==== 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 4D9C . 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 . 1296 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44089.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 919 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 153 11.8 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 . 1 0.1 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 . 84 6.5 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 . 457 35.3 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 11 13 0 0 1 7 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 11 5 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 0 120 0, 0.0 3,-2.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -46.3 16.9 11.0 15.3 2 2 A P T 3 + 0 0 54 0, 0.0 3,-0.5 0, 0.0 207,-0.1 0.856 360.0 50.9 -68.6 -24.3 14.6 11.7 12.4 3 3 A L T > S+ 0 0 10 1,-0.2 3,-1.6 2,-0.1 4,-0.3 0.236 75.3 114.7 -90.2 19.4 14.4 15.5 13.2 4 4 A H G X + 0 0 111 -3,-2.1 3,-1.7 1,-0.3 4,-0.2 0.750 59.0 69.7 -68.4 -24.8 18.2 15.9 13.3 5 5 A H G > S+ 0 0 76 -3,-0.5 3,-1.1 237,-0.3 4,-0.4 0.595 80.4 81.3 -67.8 -8.4 18.7 18.2 10.2 6 6 A L G X S+ 0 0 10 -3,-1.6 3,-1.4 1,-0.2 -1,-0.3 0.855 79.0 69.6 -59.8 -35.0 16.9 20.8 12.4 7 7 A T G < S+ 0 0 125 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.2 0.787 84.5 68.8 -44.0 -40.2 20.5 21.2 13.8 8 8 A R G < S+ 0 0 75 -3,-1.1 -1,-0.2 -4,-0.2 -2,-0.2 0.812 82.4 86.6 -61.5 -31.4 21.7 22.7 10.6 9 9 A F S < S- 0 0 38 -3,-1.4 51,-0.0 -4,-0.4 52,-0.0 -0.503 77.9-129.4 -80.7 125.2 19.6 25.9 11.1 10 10 A P + 0 0 57 0, 0.0 2,-0.3 0, 0.0 51,-0.2 -0.421 34.9 177.7 -65.1 147.8 21.1 28.8 13.1 11 11 A R - 0 0 105 49,-0.1 46,-0.2 48,-0.1 2,-0.2 -0.976 25.5-129.6-151.4 141.8 18.7 30.0 15.8 12 12 A L - 0 0 42 44,-2.0 2,-0.8 -2,-0.3 3,-0.2 -0.502 30.7-112.5 -83.3 161.6 18.8 32.6 18.6 13 13 A E + 0 0 90 -2,-0.2 -1,-0.0 1,-0.2 -2,-0.0 -0.867 57.4 140.1-102.4 100.9 17.8 31.6 22.1 14 14 A F S S+ 0 0 12 -2,-0.8 -1,-0.2 38,-0.1 31,-0.1 0.513 73.0 40.7-108.3 -17.7 14.5 33.5 23.1 15 15 A I S S- 0 0 18 1,-0.2 2,-0.6 -3,-0.2 -2,-0.1 0.882 72.4-175.7-103.4 -53.0 12.8 30.7 25.0 16 16 A G + 0 0 66 27,-0.1 -1,-0.2 3,-0.0 3,-0.1 -0.824 59.7 29.4 90.2-121.2 15.3 28.9 27.2 17 17 A A S S- 0 0 67 -2,-0.6 0, 0.0 1,-0.2 0, 0.0 -0.248 100.3 -82.7 -75.7 158.1 13.7 25.9 29.0 18 18 A P - 0 0 79 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.306 51.7-111.4 -50.7 137.9 10.8 23.9 27.6 19 19 A T - 0 0 7 1,-0.1 21,-0.1 -3,-0.1 24,-0.0 -0.433 46.5 -84.0 -69.9 155.2 7.5 25.7 28.3 20 20 A P - 0 0 44 0, 0.0 19,-3.2 0, 0.0 2,-0.5 -0.176 30.6-156.0 -63.8 145.6 5.2 23.8 30.9 21 21 A L E -A 38 0A 34 17,-0.2 2,-0.3 -3,-0.1 17,-0.2 -0.981 28.6-173.7-121.8 114.5 2.9 21.0 29.7 22 22 A E E -A 37 0A 42 15,-2.5 15,-2.4 -2,-0.5 2,-0.2 -0.862 27.2-124.7-122.3 142.5 0.2 20.9 32.4 23 23 A Y E -A 36 0A 83 -2,-0.3 13,-0.2 13,-0.2 288,-0.0 -0.613 19.5-146.7 -79.1 144.6 -2.8 18.8 33.3 24 24 A L > + 0 0 2 11,-2.6 4,-2.7 -2,-0.2 11,-0.3 -0.798 22.8 173.7-112.3 84.9 -6.1 20.7 33.6 25 25 A P H > S+ 0 0 63 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.792 74.5 44.1 -70.6 -30.4 -7.9 18.9 36.3 26 26 A R H > S+ 0 0 78 252,-0.2 4,-2.1 2,-0.2 5,-0.2 0.910 116.5 45.5 -84.3 -36.5 -10.9 21.1 36.7 27 27 A L H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.924 114.1 51.6 -65.5 -41.5 -11.5 21.6 33.0 28 28 A S H X>S+ 0 0 3 -4,-2.7 4,-1.7 1,-0.2 5,-1.0 0.889 109.4 49.9 -60.3 -44.5 -11.0 17.8 32.5 29 29 A D H <5S+ 0 0 138 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.898 114.8 43.6 -59.4 -42.4 -13.6 17.1 35.3 30 30 A Y H <5S+ 0 0 151 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.866 119.7 41.1 -72.0 -41.6 -16.1 19.5 33.6 31 31 A L H <5S- 0 0 23 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.640 103.5-127.9 -85.3 -17.2 -15.6 18.2 30.0 32 32 A G T <5S+ 0 0 68 -4,-1.7 2,-0.3 -5,-0.3 -3,-0.2 0.753 76.5 84.2 81.8 26.5 -15.4 14.5 31.0 33 33 A R S + b 0 314A 10 -19,-3.2 3,-1.5 -2,-0.7 10,-0.1 -0.372 48.2 142.8 -88.2 67.5 2.0 26.7 27.8 40 40 A D G > + 0 0 0 -2,-1.9 9,-1.3 274,-0.7 3,-0.8 0.513 64.4 77.6 -79.7 -0.2 3.5 28.5 24.9 41 41 A D G 3 S+ 0 0 28 1,-0.2 -1,-0.3 7,-0.2 276,-0.1 0.634 87.6 61.4 -78.8 -7.9 1.7 31.6 26.2 42 42 A V G < + 0 0 23 -3,-1.5 -1,-0.2 272,-0.2 -2,-0.2 0.287 64.4 135.1-104.9 15.6 4.5 31.7 28.8 43 43 A T < - 0 0 4 -3,-0.8 -28,-0.1 1,-0.1 5,-0.1 -0.320 64.8-118.4 -57.6 142.0 7.5 32.2 26.5 44 44 A P S S+ 0 0 14 0, 0.0 2,-0.6 0, 0.0 3,-0.2 0.436 79.3 97.4 -85.8 5.0 9.4 35.0 28.4 45 45 A I S > S- 0 0 7 1,-0.2 3,-2.5 -31,-0.1 557,-0.1 -0.802 102.3 -37.4 -96.0 127.4 9.5 37.9 25.9 46 46 A A T 3 S- 0 0 4 555,-0.8 -1,-0.2 -2,-0.6 40,-0.1 0.753 126.6 -32.1 31.8 64.5 6.9 40.7 26.2 47 47 A M T 3 S- 0 0 45 -3,-0.2 -1,-0.3 556,-0.1 270,-0.2 0.476 99.8-120.7 76.0 7.5 3.8 38.7 27.2 48 48 A G < + 0 0 0 -3,-2.5 269,-0.3 -6,-0.1 2,-0.2 0.108 43.4 155.0 76.2-171.1 4.8 35.5 25.3 49 49 A G > - 0 0 0 -9,-1.3 3,-0.7 267,-0.1 4,-0.4 -0.613 56.7 -66.2 130.8 175.4 3.2 33.5 22.5 50 50 A N T >> S+ 0 0 19 265,-2.3 4,-0.8 1,-0.2 3,-0.6 0.687 113.7 70.8 -68.4 -22.1 3.9 31.1 19.6 51 51 A K H 3> S+ 0 0 16 264,-0.3 4,-3.0 1,-0.2 3,-0.4 0.807 81.5 72.0 -78.1 -24.0 5.8 33.6 17.4 52 52 A L H <> S+ 0 0 0 -3,-0.7 4,-1.7 1,-0.2 -1,-0.2 0.884 95.8 53.6 -51.7 -42.7 8.8 33.6 19.7 53 53 A R H <> S+ 0 0 6 -3,-0.6 4,-0.6 -4,-0.4 -1,-0.2 0.885 111.2 44.1 -62.6 -37.4 9.7 30.1 18.5 54 54 A K H >X S+ 0 0 1 -4,-0.8 4,-2.7 -3,-0.4 3,-1.0 0.917 109.1 58.3 -74.5 -38.2 9.6 31.1 14.8 55 55 A L H 3X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.3 5,-0.5 0.797 92.6 67.1 -61.2 -33.4 