -3,-1.2 4,-1.0 1,-0.2 -1,-0.2 0.880 103.0 53.0 -63.0 -39.4 -0.8 48.4 19.9 117 117 A L H >X S+ 0 0 27 -4,-0.7 4,-1.1 -3,-0.5 3,-0.6 0.908 106.9 52.1 -59.2 -44.6 0.2 50.2 23.1 118 118 A L H 3X S+ 0 0 0 -4,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.836 98.1 66.1 -65.0 -33.2 3.3 48.0 23.5 119 119 A L H 3<>S+ 0 0 0 -4,-1.6 5,-2.2 1,-0.2 -1,-0.2 0.881 101.3 49.1 -54.9 -40.1 4.3 48.7 19.9 120 120 A D H X<5S+ 0 0 87 -4,-1.0 3,-1.3 -3,-0.6 -1,-0.2 0.856 106.7 55.6 -69.5 -35.1 4.9 52.4 20.9 121 121 A L H 3<5S+ 0 0 24 -4,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.860 107.4 50.1 -63.9 -34.7 7.0 51.2 24.0 122 122 A F T 3<5S- 0 0 7 -4,-1.9 -1,-0.2 484,-0.1 -2,-0.2 0.339 114.2-117.8 -84.7 6.9 9.3 49.2 21.7 123 123 A N T < 5 + 0 0 36 -3,-1.3 -28,-0.4 1,-0.2 2,-0.3 0.840 48.9 176.4 57.7 37.7 9.8 52.2 19.3 124 124 A T < - 0 0 10 -5,-2.2 2,-0.6 -30,-0.1 -1,-0.2 -0.539 33.1-127.0 -72.0 132.4 8.2 50.5 16.3 125 125 A Q E -h 96 0B 31 -30,-2.9 -28,-3.0 -2,-0.3 2,-0.5 -0.755 31.9-148.8 -76.2 120.5 7.8 52.5 13.2 126 126 A I E -h 97 0B 25 -2,-0.6 2,-0.5 -30,-0.2 -28,-0.2 -0.830 18.0-173.9-103.7 125.4 4.2 52.1 12.3 127 127 A E E -h 98 0B 19 -30,-3.5 -28,-2.9 -2,-0.5 2,-0.2 -0.969 13.3-152.7-117.1 114.5 2.8 52.1 8.8 128 128 A M E -h 99 0B 108 -2,-0.5 2,-0.3 -30,-0.2 -28,-0.2 -0.589 14.1-178.4 -82.6 146.3 -1.0 52.1 8.4 129 129 A C - 0 0 27 -30,-2.1 -28,-0.4 -2,-0.2 3,-0.2 -0.980 36.3-121.8-139.0 153.9 -2.7 50.6 5.3 130 130 A D S S- 0 0 168 -2,-0.3 -29,-0.3 1,-0.3 2,-0.3 0.881 91.4 -19.0 -58.3 -43.5 -6.3 50.3 4.3 131 131 A A - 0 0 39 -31,-0.1 2,-1.7 -3,-0.1 3,-0.3 -0.949 57.6-116.5-164.0 146.7 -6.1 46.5 4.1 132 132 A L + 0 0 26 -2,-0.3 4,-0.1 1,-0.2 -32,-0.1 -0.574 52.2 151.8 -83.1 71.9 -3.5 43.8 3.7 133 133 A T S S+ 0 0 124 -2,-1.7 -1,-0.2 1,-0.3 0, 0.0 0.882 81.3 13.1 -70.4 -41.4 -4.8 42.7 0.3 134 134 A D S > S+ 0 0 89 -3,-0.3 4,-2.7 1,-0.1 3,-0.3 -0.670 75.0 179.4-134.7 78.6 -1.5 41.4 -0.9 135 135 A P H > S+ 0 0 36 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.835 79.3 50.9 -54.1 -43.2 0.8 41.2 2.3 136 136 A D H > S+ 0 0 105 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.910 115.2 42.3 -60.3 -45.9 3.9 39.8 0.5 137 137 A A H > S+ 0 0 44 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.899 114.7 50.1 -68.9 -41.8 3.8 42.5 -2.2 