==== 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 4D99 . 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 . 1307 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43535.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 922 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 151 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 2 6 0 5 3 0 0 0 1 11 11 1 0 1 7 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 12 5 3 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 0 112 0, 0.0 3,-2.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -40.7 16.6 11.1 15.9 2 2 A P T 3 + 0 0 47 0, 0.0 3,-0.4 0, 0.0 207,-0.0 0.772 360.0 51.6 -57.0 -27.6 14.4 11.9 12.9 3 3 A L T > S+ 0 0 10 1,-0.2 3,-1.8 2,-0.1 4,-0.2 0.170 72.3 115.6 -94.0 17.5 14.4 15.6 13.6 4 4 A H G X + 0 0 111 -3,-2.2 3,-1.5 1,-0.3 4,-0.3 0.724 59.6 73.8 -64.1 -24.2 18.2 16.0 13.9 5 5 A H G > S+ 0 0 76 -3,-0.4 3,-0.9 237,-0.3 4,-0.3 0.590 77.7 80.4 -65.1 -10.0 18.5 18.3 10.9 6 6 A L G X S+ 0 0 8 -3,-1.8 3,-1.7 1,-0.2 -1,-0.3 0.856 79.6 66.3 -60.2 -37.7 16.9 21.0 13.1 7 7 A T G < S+ 0 0 127 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.741 87.4 71.2 -55.2 -27.1 20.4 21.6 14.7 8 8 A R G < S+ 0 0 74 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.770 82.9 81.5 -63.0 -30.2 21.5 22.9 11.3 9 9 A F S < S- 0 0 33 -3,-1.7 2,-0.1 -4,-0.3 52,-0.0 -0.667 83.8-125.4 -83.3 126.5 19.5 26.1 11.6 10 10 A P - 0 0 68 0, 0.0 2,-0.3 0, 0.0 51,-0.2 -0.437 37.3-179.6 -64.5 145.6 21.0 28.9 13.6 11 11 A R - 0 0 94 49,-0.1 46,-0.2 -4,-0.1 2,-0.2 -0.997 23.7-131.2-150.9 144.7 18.6 30.0 16.4 12 12 A L - 0 0 41 44,-2.2 2,-0.8 -2,-0.3 3,-0.2 -0.543 26.9-117.0 -91.0 162.0 18.5 32.6 19.2 13 13 A E + 0 0 130 -2,-0.2 -2,-0.0 1,-0.2 -1,-0.0 -0.874 56.7 136.8-103.5 99.8 17.5 31.8 22.8 14 14 A F S S+ 0 0 12 -2,-0.8 31,-0.2 38,-0.1 -1,-0.2 0.634 75.9 38.9-107.7 -29.4 14.3 33.7 23.6 15 15 A I S S- 0 0 19 -3,-0.2 2,-0.6 1,-0.2 -2,-0.1 0.934 75.1-177.9 -89.4 -54.6 12.5 31.0 25.5 16 16 A G + 0 0 41 27,-0.1 -1,-0.2 3,-0.0 3,-0.1 -0.824 57.5 37.3 89.3-121.9 15.0 29.1 27.5 17 17 A A S S- 0 0 66 -2,-0.6 2,-0.1 1,-0.1 0, 0.0 -0.094 101.1 -85.1 -59.2 155.5 13.5 26.2 29.4 18 18 A P - 0 0 78 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.445 53.8-110.8 -57.2 136.3 10.7 24.0 27.9 19 19 A T - 0 0 6 1,-0.1 21,-0.1 -3,-0.1 24,-0.1 -0.379 45.9 -83.0 -68.7 152.9 7.4 25.8 28.6 20 20 A P - 0 0 44 0, 0.0 