11.5 34.3 15.5 56 56 A E H 3X S+ 0 0 6 -4,-1.7 -44,-2.0 -5,-0.2 4,-0.8 0.898 113.1 33.0 -50.1 -43.7 14.4 32.3 16.9 57 57 A F H <>S+ 0 0 1 -4,-2.4 5,-1.9 1,-0.2 3,-0.6 0.945 111.5 46.4 -60.2 -49.1 18.2 38.0 9.4 63 63 A L H ><5S+ 0 0 76 -4,-2.8 3,-1.2 1,-0.2 -1,-0.2 0.805 107.4 56.7 -61.2 -35.1 21.4 38.6 11.4 64 64 A R H 3<5S+ 0 0 191 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.797 108.0 49.1 -68.8 -28.7 23.3 36.2 9.3 65 65 A E T <<5S- 0 0 106 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.341 117.1-113.2 -86.9 2.6 22.4 38.3 6.2 66 66 A G T < 5 + 0 0 30 -3,-1.2 -3,-0.2 1,-0.2 -2,-0.1 0.604 59.2 160.1 70.9 9.9 23.4 41.6 7.9 67 67 A A < - 0 0 9 -5,-1.9 -1,-0.2 -6,-0.2 3,-0.1 -0.331 22.4-175.1 -56.0 142.3 19.8 42.9 8.1 68 68 A D + 0 0 56 84,-2.5 26,-2.6 1,-0.2 2,-0.3 0.283 64.8 53.5-122.4 8.8 19.4 45.7 10.6 69 69 A T E -fg 94 153B 0 83,-1.2 85,-2.1 24,-0.2 2,-0.4 -0.992 65.8-148.5-146.2 131.5 15.6 46.2 10.4 70 70 A L E -fg 95 154B 0 24,-3.2 26,-2.2 -2,-0.3 2,-0.4 -0.882 15.3-168.9-100.6 135.8 12.6 43.7 10.7 71 71 A I E +fg 96 155B 0 83,-2.4 85,-4.1 -2,-0.4 2,-0.3 -0.990 18.0 145.8-125.3 134.9 9.6 44.3 8.7 72 72 A T E -f 97 0B 0 24,-1.8 26,-2.4 -2,-0.4 2,-0.3 -0.875 28.1-138.1-153.5-177.4 6.2 42.5 9.1 73 73 A A E +f 98 0B 0 83,-0.4 86,-0.5 -2,-0.3 2,-0.3 -0.952 30.1 129.3-145.4 159.3 2.5 43.0 8.8 74 74 A G E -f 99 0B 7 24,-1.9 26,-1.4 -2,-0.3 2,-0.0 -0.956 57.8 -52.5 172.9-178.1 -0.7 42.0 10.7 75 75 A A E > -f 100 0B 4 -2,-0.3 3,-2.2 24,-0.2 26,-0.2 -0.321 60.7 -99.4 -66.2 165.3 -3.9 43.5 12.2 76 76 A I T 3 S+ 0 0 8 24,-2.1 25,-0.1 1,-0.3 -1,-0.1 0.898 128.0 43.1 -53.8 -39.0 -3.6 46.4 14.7 77 77 A Q T 3 S+ 0 0 8 38,-0.1 -1,-0.3 39,-0.1 38,-0.2 0.165 83.3 146.9 -96.2 21.3 -4.0 43.8 17.5 78 78 A S <> - 0 0 6 -3,-2.2 4,-1.4 1,-0.2 5,-0.1 -0.314 38.8-160.0 -55.5 122.7 -1.6 41.2 16.0 79 79 A N H > S+ 0 0 11 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.816 93.5 60.6 -66.8 -34.5 0.3 39.2 18.6 80 80 A H H > S+ 0 0 8 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.924 104.6 46.0 -55.5 -49.9 2.8 38.3 15.9 81 81 A V H > S+ 0 0 1 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.929 111.7 52.6 -58.8 -44.8 3.7 42.0 15.3 82 82 A R H X S+ 0 0 0 -4,-1.4 4,-2.3 1,-0.2 -2,-0.2 0.914 112.0 45.0 -61.2 -46.1 4.0 42.6 19.1 83 83 A Q H X S+ 0 0 1 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.890 114.4 49.5 -61.9 -45.9 6.5 39.7 19.5 84 84 A T H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.947 112.7 46.9 -55.7 -47.7 8.4 40.8 16.4 85 85 A A H X S+ 0 0 1 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.891 112.1 51.5 -65.1 -35.7 8.6 44.3 17.7 86 86 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.913 110.5 46.1 -69.7 -41.5 9.7 43.1 21.1 87 87 A V H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 