==== 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 4D96 . 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 . 1300 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45398.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 924 71.1 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 . 92 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 139 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 454 34.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 35 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 2 6 0 5 3 0 0 0 0 12 11 1 0 1 7 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 11 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 0 199 0, 0.0 3,-1.9 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 -51.6 16.9 10.7 15.5 2 2 A P T 3 + 0 0 43 0, 0.0 3,-0.3 0, 0.0 207,-0.1 0.702 360.0 42.6 -61.1 -22.6 14.4 11.7 12.8 3 3 A L T > S+ 0 0 11 1,-0.2 3,-1.9 2,-0.1 4,-0.2 0.128 75.3 116.3-108.1 19.2 14.5 15.5 13.4 4 4 A H G X + 0 0 116 -3,-1.9 3,-1.1 1,-0.3 -1,-0.2 0.663 61.7 72.5 -68.8 -17.8 18.3 15.9 13.8 5 5 A H G > S+ 0 0 80 237,-0.3 3,-1.4 -3,-0.3 4,-0.4 0.603 78.7 81.3 -70.5 -10.1 18.6 18.1 10.7 6 6 A L G X S+ 0 0 12 -3,-1.9 3,-1.6 1,-0.2 -1,-0.2 0.879 80.8 62.4 -58.9 -39.4 16.9 20.8 12.8 7 7 A T G < S+ 0 0 133 -3,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.562 88.2 73.7 -66.2 -6.7 20.3 21.5 14.4 8 8 A R G < S+ 0 0 75 -3,-1.4 -1,-0.3 -4,-0.1 -2,-0.2 0.782 82.4 79.4 -75.3 -27.9 21.6 22.6 11.0 9 9 A F S < S- 0 0 36 -3,-1.6 2,-0.1 -4,-0.4 52,-0.0 -0.674 87.8-122.0 -81.8 129.6 19.6 25.8 11.2 10 10 A P - 0 0 53 0, 0.0 2,-0.3 0, 0.0 51,-0.1 -0.465 38.3-179.0 -65.3 142.6 21.1 28.6 13.2 11 11 A R - 0 0 101 49,-0.1 46,-0.2 -2,-0.1 2,-0.1 -0.997 23.0-137.0-144.5 146.5 18.8 29.8 16.1 12 12 A L - 0 0 46 44,-2.5 2,-0.5 -2,-0.3 44,-0.1 -0.359 27.0-118.1 -84.1 174.6 18.8 32.3 18.9 13 13 A E + 0 0 154 1,-0.1 40,-0.1 -2,-0.1 -2,-0.0 -0.966 49.3 143.6-121.8 112.2 17.6 31.5 22.4 14 14 A F S S+ 0 0 17 -2,-0.5 -1,-0.1 38,-0.1 39,-0.1 0.525 78.7 35.6-115.5 -19.0 14.6 33.5 23.7 15 15 A I S S- 0 0 27 1,-0.2 2,-0.8 28,-0.1 -2,-0.1 0.873 72.1-175.8-102.8 -57.1 12.9 30.8 25.7 16 16 A G + 0 0 63 27,-0.0 -1,-0.2 3,-0.0 3,-0.1 -0.835 60.2 38.3 92.6-107.0 15.5 28.6 27.3 17 17 A A S S- 0 0 69 -2,-0.8 323,-0.0 1,-0.1 0, 0.0 -0.386 101.0 -80.0 -79.0 154.2 13.8 25.7 29.1 18 18 A P - 0 0 76 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.205 