19,-3.0 0, 0.0 2,-0.4 -0.156 31.4-157.9 -60.5 149.0 5.1 24.1 31.1 21 21 A L E -A 38 0A 37 17,-0.2 2,-0.3 -3,-0.1 17,-0.2 -0.957 26.9-176.7-123.8 110.1 2.8 21.2 30.1 22 22 A E E -A 37 0A 40 15,-2.6 15,-2.8 -2,-0.4 2,-0.2 -0.798 28.1-124.6-118.0 147.5 0.0 21.1 32.8 23 23 A Y E -A 36 0A 89 -2,-0.3 13,-0.2 13,-0.2 288,-0.0 -0.619 19.4-144.7 -79.9 146.7 -3.0 19.0 33.6 24 24 A L > + 0 0 1 11,-2.6 4,-2.9 -2,-0.2 11,-0.4 -0.739 24.1 172.8-114.1 84.2 -6.3 20.9 33.9 25 25 A P H > S+ 0 0 67 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.839 76.5 44.0 -65.7 -37.2 -8.2 19.0 36.6 26 26 A R H > S+ 0 0 80 390,-0.2 4,-2.0 2,-0.2 5,-0.1 0.928 117.2 44.7 -75.0 -45.1 -11.1 21.4 37.0 27 27 A L H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.919 114.5 51.2 -60.5 -41.7 -11.7 21.8 33.2 28 28 A S H X>S+ 0 0 5 -4,-2.9 4,-2.0 7,-0.2 5,-1.1 0.905 108.0 51.8 -61.6 -45.0 -11.3 18.0 32.8 29 29 A D H <5S+ 0 0 140 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.895 113.3 45.1 -56.0 -43.1 -13.9 17.4 35.6 30 30 A Y H <5S+ 0 0 148 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.888 118.2 41.0 -70.4 -40.8 -16.3 19.7 33.8 31 31 A L H <5S- 0 0 24 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.644 102.2-126.9 -86.6 -18.5 -15.8 18.4 30.2 32 32 A G T <5S+ 0 0 70 -4,-2.0 2,-0.3 1,-0.2 -3,-0.2 0.727 78.6 86.6 80.1 27.9 -15.6 14.7 31.2 33 33 A R S + b 0 314A 11 -19,-3.0 3,-1.6 -2,-0.7 276,-0.1 -0.420 46.0 145.5 -90.2 65.1 1.8 26.8 28.0 40 40 A D T 3 + 0 0 1 -2,-1.7 9,-1.1 274,-0.8 -1,-0.2 0.465 66.9 75.7 -76.6 2.5 3.4 28.6 25.1 41 41 A D T 3 S+ 0 0 28 7,-0.2 2,-0.9 1,-0.2 -1,-0.3 0.552 80.7 76.4 -82.4 -10.7 1.7 31.7 26.5 42 42 A V < + 0 0 28 -3,-1.6 -1,-0.2 272,-0.2 6,-0.1 -0.768 61.7 137.2-107.2 86.6 4.3 31.8 29.3 43 43 A T - 0 0 11 -2,-0.9 4,-0.2 2,-0.1 -28,-0.1 -0.896 59.0-122.1-124.2 158.9 7.5 33.2 27.8 44 44 A P S S+ 0 0 12 0, 0.0 2,-0.6 0, 0.0 3,-0.3 0.763 85.7 89.1 -71.1 -24.2 9.9 35.8 29.2 45 45 A I S > S- 0 0 6 -31,-0.2 3,-2.4 1,-0.2 -2,-0.1 -0.679 108.3 -45.1 -91.7 117.6 9.5 38.2 26.3 46 46 A A T 3 S- 0 0 4 560,-0.7 -1,-0.2 -2,-0.6 40,-0.1 0.767 118.5 -38.5 34.8 60.0 6.8 40.9 26.4 47 47 A M T 3 S- 0 0 46 -3,-0.3 -1,-0.3 -4,-0.2 270,-0.2 0.470 96.8-117.5 76.1 6.9 3.8 38.8 27.5 48 48 A G < + 0 0 0 -3,-2.4 269,-0.3 1,-0.1 2,-0.2 0.133 42.4 161.0 73.6-175.8 4.7 35.7 25.5 49 49 A G > - 0 0 1 -9,-1.1 3,-0.9 267,-0.1 4,-0.4 -0.622 55.1 -76.8 137.7 167.2 3.1 