138 138 A Q H X S+ 0 0 43 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.858 109.8 52.0 -65.0 -36.6 3.0 45.3 0.3 139 139 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.3 -1,-0.2 0.861 108.7 50.2 -66.5 -37.7 5.9 44.2 2.5 140 140 A Q H X S+ 0 0 107 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.885 108.6 51.5 -68.8 -39.7 8.3 44.3 -0.5 141 141 A T H X S+ 0 0 98 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.907 113.1 46.0 -60.6 -43.7 7.2 47.8 -1.4 142 142 A L H X S+ 0 0 8 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.898 109.7 54.5 -65.4 -41.9 7.8 48.9 2.2 143 143 A A H X S+ 0 0 6 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.867 106.1 52.9 -59.2 -40.2 11.1 47.1 2.2 144 144 A T H X S+ 0 0 86 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.951 109.9 46.9 -59.9 -53.1 12.2 49.1 -0.9 145 145 A R H X S+ 0 0 46 -4,-1.8 4,-0.5 1,-0.2 -2,-0.2 0.899 114.7 47.7 -52.6 -45.7 11.4 52.4 0.8 146 146 A I H ><>S+ 0 0 0 -4,-2.4 5,-1.3 1,-0.2 3,-1.1 0.890 109.1 52.5 -67.2 -41.3 13.2 51.4 3.9 147 147 A E H ><5S+ 0 0 126 -4,-2.7 3,-1.7 1,-0.2 -1,-0.2 0.827 100.6 63.5 -62.7 -33.4 16.3 50.1 2.0 148 148 A A H 3<5S+ 0 0 52 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.701 96.0 58.4 -65.3 -21.4 16.4 53.6 0.3 149 149 A Q T <<5S- 0 0 11 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.476 127.9-100.0 -84.0 -4.7 17.1 55.2 3.7 150 150 A G T < 5S+ 0 0 41 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.350 79.2 137.4 101.2 -4.6 20.2 53.0 4.0 151 151 A F < - 0 0 21 -5,-1.3 -1,-0.3 1,-0.1 -84,-0.0 -0.300 53.8-133.7 -66.7 157.1 18.6 50.3 6.3 152 152 A R - 0 0 157 -86,-0.1 -84,-2.2 2,-0.0 -83,-1.4 -0.870 34.0-159.3-113.9 93.0 19.2 46.6 5.7 153 153 A P E -g 69 0B 31 0, 0.0 2,-0.5 0, 0.0 -83,-0.2 -0.451 19.2-162.9 -85.5 145.4 15.8 45.1 5.9 154 154 A Y E -g 70 0B 24 -85,-2.3 -83,-2.7 -2,-0.2 2,-0.5 -0.988 19.3-142.9-122.1 118.2 14.6 41.6 6.6 155 155 A V E -g 71 0B 37 -2,-0.5 -83,-0.2 -85,-0.2 -85,-0.1 -0.701 12.2-166.2 -87.0 122.0 11.0 40.9 5.7 156 156 A I - 0 0 0 -85,-3.6 -83,-0.4 -2,-0.5 3,-0.1 -0.946 23.0-126.2-106.4 122.5 9.1 38.6 8.0 157 157 A P > - 0 0 30 0, 0.0 3,-2.7 0, 0.0 4,-0.1 -0.147 45.5 -66.1 -65.1 163.2 5.8 37.3 6.5 158 158 A V G > S+ 0 0 43 1,-0.3 3,-1.6 2,-0.2 -84,-0.1 -0.190 124.9 5.3 -47.2 