50.2-112.2 -46.1 134.2 10.7 23.8 27.9 19 19 A T - 0 0 4 1,-0.1 21,-0.1 -3,-0.1 24,-0.1 -0.449 47.8 -83.4 -70.5 149.7 7.5 25.7 28.5 20 20 A P - 0 0 44 0, 0.0 19,-3.1 0, 0.0 2,-0.5 -0.195 33.2-159.5 -58.5 142.7 5.2 24.0 31.1 21 21 A L E -A 38 0A 35 17,-0.2 2,-0.3 -3,-0.1 17,-0.2 -0.983 26.2-178.1-120.3 113.9 2.9 21.2 30.1 22 22 A E E -A 37 0A 42 15,-2.3 15,-2.4 -2,-0.5 2,-0.2 -0.882 29.5-121.6-123.6 144.1 0.2 21.0 32.7 23 23 A Y E -A 36 0A 89 -2,-0.3 13,-0.2 13,-0.2 11,-0.0 -0.551 19.9-145.1 -73.6 142.7 -2.8 18.8 33.5 24 24 A L > + 0 0 0 11,-2.5 4,-2.4 -2,-0.2 11,-0.3 -0.739 24.0 174.2-110.3 84.2 -6.1 20.8 33.8 25 25 A P H > S+ 0 0 63 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.776 74.2 45.0 -66.3 -30.4 -7.9 18.9 36.5 26 26 A R H > S+ 0 0 77 2,-0.2 4,-1.8 252,-0.2 5,-0.1 0.878 115.4 45.7 -83.8 -39.0 -10.9 21.2 36.9 27 27 A L H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.876 112.6 52.9 -65.1 -39.0 -11.6 21.6 33.2 28 28 A S H X>S+ 0 0 6 -4,-2.4 4,-1.9 2,-0.2 5,-1.2 0.875 107.5 52.0 -62.2 -40.8 -11.2 17.9 32.8 29 29 A D H <5S+ 0 0 136 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.906 114.1 42.7 -60.9 -45.2 -13.7 17.3 35.5 30 30 A Y H <5S+ 0 0 148 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.871 118.7 42.7 -70.2 -39.5 -16.3 19.6 33.8 31 31 A L H <5S- 0 0 27 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.726 103.7-125.4 -84.3 -23.1 -15.7 18.3 30.2 32 32 A G T <5S+ 0 0 67 -4,-1.9 2,-0.3 1,-0.3 -3,-0.2 0.771 78.5 77.0 83.4 29.7 -15.5 14.6 31.2 33 33 A R S + b 0 314A 11 -19,-3.1 3,-1.4 -2,-0.6 276,-0.1 -0.433 46.8 143.5 -92.3 65.9 2.0 26.7 27.9 40 40 A D G > + 0 0 0 -2,-1.6 9,-1.4 274,-0.9 3,-0.8 0.487 65.2 77.5 -78.8 0.1 3.5 28.6 25.0 41 41 A D G 3 S+ 0 0 30 1,-0.2 -1,-0.3 273,-0.2 274,-0.1 0.576 86.3 62.3 -78.4 -10.6 1.8 31.7 26.4 42 42 A V G < + 0 0 27 -3,-1.4 -1,-0.2 272,-0.2 6,-0.1 0.050 65.2 136.4-107.5 25.9 4.5 31.8 29.1 43 43 A T < - 0 0 3 -3,-0.8 5,-0.3 4,-0.1 -28,-0.1 -0.594 63.3-119.7 -70.2 135.4 7.5 32.4 26.8 44 44 A P S S+ 0 0 11 0, 0.0 2,-0.5 0, 0.0 3,-0.2 0.308 80.1 96.4 -79.3 10.2 9.6 35.1 28.6 45 45 A I S > S- 0 0 6 1,-0.2 3,-2.5 4,-0.1 559,-0.1 -0.858 105.1 -38.6 -99.5 127.3 9.6 38.0 26.0 46 46 A A T 3 S- 0 0 5 557,-0.8 -1,-0.2 -2,-0.5 40,-0.1 0.734 126.0 -32.9 24.7 70.5 7.0 40.8 26.4 47 47 A M T 3 S- 0 0 50 -3,-0.2 -1,-0.3 558,-0.1 270,-0.2 0.569 98.3-122.3 68.8 14.8 4.0 38.6 27.5 