33.7 22.8 50 50 A N T >> S+ 0 0 0 265,-2.6 3,-1.5 1,-0.2 4,-0.8 0.797 114.8 72.5 -61.9 -31.4 3.7 31.2 20.0 51 51 A X H 3> S+ 0 0 0 264,-0.3 4,-2.1 1,-0.3 3,-0.3 0.798 84.9 68.0 -61.5 -28.8 5.3 33.8 17.7 52 52 A L H <> S+ 0 0 0 -3,-0.9 4,-1.5 1,-0.2 -1,-0.3 0.827 94.6 55.5 -60.0 -34.4 8.4 33.9 19.9 53 53 A R H <> S+ 0 0 9 -3,-1.5 4,-0.6 -4,-0.4 -1,-0.2 0.867 110.4 45.7 -65.2 -38.3 9.3 30.3 18.9 54 54 A K H >X S+ 0 0 0 -4,-0.8 4,-2.4 -3,-0.3 3,-0.9 0.885 107.7 58.0 -68.8 -39.2 9.3 31.3 15.2 55 55 A L H 3X>S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.3 5,-0.5 0.813 92.7 67.4 -66.1 -33.6 11.2 34.5 15.9 56 56 A E H 3X5S+ 0 0 4 -4,-1.5 -44,-2.2 1,-0.2 4,-0.5 0.857 112.9 33.1 -49.6 -40.2 14.2 32.5 17.4 57 57 A F H S+ 0 0 1 -4,-1.9 5,-2.5 2,-0.2 4,-0.3 0.920 110.8 47.4 -60.7 -47.3 18.2 38.2 9.9 63 63 A L H ><5S+ 0 0 75 -4,-2.4 3,-2.2 1,-0.2 -2,-0.2 0.934 108.1 54.0 -61.2 -49.2 21.4 38.5 12.0 64 64 A R H 3<5S+ 0 0 93 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.861 109.2 51.4 -51.3 -37.0 23.3 36.0 9.8 65 65 A E T 3<5S- 0 0 129 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.495 116.6-116.2 -78.9 -5.6 22.2 38.3 6.9 66 66 A G T < 5 + 0 0 46 -3,-2.2 -3,-0.2 -4,-0.3 -2,-0.1 0.677 57.6 163.1 74.8 18.4 23.5 41.4 8.6 67 67 A A < - 0 0 9 -5,-2.5 -1,-0.2 -6,-0.2 3,-0.1 -0.356 26.5-176.5 -68.5 148.2 20.0 42.9 8.8 68 68 A D + 0 0 54 84,-2.5 26,-2.8 1,-0.2 2,-0.4 0.289 66.5 57.8-124.8 2.0 19.4 45.8 11.2 69 69 A T E -fg 94 153B 0 83,-1.4 85,-2.9 24,-0.2 2,-0.5 -0.991 63.0-152.6-143.8 127.2 15.7 46.2 10.6 70 70 A L E -fg 95 154B 0 24,-2.9 26,-2.4 -2,-0.4 2,-0.4 -0.883 15.4-170.6 -99.6 127.4 12.8 43.8 11.1 71 71 A I E +fg 96 155B 0 83,-2.7 85,-3.7 -2,-0.5 2,-0.3 -0.978 17.4 147.9-119.9 132.0 9.7 44.5 8.9 72 72 A T E -f 97 0B 0 24,-2.0 26,-2.5 -2,-0.4 2,-0.3 -0.887 28.4-135.5-149.6 178.6 6.4 42.7 9.3 73 73 A A E +f 98 0B 0 83,-0.5 86,-0.6 -2,-0.3 2,-0.3 -0.925 31.1 122.1-138.7 161.5 2.7 43.1 9.0 74 74 A G E -f 99 0B 0 24,-2.1 26,-1.6 -2,-0.3 2,-0.1 -0.971 57.1 -49.7 169.7-178.7 -0.5 42.3 10.9 75 75 A A E > -f 100 0B 1 -2,-0.3 3,-1.9 24,-0.2 26,-0.2 -0.328 59.1-104.9 -66.6 159.6 -3.8 43.5 12.5 76 76 A I T 3 S+ 0 0 9 24,-1.9 25,-0.1 1,-0.3 -1,-0.1 0.883 126.4 44.6 -53.2 -38.7 -3.5 46.5 14.8 77 77 A Q T 3 S+ 0 0 7 38,-0.1 -1,-0.3 39,-0.1 38,-0.2 0.154 85.0 145.8 -95.1 19.6 -4.0 44.0 17.7 78 78 A S <> - 0 0 1 -3,-1.9 4,-1.4 1,-0.1 5,-0.1 -0.319 40.6-158.4 -60.6 129.6 -1.5 41.4 16.2 79 79 A N H > S+ 0 0 2 1230,-1.5 4,-2.5 2,-0.2 5,-0.2 0.839 93.7 59.4 -74.4 -35.1 0.5 39.4 18.8 80 80 A H H > S+ 0 0 0 1229,-1.6 4,-2.7 2,-0.2 5,-0.2 0.928 105.0 47.2 -55.9 -50.1 3.1 38.7 16.1 81 81 A V H > S+ 0 0 1 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.935 112.2 50.8 -59.7 -45.9 3.8 42.3 15.6 82 82 A R H X S+ 0 0 0 -4,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.881 114.0 43.4 -59.0 -44.2 4.0 42.9 19.4 83 83 A Q H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.847 113.4 51.6 -71.8 -37.2 6.5 40.0 19.9 84 84 A T H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.933 112.3 46.9 -61.5 -46.3 8.5 41.0 16.8 85 85 A A H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.864 111.0 51.1 -63.5 -40.4 8.8 44.6 18.1 86 86 A A H X S+ 0 0 0 -4,-1.9 4,-2.6 -5,-0.2 -1,-0.2 0.939 112.4 46.4 -62.7 -47.1 9.7 43.4 21.6 87 87 A V H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 6,-0.2 0.886 111.3 51.9 -61.5 -42.9 12.5 41.2 20.1 88 88 A A H X>S+ 0 0 1 -4,-2.5 5,-2.9 2,-0.2 4,-0.8 0.935 110.7 48.0 -59.5 -47.7 13.7 44.1 17.9 89 89 A A H ><5S+ 0 0 6 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.965 110.6 51.9 -55.5 -54.5 13.9 46.4 20.9 90 90 A K H 3<5S+ 0 0 48 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.800 116.6 39.2 -52.5 -36.9 15.8 43.8 22.9 91 91 A L H 3<5S- 0 0 64 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.447 113.2-113.2 -97.1 0.1 18.4 43.3 20.2 92 92 A G T <<5 + 0 0 36 -3,-1.6 2,-0.3 -4,-0.8 -3,-0.2 0.800 68.4 143.4 68.9 29.6 18.7 46.9 19.2 93 93 A L < - 0 0 19 -5,-2.9 -1,-0.3 -6,-0.2 -24,-0.2 -0.752 53.1-116.0 -94.1 148.0 17.1 46.3 15.7 94 94 A H E -f 69 0B 23 -26,-2.8 -24,-2.9 -2,-0.3 2,-0.4 -0.431 30.6-154.7 -71.7 156.5 14.8 48.8 14.1 95 95 A C E -f 70 0B 5 28,-0.3 30,-2.7 -26,-0.2 2,-0.4 -0.979 13.8-173.7-142.2 128.3 11.2 47.6 13.5 96 96 A V E -fh 71 125B 0 -26,-2.4 -24,-2.0 -2,-0.4 2,-0.5 -0.985 10.7-164.5-121.6 128.7 8.6 48.7 10.9 97 97 A A E -fh 72 126B 0 28,-2.8 30,-3.3 -2,-0.4 2,-0.7 -0.950 13.7-153.7-121.9 125.8 5.1 47.4 11.1 98 98 A L E -fh 73 127B 11 -26,-2.5 -24,-2.1 -2,-0.5 2,-0.3 -0.865 28.6-169.7 -93.0 114.1 2.5 47.5 8.5 99 99 A L E -fh 74 128B 0 28,-2.7 30,-1.8 -2,-0.7 2,-0.3 -0.833 13.1-172.3-112.5 147.2 -0.9 47.5 10.3 100 100 A E E -f 75 0B 36 -26,-1.6 -24,-1.9 -2,-0.3 30,-0.1 -0.917 28.4-126.4-126.6 157.2 -4.5 47.0 9.2 101 101 A N - 0 0 42 28,-0.4 3,-0.4 -2,-0.3 -26,-0.1 -0.897 27.9-175.3 -97.0 102.3 -7.9 47.3 10.9 102 102 A P S S+ 0 0 41 0, 0.0 -1,-0.1 0, 0.0 161,-0.1 0.686 77.9 37.8 -75.8 -16.1 -9.4 43.9 10.1 103 103 A I S S- 0 0 42 159,-0.1 -2,-0.0 -3,-0.1 159,-0.0 0.399 99.4-122.3-118.6 1.0 -12.8 44.6 11.6 104 104 A G + 0 0 63 -3,-0.4 2,-0.1 1,-0.2 -3,-0.0 0.762 54.6 160.9 63.2 28.7 -13.5 48.2 10.8 105 105 A T - 0 0 10 1,-0.1 -1,-0.2 2,-0.1 -2,-0.1 -0.471 37.4-166.6 -80.0 150.5 -13.9 49.1 14.5 106 106 A T + 0 0 127 222,-0.3 2,-0.1 -2,-0.1 -1,-0.1 0.218 44.3 135.2-113.5 8.6 -13.7 52.6 15.9 107 107 A A > - 0 0 19 221,-0.4 4,-2.3 1,-0.1 3,-0.2 -0.400 54.1-141.3 -59.3 126.4 -13.5 51.4 19.5 108 108 A E H > S+ 0 0 128 1,-0.2 4,-2.0 2,-0.2 5,-0.4 0.817 98.4 54.6 -65.8 -32.7 -10.7 53.4 21.2 109 109 A N H > S+ 0 0 19 218,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.874 110.7 46.7 -69.1 -33.3 -9.3 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 0.921 116.3 45.0 -69.8 -43.0 -9.0 48.4 19.9 111 111 A L H < S+ 0 0 51 -4,-2.3 -2,-0.2 1,-0.1 -1,-0.2 0.802 135.6 8.9 -68.5 -30.7 -7.3 51.3 18.2 112 112 A T H < S+ 0 0 43 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.593 110.9 69.8-131.8 -17.0 -4.9 52.3 21.0 113 113 A N S >X S+ 0 0 0 -4,-2.0 3,-1.1 -5,-0.4 4,-0.7 -0.200 83.6 20.1 -98.0-171.5 -4.9 49.8 23.9 114 114 A G H 3> S- 0 0 0 1,-0.2 4,-1.6 2,-0.2 3,-0.4 -0.202 128.9 -1.2 58.5-133.2 -3.5 46.2 24.3 115 115 A N H 3> S+ 0 0 1 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.853 133.4 57.0 -57.7 -41.7 -0.9 45.1 21.8 116 116 A R H <> S+ 0 0 45 -3,-1.1 4,-1.0 1,-0.2 -1,-0.2 0.856 104.1 53.6 -59.1 -40.2 -1.0 48.4 19.9 117 117 A L H >X S+ 0 0 26 -4,-0.7 4,-1.1 -3,-0.4 3,-0.7 0.932 106.9 51.8 -57.7 -47.9 -0.1 50.3 23.1 118 118 A L H 3X S+ 0 0 0 -4,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.835 98.4 66.4 -62.5 -33.7 2.9 48.0 23.6 119 119 A L H 3<>S+ 0 0 0 -4,-1.7 5,-2.2 1,-0.2 -1,-0.2 0.885 100.2 49.3 -54.2 -42.4 4.1 48.8 20.1 120 120 A D H X<5S+ 0 0 81 -4,-1.0 3,-1.4 -3,-0.7 -1,-0.2 0.849 105.6 57.5 -68.2 -33.4 4.7 52.5 21.0 121 121 A L H 3<5S+ 0 0 25 -4,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.845 106.9 49.5 -63.8 -32.5 6.7 51.4 24.1 122 122 A F T 3<5S- 0 0 9 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.306 114.1-118.2 -86.4 8.2 9.0 49.4 21.8 123 123 A N T < 5 + 0 0 38 -3,-1.4 -28,-0.3 1,-0.2 2,-0.3 0.868 48.8 177.0 55.1 38.7 9.5 52.5 19.4 124 124 A T < - 