131.4 2.4 37.7 8.3 159 159 A G G 3 S- 0 0 0 -86,-0.6 -1,-0.3 1,-0.3 3,-0.1 0.450 116.0 -88.4 71.4 0.2 2.4 35.6 11.4 160 160 A G G < S+ 0 0 0 -3,-2.7 2,-1.6 1,-0.2 -1,-0.3 0.650 80.4 158.2 69.8 16.3 6.1 34.6 10.9 161 161 A S < + 0 0 17 -3,-1.6 2,-0.3 4,-0.1 -1,-0.2 -0.524 13.2 119.7 -88.1 79.3 4.7 31.8 8.8 162 162 A S S > S- 0 0 34 -2,-1.6 4,-2.6 -5,-0.1 5,-0.2 -0.798 79.2-100.0-117.1 168.8 7.5 30.6 6.4 163 163 A A H > S+ 0 0 16 -2,-0.3 4,-0.6 1,-0.2 -1,-0.0 0.901 126.8 50.1 -54.3 -41.7 8.9 27.1 6.4 164 164 A L H >4 S+ 0 0 26 1,-0.2 3,-1.1 2,-0.2 4,-0.4 0.927 110.4 47.7 -62.6 -47.5 11.9 28.5 8.3 165 165 A G H >4 S+ 0 0 0 1,-0.2 3,-1.7 2,-0.2 4,-0.3 0.887 104.9 61.4 -59.8 -38.9 9.7 30.2 11.0 166 166 A A H >X S+ 0 0 0 -4,-2.6 3,-1.4 1,-0.3 4,-1.1 0.666 81.8 80.7 -65.4 -17.1 7.7 27.0 11.3 167 167 A M H S+ 0 0 2 -3,-1.7 4,-1.3 -4,-0.4 -1,-0.3 0.861 102.1 43.4 -51.6 -39.3 10.0 26.7 15.9 169 169 A Y H <> S+ 0 0 0 -3,-1.4 4,-1.5 -4,-0.3 -1,-0.2 0.660 105.7 58.8 -89.0 -15.4 7.0 24.4 16.0 170 170 A V H X S+ 0 0 0 -4,-1.1 4,-1.2 -3,-0.2 -2,-0.2 0.906 109.7 47.9 -65.9 -43.4 8.9 21.3 14.8 171 171 A E H X S+ 0 0 34 -4,-2.5 4,-1.6 1,-0.2 3,-0.3 0.885 106.6 55.9 -60.8 -42.2 11.0 22.1 17.9 172 172 A S H X S+ 0 0 0 -4,-1.3 4,-2.5 1,-0.2 -1,-0.2 0.881 102.8 55.7 -60.0 -39.6 7.9 22.4 20.1 173 173 A A H X S+ 0 0 0 -4,-1.5 4,-2.8 1,-0.2 -1,-0.2 0.848 103.2 55.2 -61.3 -36.5 6.8 18.9 19.0 174 174 A L H X S+ 0 0 50 -4,-1.2 4,-2.0 -3,-0.3 -1,-0.2 0.906 109.4 46.7 -62.5 -43.4 10.1 17.5 20.3 175 175 A E H X S+ 0 0 26 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.935 112.2 51.1 -59.5 -49.1 9.4 19.1 23.7 176 176 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.932 109.6 48.6 -58.1 -50.3 5.9 17.7 23.7 177 177 A A H X S+ 0 0 21 -4,-2.8 4,-1.0 1,-0.2 -1,-0.2 0.916 114.8 45.9 -56.5 -45.9 7.0 14.2 22.8 178 178 A Q H < S+ 0 0 129 -4,-2.0 3,-0.2 1,-0.2 -1,-0.2 0.877 113.4 49.1 -63.8 -40.5 9.7 14.3 25.6 179 179 A Q H < S+ 0 0 52 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.781 113.0 46.6 -73.0 -29.3 7.2 15.8 28.2 180 180 A C H >X S+ 0 0 4 -4,-2.2 4,-2.5 -5,-0.2 3,-2.0 0.629 83.6 120.9 -84.8 -16.1 4.5 13.2 27.4 181 181 A E T 3< S- 0 0 143 -4,-1.0 4,-0.1 1,-0.3 -3,-0.0 -0.303 95.5 -14.4 -60.8 122.5 7.0 10.3 27.6 182 182 A E T 34 S+ 0 0 115 1,-0.1 -1,-0.3 -2,-0.1 3,-0.1 0.535 132.1 76.1 59.5 10.0 5.9 7.8 30.3 183 183 A V T <4 S+ 0 0 107 -3,-2.0 2,-0.3 1,-0.3 -2,-0.2 0.765 104.1 0.1-112.0 -51.3 3.6 10.5 31.6 184 184 A V < - 0 0 18 -4,-2.5 2,-1.0 125,-0.0 -1,-0.3 -0.988 51.7-141.5-146.5 136.7 0.6 10.6 29.2 185 185 A G - 0 0 63 -2,-0.3 2,-0.1 -3,-0.1 -4,-0.1 -0.823 34.9-150.4 -91.1 96.2 -0.5 8.7 26.1 186 186 A L - 0 0 15 -2,-1.0 124,-0.2 1,-0.1 3,-0.1 -0.350 23.7-177.7 -68.9 147.2 -2.0 11.5 24.1 187 187 A S + 0 0 17 122,-2.6 27,-2.8 1,-0.4 2,-0.3 0.719 68.3 14.6-106.3 -40.8 -4.8 10.9 21.6 188 188 A S E -cd 214 310A 0 121,-2.0 123,-2.8 25,-0.2 2,-0.4 -0.951 53.3-157.3-140.2 153.4 -5.4 14.4 20.2 189 189 A V E -cd 215 311A 0 25,-2.5 27,-3.6 -2,-0.3 2,-0.4 -0.997 12.8-159.9-130.7 135.5 -3.7 17.8 20.0 190 190 A V E +cd 216 312A 0 121,-2.8 123,-2.7 -2,-0.4 2,-0.3 -0.970 17.2 163.3-119.3 129.2 -5.7 21.0 19.3 191 191 A V E -c 217 0A 0 25,-2.3 27,-2.7 -2,-0.4 2,-0.2 -0.993 41.4-106.2-140.0 146.3 -4.1 24.3 18.0 192 192 A A E -c 218 0A 0 121,-0.4 2,-0.6 -2,-0.3 27,-0.2 -0.525 32.0-148.1 -65.2 139.7 -5.5 27.5 16.5 193 193 A S E +c 219 0A 0 25,-2.6 27,-1.4 -2,-0.2 28,-0.4 -0.939 41.0 133.7-118.2 107.2 -4.7 27.6 12.7 194 194 A G S S+ 0 0 6 -2,-0.6 -1,-0.1 25,-0.2 27,-0.1 0.550 82.4 2.9-116.3 -98.8 -4.1 31.1 11.4 195 195 A S S S- 0 0 25 1,-0.1 -2,-0.1 -36,-0.1 -35,-0.0 0.578 100.6-126.6 -73.6 -10.0 -1.2 32.0 9.1 196 196 A A S > S+ 0 0 0 -4,-0.1 4,-2.8 1,-0.0 5,-0.2 0.210 79.1 112.0 94.4 -8.4 -0.6 28.2 9.4 197 197 A G H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.901 81.4 47.1 -61.3 -45.5 3.1 28.0 10.6 198 198 A T H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.946 116.0 44.4 -61.5 -51.4 2.3 26.7 14.0 199 199 A H H > S+ 0 0 1 -7,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.942 116.4 47.1 -56.8 -51.2 -0.1 24.0 12.7 200 200 A A H X S+ 0 0 0 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.881 111.8 48.8 -63.6 -43.1 2.3 23.0 9.9 201 201 A G H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.928 114.0 46.7 -63.0 -45.7 5.4 22.8 12.2 202 202 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 -5,-0.2 5,-0.3 0.870 108.0 57.8 -61.0 -38.2 3.5 20.7 14.7 203 203 A A H X S+ 0 0 7 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.933 110.3 42.0 -59.6 -46.2 2.1 18.5 11.9 204 204 A V H