48 48 A G < + 0 0 0 -3,-2.5 269,-0.3 -5,-0.3 2,-0.2 0.200 40.4 161.8 61.3-168.6 5.0 35.6 25.4 49 49 A G > - 0 0 2 -9,-1.4 3,-0.7 267,-0.1 4,-0.4 -0.691 55.8 -65.3 135.1 172.5 3.2 33.6 22.6 50 50 A N T 3> S+ 0 0 22 265,-2.3 4,-0.7 1,-0.2 3,-0.3 0.653 115.7 69.5 -66.1 -16.2 3.7 31.1 19.8 51 51 A K H 3> S+ 0 0 17 264,-0.3 4,-2.6 1,-0.2 3,-0.2 0.788 79.8 71.2 -82.0 -25.5 5.8 33.5 17.7 52 52 A L H <> S+ 0 0 0 -3,-0.7 4,-1.9 1,-0.2 -1,-0.2 0.865 96.8 55.3 -56.8 -37.0 9.0 33.6 19.9 53 53 A R H > S+ 0 0 4 -4,-0.4 4,-0.6 -3,-0.3 -1,-0.2 0.907 111.4 43.2 -57.4 -46.6 9.7 30.1 18.8 54 54 A K H >X S+ 0 0 1 -4,-0.7 4,-2.4 -3,-0.2 3,-0.8 0.859 110.6 55.6 -68.8 -37.9 9.5 31.2 15.1 55 55 A L H 3X>S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.6 0.832 93.9 67.8 -69.4 -35.3 11.6 34.3 15.7 56 56 A E H 3<5S+ 0 0 9 -4,-1.9 -44,-2.5 -5,-0.2 4,-0.5 0.839 113.1 33.1 -46.2 -38.8 14.5 32.4 17.2 57 57 A F H S+ 0 0 0 -4,-2.5 5,-2.1 1,-0.2 3,-0.4 0.905 107.4 48.7 -55.1 -44.9 18.2 38.0 9.7 63 63 A L H ><5S+ 0 0 72 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.856 104.0 59.8 -67.2 -34.5 21.5 38.5 11.5 64 64 A R H 3<5S+ 0 0 188 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.825 105.2 50.7 -58.1 -33.9 23.2 36.0 9.2 65 65 A E T 3<5S- 0 0 127 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.491 117.0-115.9 -80.6 -7.5 22.3 38.5 6.4 66 66 A G T < 5 + 0 0 40 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.677 59.2 163.7 73.2 18.4 23.7 41.4 8.3 67 67 A A < - 0 0 9 -5,-2.1 -1,-0.2 -6,-0.2 3,-0.1 -0.390 26.5-175.4 -69.2 145.0 20.1 42.9 8.5 68 68 A D + 0 0 57 84,-2.8 26,-2.9 1,-0.1 2,-0.4 0.310 64.3 59.5-122.5 3.1 19.5 45.6 11.0 69 69 A T E -fg 94 153B 0 83,-1.5 85,-1.6 24,-0.2 2,-0.5 -0.999 62.9-151.1-137.5 133.6 15.7 46.1 10.6 70 70 A L E -fg 95 154B 0 24,-3.1 26,-2.7 -2,-0.4 2,-0.5 -0.925 15.0-171.2-103.7 129.9 12.8 43.7 11.0 71 71 A I E +fg 96 155B 0 83,-2.4 85,-3.1 -2,-0.5 2,-0.2 -0.964 17.6 147.3-125.9 121.3 9.7 44.3 8.8 72 72 A T E -f 97 0B 0 24,-1.7 26,-2.8 -2,-0.5 2,-0.3 -0.765 27.9-136.4-139.2-179.6 6.4 42.4 9.3 73 73 A A E +f 98 0B 1 83,-0.4 86,-0.6 -2,-0.2 2,-0.3 -0.944 31.8 118.6-142.1 159.6 2.6 42.8 9.0 74 74 A G E -f 99 0B 7 24,-1.9 26,-1.5 -2,-0.3 2,-0.1 -0.976 58.6 -44.1 172.6-170.9 -0.6 42.1 10.9 75 75 A A E > -f 100 0B 5 -2,-0.3 3,-1.8 24,-0.2 26,-0.2 -0.326 58.9-103.7 -69.3 161.5 -3.7 43.5 12.5 76 76 A I T 3 S+ 0 0 8 24,-2.0 25,-0.1 