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0 0 10 -5,-2.2 -1,-0.2 1,-0.1 3,-0.1 -0.315 26.8-172.8 -65.4 150.2 -11.0 27.2 53.8 394 68 B D S S+ 0 0 55 84,-2.7 26,-2.5 1,-0.2 2,-0.3 0.301 70.8 51.2-120.6 2.0 -13.3 27.3 50.7 395 69 B T E -no 420 479D 0 83,-1.5 85,-2.1 24,-0.2 2,-0.5 -0.999 64.2-151.2-143.3 135.8 -13.0 31.1 50.2 396 70 B L E -no 421 480D 0 24,-2.3 26,-2.7 -2,-0.3 2,-0.4 -0.936 14.7-169.3-106.3 131.3 -10.1 33.5 49.9 397 71 B I E +no 422 481D 0 83,-2.6 85,-3.2 -2,-0.5 2,-0.3 -0.983 18.2 146.7-122.4 129.6 -10.6 37.1 51.0 398 72 B T E -n 423 0D 0 24,-1.7 26,-2.4 -2,-0.4 2,-0.3 -0.867 27.6-136.4-146.7-179.3 -8.2 40.0 50.4 399 73 B A E +n 424 0D 0 83,-0.3 86,-0.5 -2,-0.3 2,-0.3 -0.938 31.1 120.1-142.6 161.4 -8.1 43.7 49.7 400 74 B G E -n 425 0D 3 24,-2.0 26,-1.7 -2,-0.3 2,-0.0 -0.967 58.0 -46.2 168.9-177.5 -6.5 46.3 47.5 401 75 B A E > -n 426 0D 4 -2,-0.3 3,-2.3 24,-0.2 26,-0.2 -0.302 62.1-100.1 -66.4 161.2 -6.9 49.1 44.9 402 76 B I T 3 S+ 0 0 8 24,-2.1 25,-0.1 1,-0.3 -1,-0.1 0.841 127.9 43.7 -51.5 -35.5 -9.1 48.5 41.9 403 77 B Q T 3 S+ 0 0 8 38,-0.1 -1,-0.3 39,-0.1 38,-0.2 0.111 83.6 151.3-100.9 23.8 -6.0 47.8 39.9 404 78 B S <> - 0 0 2 -3,-2.3 4,-1.3 1,-0.2 5,-0.1 -0.293 36.5-159.4 -59.5 128.4 -4.3 45.6 42.6 405 79 B N H > S+ 0 0 2 906,-0.5 4,-2.6 2,-0.2 5,-0.2 0.864 94.0 56.5 -71.5 -38.4 -1.9 43.0 41.1 406 80 B H H > S+ 0 0 0 905,-1.1 4,-2.2 2,-0.2 5,-0.2 0.884 105.8 48.5 -58.3 -45.4 -2.2 41.1 44.4 407 81 B V H > S+ 0 0 1 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.909 112.1 49.5 -63.8 -42.7 -6.0 40.8 44.2 408 82 B R H X S+ 0 0 0 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.927 112.9 46.1 -62.9 -46.8 -5.8 39.6 40.5 409 83 B Q H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.870 113.9 49.1 -63.0 -38.4 -3.2 37.0 41.4 410 84 B T H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.901 110.9 50.6 -67.1 -41.2 -5.2 35.9 44.4 411 85 B A H X S+ 0 0 1 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.887 110.6 49.4 -62.4 -40.3 -8.4 35.7 42.3 412 86 B A H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.916 111.4 48.0 -67.8 -44.9 -6.6 33.6 39.7 413 87 B V H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 6,-0.2 0.905 111.2 51.1 -61.1 -44.6 -5.2 31.1 42.3 414 88 B A H X>S+ 0 0 1 -4,-2.5 5,-2.8 2,-0.2 4,-0.6 0.941 110.8 49.1 -55.8 -48.6 -8.7 30.8 43.9 415 89 B A H ><5S+ 0 0 5 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.954 