X S+ 0 0 0 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.942 117.9 45.4 -67.2 -48.5 5.6 17.6 10.7 205 205 A G H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 5,-0.3 0.918 115.6 46.0 -61.3 -46.9 7.1 17.1 14.2 206 206 A L H X S+ 0 0 7 -4,-2.9 4,-2.2 1,-0.2 7,-0.3 0.831 105.4 59.7 -70.3 -33.5 4.1 15.0 15.4 207 207 A E H < S+ 0 0 34 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.877 116.2 35.7 -57.8 -36.3 4.0 12.8 12.3 208 208 A H H < S+ 0 0 50 -4,-1.3 -2,-0.2 -3,-0.2 -1,-0.2 0.839 128.1 31.8 -90.1 -32.9 7.5 11.7 13.1 209 209 A L H < S+ 0 0 48 -4,-2.4 -3,-0.2 1,-0.2 -2,-0.2 0.780 136.5 16.5 -95.5 -32.5 7.6 11.7 16.9 210 210 A M >< + 0 0 31 -4,-2.2 3,-1.9 -5,-0.3 -1,-0.2 -0.507 67.5 170.0-140.9 67.5 4.0 10.7 17.7 211 211 A P T 3 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.694 74.9 56.2 -62.6 -21.1 2.4 9.2 14.5 212 212 A D T 3 S+ 0 0 159 -6,-0.1 2,-0.3 2,-0.1 -5,-0.1 0.560 84.6 101.5 -88.2 -8.3 -0.8 7.9 16.2 213 213 A V S < S- 0 0 24 -3,-1.9 2,-0.7 -7,-0.3 -25,-0.2 -0.563 71.2-131.9 -78.3 137.1 -1.8 11.3 17.7 214 214 A E E -c 188 0A 36 -27,-2.8 -25,-2.5 -2,-0.3 2,-0.6 -0.823 16.5-154.6 -92.6 114.9 -4.5 13.2 15.9 215 215 A L E -c 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0.839 107.5 51.0 -64.8 -32.3 8.0 66.0 23.4 1100 122 D F T 3<5S- 0 0 9 -4,-1.6 -1,-0.3 -175,-0.1 -2,-0.2 0.341 114.9-117.3 -86.1 6.0 7.4 68.0 26.6 1101 123 D N T < 5 + 0 0 36 -3,-1.4 -28,-0.4 1,-0.2 2,-0.3 0.842 49.3 176.1 59.6 37.3 5.5 65.1 28.3 1102 124 D T < - 0 0 10 -5,-2.3 2,-0.6 -30,-0.1 -1,-0.2 -0.550 32.2-126.8 -72.7 131.9 2.3 67.1 28.6 1103 125 D Q E -f 1074 0H 33 -30,-2.9 -28,-3.0 -2,-0.3 2,-0.5 -0.750 29.9-147.6 -77.3 123.1 -0.6 65.1 30.0 1104 126 D I E -f 1075 0H 27 -2,-0.6 2,-0.5 -30,-0.2 -28,-0.2 -0.837 19.5-177.1-103.0 125.4 -3.4 65.6 27.4 1105 127 D E E -f 1076 0H 38 -30,-2.9 -28,-2.7 -2,-0.5 2,-0.3 -0.989 16.2-152.4-117.7 119.2 -7.1 65.7 28.3 1106 128 D M E -f 1077 0H 104 -2,-0.5 2,-0.3 -30,-0.2 -28,-0.2 -0.698 14.5-179.4 -91.8 143.5 -9.5 66.0 25.3 1107 129 D C - 0 0 24 -30,-2.2 -28,-0.4 -2,-0.3 3,-0.1 -0.962 36.0-122.4-136.4 157.6 -12.9 67.7 25.5 1108 130 D D S S- 0 0 166 -2,-0.3 -29,-0.3 1,-0.3 2,-0.3 0.859 91.0 -14.4 -67.5 -36.7 -15.6 68.2 22.9 1109 131 D A - 0 0 41 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