1,-0.3 -1,-0.1 0.867 128.0 42.5 -51.1 -37.0 -3.5 46.5 14.8 77 77 A Q T 3 S+ 0 0 8 23,-0.2 -1,-0.3 38,-0.1 38,-0.1 0.145 85.4 145.0-101.6 21.0 -3.9 43.9 17.7 78 78 A S <> - 0 0 9 -3,-1.8 4,-1.3 1,-0.1 -4,-0.0 -0.354 40.6-156.9 -62.3 129.2 -1.5 41.3 16.2 79 79 A N H > S+ 0 0 14 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.839 92.4 58.6 -74.8 -37.7 0.5 39.3 18.7 80 80 A H H > S+ 0 0 8 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.937 104.6 48.8 -55.5 -53.6 3.2 38.5 16.1 81 81 A V H > S+ 0 0 1 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.936 112.4 50.3 -53.1 -47.4 3.9 42.1 15.5 82 82 A R H X S+ 0 0 0 -4,-1.3 4,-1.9 1,-0.2 -2,-0.2 0.901 113.3 43.3 -60.0 -47.4 4.2 42.7 19.2 83 83 A Q H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.851 114.8 51.5 -66.0 -37.6 6.6 39.8 19.8 84 84 A T H X S+ 0 0 0 -4,-3.0 4,-2.6 -5,-0.2 -2,-0.2 0.956 111.2 46.8 -61.7 -50.5 8.5 40.9 16.7 85 85 A A H X S+ 0 0 1 -4,-3.4 4,-2.1 -5,-0.2 -2,-0.2 0.860 111.9 51.9 -59.6 -37.6 8.8 44.5 18.0 86 86 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.2 0.937 111.3 45.7 -64.2 -46.9 9.9 43.2 21.4 87 87 A V H X S+ 0 0 0 -4,-2.2 4,-1.5 1,-0.2 6,-0.2 0.884 110.8 54.5 -64.7 -41.2 12.6 41.1 20.0 88 88 A A H X>S+ 0 0 1 -4,-2.6 5,-2.9 2,-0.2 4,-0.6 0.915 110.1 45.4 -55.2 -50.1 13.8 43.9 17.7 89 89 A A H ><5S+ 0 0 6 -4,-2.1 3,-1.7 1,-0.2 -2,-0.2 0.957 108.7 57.1 -60.5 -50.8 14.2 46.3 20.7 90 90 A K H 3<5S+ 0 0 47 -4,-2.4 259,-0.2 1,-0.3 -1,-0.2 0.811 115.7 36.7 -47.7 -37.6 16.0 43.6 22.7 91 91 A L H 3<5S- 0 0 67 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.408 112.6-111.4-101.0 -0.1 18.6 43.3 20.0 92 92 A G T <<5S+ 0 0 36 -3,-1.7 2,-0.3 -4,-0.6 -3,-0.2 0.762 71.5 140.6 70.4 24.4 18.9 46.9 18.9 93 93 A L < - 0 0 17 -5,-2.9 -1,-0.3 -6,-0.2 -24,-0.2 -0.656 53.7-119.0 -88.5 153.9 17.3 46.1 15.5 94 94 A H E -f 69 0B 25 -26,-2.9 -24,-3.1 -2,-0.3 2,-0.4 -0.572 26.9-152.9 -84.3 158.8 14.8 48.5 14.0 95 95 A C E -f 70 0B 5 28,-0.3 30,-2.2 -26,-0.2 2,-0.4 -0.998 12.4-171.5-138.9 134.8 11.3 47.4 13.4 96 96 A V E -fh 71 125B 0 -26,-2.7 -24,-1.7 -2,-0.4 2,-0.5 -0.995 11.2-161.4-127.7 124.3 8.7 48.5 10.8 97 97 A A E -fh 72 126B 0 28,-2.7 30,-3.2 -2,-0.4 2,-0.9 -0.927 12.8-154.3-114.3 120.9 5.1 47.2 11.1 98 98 A L E -fh 73 127B 11 -26,-2.8 -24,-1.9 -2,-0.5 2,-0.3 -0.809 31.4-172.0 -87.7 103.8 2.5 47.2 8.3 99 99 A L E -fh 74 128B 0 28,-2.4 30,-2.0 -2,-0.9 2,-0.3 -0.699 