110.1 50.8 -55.7 -52.6 -10.2 30.1 40.4 416 90 B K H 3<5S+ 0 0 51 -4,-2.6 -1,-0.2 1,-0.3 -390,-0.2 0.818 115.2 42.7 -53.4 -37.3 -7.5 27.4 39.7 417 91 B L H 3<5S- 0 0 61 -4,-1.8 -1,-0.3 -3,-0.2 -2,-0.2 0.370 113.9-110.1 -98.3 3.6 -8.2 25.7 43.0 418 92 B G T <<5S+ 0 0 38 -3,-1.6 2,-0.3 -4,-0.6 -3,-0.2 0.740 72.4 139.2 71.6 24.8 -12.0 25.8 43.0 419 93 B L < - 0 0 21 -5,-2.8 -1,-0.3 -6,-0.2 -24,-0.2 -0.781 55.0-116.7 -98.6 143.8 -12.1 28.4 45.8 420 94 B H E -n 395 0D 95 -26,-2.5 -24,-2.3 -2,-0.3 2,-0.4 -0.350 28.4-149.4 -63.5 155.9 -14.4 31.3 46.0 421 95 B C E -n 396 0D 9 28,-0.4 30,-3.1 -26,-0.2 2,-0.4 -0.992 14.4-175.1-135.8 130.3 -12.8 34.8 46.0 422 96 B V E -np 397 451D 1 -26,-2.7 -24,-1.7 -2,-0.4 2,-0.5 -0.988 9.3-166.3-121.4 128.9 -14.0 37.9 47.6 423 97 B A E -np 398 452D 0 28,-3.0 30,-3.0 -2,-0.4 2,-0.7 -0.970 14.0-152.5-122.0 127.5 -12.1 41.2 47.1 424 98 B L E -np 399 453D 15 -26,-2.4 -24,-2.0 -2,-0.5 2,-0.3 -0.880 30.1-167.9 -94.6 114.1 -12.5 44.4 49.0 425 99 B L E -np 400 454D 0 28,-2.7 30,-2.3 -2,-0.7 2,-0.3 -0.825 15.4-173.9-116.6 143.1 -11.6 47.2 46.6 426 100 B E E -n 401 0D 39 -26,-1.7 -24,-2.1 -2,-0.3 30,-0.1 -0.891 27.5-131.3-125.8 159.7 -10.9 50.9 46.8 427 101 B N > - 0 0 43 28,-0.4 3,-0.8 29,-0.3 -26,-0.1 -0.871 26.3-176.9-105.5 94.1 -10.2 53.7 44.3 428 102 B P T 3 S+ 0 0 41 0, 0.0 -1,-0.1 0, 0.0 161,-0.1 0.485 77.6 41.7 -76.7 -1.0 -7.1 55.2 45.9 429 103 B I T 3 S- 0 0 2 2,-0.1 700,-0.1 159,-0.1 159,-0.0 0.410 99.9-123.1-127.3 -1.7 -6.8 58.1 43.3 430 104 B G < + 0 0 46 -3,-0.8 2,-0.2 1,-0.2 697,-0.1 0.757 55.1 157.4 63.4 29.3 -10.4 59.3 42.9 431 105 B T - 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0 0 119 -3,-1.7 -28,-0.4 1,-0.2 2,-0.2 0.851 46.6-178.2 55.6 41.0 -15.6 35.4 38.9 450 124 B T < - 0 0 11 -5,-2.4 2,-0.7 -6,-0.1 -28,-0.2 -0.479 29.1-127.0 -68.1 131.3 -14.4 37.5 41.8 451 125 B Q E -p 422 0D 83 -30,-3.1 -28,-3.0 -2,-0.2 2,-0.5 -0.764 31.8-148.1 -78.5 118.4 -17.0 38.7 44.2 452 126 B I E -p 423 0D 47 -2,-0.7 2,-0.5 -30,-0.2 -28,-0.2 -0.793 21.1-178.8 -98.7 125.5 -16.4 42.4 44.4 453 127 B E E -p 424 0D 25 -30,-3.0 -28,-2.7 -2,-0.5 2,-0.3 -0.978 16.3-152.6-120.1 115.9 -17.1 44.5 47.5 454 128 B M E -p 425 0D 106 -2,-0.5 2,-0.3 -30,-0.2 -28,-0.2 -0.635 14.0-178.2 -86.5 142.7 -16.4 48.3 47.1 455 129 B C - 0 0 27 -30,-2.3 -28,-0.4 -2,-0.3 3,-0.2 -0.979 34.4-124.5-136.7 155.0 -15.4 50.5 50.0 456 130 B D S S- 0 0 166 -2,-0.3 -29,-0.3 1,-0.3 2,-0.3 0.883 91.1 -9.1 -63.5 -41.5 -14.7 54.3 50.2 457 131 B A - 0 0 37 -31,-0.1 2,-1.8 -3,-0.1 3,-0.3 -0.951 55.1-128.9-159.9 137.4 -11.2 53.8 51.7 458 132 B L + 0 0 25 -2,-0.3 -32,-0.1 1,-0.2 -57,-0.0 -0.541 51.4 148.8 -82.4 70.4 -9.1 51.0 53.1 459 133 B T S S+ 0 0 126 -2,-1.8 -1,-0.2 1,-0.3 0, 0.0 0.828 79.1 19.1 -76.1 -35.5 -8.4 53.0 56.3 460 134 B D S > S+ 0 0 89 -3,-0.3 4,-3.0 1,-0.1 -1,-0.3 -0.706 74.8 175.2-133.3 85.6 -8.1 49.9 58.5 461 135 B P H > S+ 0 0 41 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.923 78.0 48.6 -57.7 -55.9 -7.5 46.9 56.1 462 136 B D H > S+ 0 0 109 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.867 117.4 43.5 -53.3 -42.5 -7.0 44.2 58.7 463 137 B A H > S+ 0 0 45 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.924 114.0 48.6 -70.1 -48.5 -10.1 45.3 60.5 464 138 B Q H X S+ 0 0 47 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.846 110.8 52.6 -61.1 -35.3 -12.3 45.7 57.4 465 139 B L H X S+ 0 0 0 -4,-2.9 4,-2.1 -5,-0.2 -1,-0.2 0.822 107.2 52.5 -69.2 -33.3 -11.1 42.3 56.1 466 140 B Q H X S+ 0 0 130 -4,-1.2 4,-1.9 -5,-0.2 -2,-0.2 0.861 108.8 49.7 -68.6 -39.8 -12.2 40.7 59.4 467 141 B T H X S+ 0 0 100 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.898 112.8 46.5 -65.9 -44.2 -15.7 42.2 59.2 468 142 B L H X S+ 0 0 27 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.928 110.6 53.2 -62.9 -45.6 -16.1 41.0 55.6 469 143 B A H X S+ 0 0 7 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.857 109.3 48.8 -58.5 -40.4 -14.8 37.5 56.6 470 144 B T H X S+ 0 0 81 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.894 112.1 48.8 -66.0 -42.2 -17.4 37.3 59.4 471 145 B R H X S+ 0 0 48 -4,-2.0 4,-0.6 2,-0.2 -2,-0.2 0.925 114.0 45.6 -62.1 -45.9 -20.2 38.4 57.0 472 146 B I H >X>S+ 0 0 3 -4,-2.9 5,-1.3 1,-0.2 3,-0.8 0.882 111.8 51.9 -66.2 -40.5 -19.1 35.8 54.4 473 147 B E H ><5S+ 0 0 122 -4,-2.3 3,-1.2 1,-0.2 -1,-0.2 0.875 104.7 56.9 -61.2 -39.5 -18.8 33.1 57.1 474 148 B A H 3<5S+ 0 0 87 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.667 100.0 59.8 -66.9 -18.5 -22.3 34.0 58.2 475 149 B Q H <<5S- 0 0 117 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.629 130.5 -91.6 -82.5 -17.6 -23.5 33.2 54.6 476 150 B G T <<5S+ 0 0 61 -3,-1.2 2,-0.2 -4,-0.5 -3,-0.2 0.605 86.2 117.3 117.0 19.8 -22.1 29.6 54.9 477 151 B F < - 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