13.5-174.4-104.4 150.8 -0.7 47.3 10.3 100 100 A E E -f 75 0B 35 -26,-1.5 -24,-2.0 -2,-0.3 -23,-0.2 -0.922 28.8-127.6-131.8 162.9 -4.3 47.0 9.2 101 101 A N > - 0 0 41 29,-0.5 3,-0.5 28,-0.4 -26,-0.1 -0.907 27.2-177.3-105.4 97.9 -7.7 47.2 10.9 102 102 A P T 3 S+ 0 0 41 0, 0.0 -1,-0.1 0, 0.0 159,-0.1 0.623 77.0 41.0 -77.3 -9.6 -9.3 43.9 9.9 103 103 A I T 3 S- 0 0 44 159,-0.1 159,-0.0 2,-0.1 -2,-0.0 0.433 99.3-122.5-118.5 -1.3 -12.7 44.5 11.6 104 104 A G < + 0 0 62 -3,-0.5 2,-0.1 1,-0.2 -3,-0.0 0.705 53.5 160.3 65.2 24.6 -13.5 48.2 10.8 105 105 A T - 0 0 7 1,-0.1 -1,-0.2 223,-0.1 -2,-0.1 -0.422 35.7-168.7 -75.7 149.9 -13.8 49.2 14.5 106 106 A T + 0 0 125 -2,-0.1 2,-0.2 4,-0.0 -1,-0.1 0.246 44.5 133.8-114.4 8.5 -13.5 52.7 15.8 107 107 A A > - 0 0 23 1,-0.1 4,-2.1 2,-0.0 3,-0.2 -0.407 56.2-137.6 -63.4 128.8 -13.3 51.5 19.4 108 108 A E H > S+ 0 0 127 1,-0.2 4,-2.4 2,-0.2 5,-0.4 0.835 99.2 52.6 -64.8 -38.8 -10.5 53.4 21.2 109 109 A N H > S+ 0 0 18 2,-0.2 4,-1.9 3,-0.2 -1,-0.2 0.892 110.9 48.4 -63.7 -38.9 -9.1 50.3 23.2 110 110 A Y H 4 S+ 0 0 2 217,-0.2 6,-0.2 -3,-0.2 -2,-0.2 0.927 118.1 41.4 -62.5 -44.0 -8.9 48.3 19.9 111 111 A L H < S+ 0 0 52 -4,-2.1 -2,-0.2 212,-0.1 -1,-0.2 0.783 135.8 11.7 -72.7 -30.1 -7.1 51.3 18.2 112 112 A T H < S+ 0 0 44 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.650 111.4 63.1-128.2 -22.1 -4.8 52.3 21.1 113 113 A N S >X S+ 0 0 0 -4,-1.9 3,-1.0 -5,-0.4 4,-0.6 -0.193 85.5 23.8 -98.6-171.5 -4.7 49.8 24.0 114 114 A G H 3> S- 0 0 0 1,-0.2 4,-1.5 2,-0.2 3,-0.3 -0.216 127.7 -2.3 61.7-133.1 -3.4 46.1 24.2 115 115 A N H 3> S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.889 133.9 56.9 -62.1 -37.6 -0.9 45.0 21.7 116 116 A R H <> S+ 0 0 48 -3,-1.0 4,-0.8 1,-0.2 -1,-0.2 0.841 104.0 54.3 -62.9 -35.4 -0.9 48.3 19.8 117 117 A L H >X S+ 0 0 26 -4,-0.6 4,-1.1 -3,-0.3 3,-1.0 0.940 105.4 51.6 -58.8 -50.1 0.0 50.1 23.1 118 118 A L H 3X S+ 0 0 0 -4,-1.5 4,-1.6 1,-0.3 3,-0.2 0.825 98.8 65.6 -63.2 -32.5 3.1 47.9 23.6 119 119 A L H 3<>S+ 0 0 2 -4,-1.5 5,-2.4 1,-0.2 -1,-0.3 0.830 99.4 51.9 -58.8 -37.3 4.4 48.6 20.1 120 120 A D H X<5S+ 0 0 78 -3,-1.0 3,-1.2 -4,-0.8 -1,-0.2 0.856 105.2 56.0 -67.7 -35.3 4.9 52.3 20.9 121 121 A L H 3<5S+ 0 0 24 -4,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.836 107.5 49.2 -62.3 -34.1 6.9 51.2 24.0 122 122 A F T 3<5S- 0 0 8 -4,-1.6 -1,-0.2 481,-0.1 -2,-0.2 0.377 116.8-116.0 -85.8 5.3 9.2 49.2 21.8 123 123 A N T < 5 + 0 0 38 -3,-1.2 -28,-0.3 1,-0.2 2,-0.3 0.869 48.5 179.3 59.0 41.5 9.6 52.2 19.4 124 124 A T < - 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0 0 9 -3,-2.0 4,-1.4 1,-0.2 5,-0.1 -0.339 37.8-157.0 -61.0 128.7 -4.1 45.6 42.6 402 79 B N H > S+ 0 0 13 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.845 93.8 56.0 -70.1 -36.8 -1.8 42.9 41.1 403 80 B H H > S+ 0 0 7 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.878 104.9 50.4 -64.2 -43.9 -2.0 40.9 44.3 404 81 B V H > S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.945 111.0 50.6 -57.0 -47.8 -5.8 40.7 44.2 405 82 B R H X S+ 0 0 0 -4,-1.4 4,-2.0 1,-0.2 -2,-0.2 0.890 112.4 45.5 -58.5 -44.1 -5.6 39.5 40.5 406 83 B Q H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.876 111.1 52.4 -69.1 -40.2 -3.1 36.8 41.4 407 84 B T H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.904 111.2 48.1 -60.5 -43.0 -5.0 35.7 44.4 408 85 B A H X S+ 0 0 1 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.860 110.3 50.8 -66.0 -41.7 -8.2 35.3 42.3 409 86 B A H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.934 113.9 44.4 -60.8 -47.8 -6.3 33.4 39.6 410 87 B V H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 6,-0.2 0.902 112.2 53.4 -63.7 -40.6 -5.0 31.0 42.2 411 88 B A H X>S+ 0 0 1 -4,-2.5 5,-2.8 -5,-0.2 4,-0.9 0.945 110.7 46.8 -58.9 -47.9 -8.4 30.8 43.8 412 89 B A H ><5S+ 0 0 5 -4,-2.7 3,-1.2 1,-0.2 -2,-0.2 0.935 109.3 53.8 -58.3 -50.1 -10.0 29.9 40.4 413 90 B K H 3<5S+ 0 0 47 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.801 114.8 41.2 -57.3 -31.4 -7.3 27.3 39.7 414 91 B L H 3<5S- 0 0 63 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.519 113.4-110.9 -99.4 -4.1 -8.0 25.5 43.0 415 92 B G T <<5S+ 0 0 37 -3,-1.2 2,-0.3 -4,-0.9 -3,-0.2 0.780 72.4 137.4 77.3 26.2 -11.8 25.8 43.0 416 93 B L < - 0 0 21 -5,-2.8 -1,-0.3 -6,-0.2 -24,-0.2 -0.794 55.5-117.3 -99.4 147.8 -11.8 28.2 45.9 417 94 B H E -n 392 0D 105 -26,-2.6 -24,-3.3 -2,-0.3 2,-0.4 -0.514 25.8-147.2 -73.6 151.0 -14.0 31.3 46.0 418 95 B C E -n 393 0D 9 28,-0.3 30,-2.8 -26,-0.2 2,-0.5 -0.992 12.9-172.2-126.3 127.7 -12.4 34.7 46.0 419 96 B V E -np 394 448D 1 -26,-2.8 -24,-2.1 -2,-0.4 2,-0.4 -0.973 11.6-166.2-113.7 127.4 -13.7 37.7 47.8 420 97 B A E -np 395 449D 0 28,-2.8 30,-3.1 -2,-0.5 2,-0.6 -0.963 14.1-154.6-120.3 131.4 -11.9 41.0 47.1 421 98 B L E -np 396 450D 14 -26,-2.4 -24,-2.8 -2,-0.4 2,-0.3 -0.920 27.5-173.3-100.6 117.2 -12.2 44.3 49.0 422 99 B L E -np 397 451D 0 28,-2.4 30,-2.4 -2,-0.6 2,-0.3 -0.859 15.6-174.5-119.9 145.0 -11.2 47.1 46.6 423 100 B E E -n 398 0D 39 -26,-1.5 -24,-1.9 -2,-0.3 30,-0.1 -0.907 29.5-126.3-126.8 161.5 -10.7 50.8 46.9 424 101 B N > - 0 0 45 28,-0.4 3,-0.6 -2,-0.3 -26,-0.1 -0.896 27.4-172.8-103.4 97.5 -10.0 53.6 44.3 425 102 B P T 3 S+ 0 0 40 0, 0.0 -1,-0.1 0, 0.0 161,-0.1 0.450 78.2 39.2 -79.2 3.3 -6.8 55.1 45.8 426 103 B I T 3 S- 0 0 4 2,-0.1 699,-0.1 159,-0.1 159,-0.0 0.445 99.8-121.9-130.8 -7.7 -6.6 58.0 43.4 427 104 B G < + 0 0 45 -3,-0.6 2,-0.2 1,-0.2 696,-0.1 0.786 54.5 159.1 67.3 30.2 -10.2 59.1 42.9 428 105 B T - 0 0 4 1,-0.1 -1,-0.2 695,-0.1 -2,-0.1 -0.553 37.4-166.3 -83.9 149.3 -10.2 58.7 39.2 429 106 B T + 0 0 104 222,-0.2 2,-0.2 -2,-0.2 -1,-0.1 0.224 44.7 135.8-110.2 10.0 -13.3 58.2 37.0 430 107 B A > - 0 0 19 221,-0.3 4,-2.2 1,-0.1 3,-0.3 -0.418 55.2-138.0 -64.0 125.4 -11.2 57.0 34.0 431 108 B E H > S+ 0 0 140 1,-0.2 4,-2.2 -2,-0.2 5,-0.5 0.825 97.9 52.7 -59.3 -38.3 -12.9 54.0 32.5 432 109 B N H > S+ 0 0 16 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.901 111.2 46.2 -67.4 -39.3 -9.7 51.9 31.9 433 110 B Y H 4 S+ 0 0 1 -3,-0.3 -1,-0.2 217,-0.2 -2,-0.2 0.921 116.7 47.7 -63.8 -41.4 -8.6 52.2 35.5 434 111 B L H < S+ 0 0 60 -4,-2.2 -2,-0.2 1,-0.1 -1,-0.2 0.812 135.3 2.9 -68.9 -33.0 -12.2 51.4 36.6 435 112 B T H < S+ 0 0 57 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.549 113.0 70.5-136.9 -17.9 -12.8 48.3 34.4 436 113 B N S >X S+ 0 0 0 -4,-1.9 3,-1.0 -5,-0.5 4,-0.6 -0.182 82.7 25.7 -94.8-169.6 -9.7 47.3 32.3 437 114 B G H >> S- 0 0 0 1,-0.2 4,-1.4 2,-0.2 3,-0.6 -0.198 128.8 -5.6 57.8-137.3 -6.4 45.8 33.3 438 115 B N H 3> S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.851 134.2 58.7 -58.7 -36.8 -6.3 43.8 36.5 439 116 B R H <> S+ 0 0 45 -3,-1.0 4,-1.1 1,-0.2 -1,-0.2 0.823 102.0 54.7 -64.9 -32.5 -9.9 44.6 37.3 440 117 B L H S+ 0 0 2 -4,-1.7 5,-2.6 1,-0.2 -1,-0.2 0.911 102.7 47.4 -53.5 -45.2 -11.1 39.8 38.3 443 120 B D H ><5S+ 0 0 84 -4,-1.1 3,-1.5 -3,-0.4 -1,-0.2 0.877 108.8 53.9 -64.7 -37.1 -14.4 39.4 36.5 444 121 B L H 3<5S+ 0 0 19 -4,-1.4 -2,-0.2 1,-0.3 -1,-0.2 0.909 108.2 50.2 -64.5 -38.0 -12.9 36.6 34.3 445 122 B F T 3<5S- 0 0 10 -4,-2.6 -1,-0.3 -169,-0.1 -2,-0.2 0.306 116.4-118.3 -79.7 10.3 -11.9 34.8 37.5 446 123 B N T < 5 - 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