6,-0.2 0.891 110.4 54.4 -70.2 -41.1 12.5 41.0 19.8 88 88 A A H X>S+ 0 0 1 -4,-2.5 5,-3.1 2,-0.2 4,-0.5 0.920 109.5 48.4 -48.7 -48.4 13.6 43.9 17.5 89 89 A A H ><5S+ 0 0 6 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.918 110.1 51.4 -63.4 -43.9 13.9 46.2 20.5 90 90 A K H 3<5S+ 0 0 45 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.847 116.7 39.9 -63.2 -34.9 15.8 43.6 22.5 91 91 A L H 3<5S- 0 0 65 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.387 112.5-115.4 -95.3 1.9 18.3 43.1 19.7 92 92 A G T <<5 + 0 0 37 -3,-1.0 2,-0.3 -4,-0.5 -3,-0.2 0.791 66.3 147.0 69.6 26.3 18.5 46.9 18.8 93 93 A L < - 0 0 19 -5,-3.1 -1,-0.2 -6,-0.2 -24,-0.2 -0.731 52.1-116.4 -88.1 148.0 17.0 46.2 15.3 94 94 A H E -f 69 0B 24 -26,-2.6 -24,-3.2 -2,-0.3 2,-0.3 -0.430 32.9-159.3 -72.9 156.6 14.8 48.7 13.7 95 95 A C E -f 70 0B 5 28,-0.3 30,-3.0 -26,-0.2 2,-0.4 -0.980 14.4-174.2-145.1 128.9 11.2 47.5 13.1 96 96 A V E -fh 71 125B 0 -26,-2.2 -24,-1.8 -2,-0.3 2,-0.5 -0.992 10.9-163.6-125.6 129.3 8.5 48.6 10.7 97 97 A A E -fh 72 126B 0 28,-2.7 30,-3.4 -2,-0.4 2,-0.7 -0.959 12.2-152.1-119.9 131.9 5.0 47.2 10.9 98 98 A L E -fh 73 127B 13 -26,-2.4 -24,-1.9 -2,-0.5 2,-0.3 -0.895 28.1-172.4-102.0 111.3 2.3 47.4 8.3 99 99 A L E -fh 74 128B 0 28,-2.2 30,-2.2 -2,-0.7 2,-0.3 -0.799 13.1-172.4-111.6 145.7 -1.0 47.2 10.2 100 100 A E E -f 75 0B 33 -26,-1.4 -24,-2.1 -2,-0.3 30,-0.1 -0.923 28.0-126.6-123.6 162.5 -4.6 47.0 9.1 101 101 A N > - 0 0 43 28,-0.4 3,-0.8 -2,-0.3 -26,-0.1 -0.885 29.1-178.2 -98.3 100.8 -7.9 47.2 10.8 102 102 A P T 3 S+ 0 0 42 0, 0.0 -1,-0.1 0, 0.0 159,-0.1 0.619 76.0 43.3 -81.9 -11.9 -9.5 44.0 9.8 103 103 A I T 3 S- 0 0 44 159,-0.1 159,-0.0 2,-0.1 -2,-0.0 0.342 99.7-124.3-110.9 2.9 -12.8 44.4 11.5 104 104 A G < + 0 0 64 -3,-0.8 2,-0.1 1,-0.2 -3,-0.0 0.628 53.9 158.6 60.5 25.0 -13.6 48.1 10.7 105 105 A T - 0 0 11 1,-0.1 -1,-0.2 2,-0.1 -2,-0.1 -0.335 36.2-167.0 -74.8 152.6 -14.0 49.0 14.4 106 106 A T + 0 0 128 222,-0.4 -1,-0.1 -2,-0.1 222,-0.0 0.283 43.0 137.2-113.4 8.2 -13.6 52.5 15.7 107 107 A A > - 0 0 20 221,-0.4 4,-2.2 1,-0.1 3,-0.2 -0.303 55.2-135.8 -62.5 129.5 -13.4 51.3 19.4 108 108 A E H > S+ 0 0 81 1,-0.2 4,-2.0 2,-0.2 5,-0.4 0.894 99.5 50.8 -59.0 -41.3 -10.7 53.2 21.3 109 109 A N H > S+ 0 0 15 1,-0.2 4,-2.1 218,-0.2 -1,-0.2 0.862 112.3 48.4 -64.8 -32.4 -9.2 50.2 23.1 110 110 A Y H 4 S+ 0 0 2 217,-0.2 -1,-0.2 -3,-0.2 -2,-0.2 0.903 115.0 45.0 -69.7 -46.4 -8.9 48.2 19.9 111 111 A L H < S+ 0 0 61 -4,-2.2 -2,-0.2 212,-0.1 -1,-0.2 0.779 135.8 7.3 -68.8 -28.9 -7.3 51.1 18.1 112 112 A T H < S+ 0 0 55 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.524 112.3 68.9-136.0 -8.9 -4.8 52.1 20.9 113 113 A N S >X S+ 0 0 0 -4,-2.1 3,-1.2 -5,-0.4 4,-0.7 -0.287 83.5 24.1-102.8-170.6 -4.7 49.6 23.8 114 114 A G H 3> S- 0 0 0 1,-0.3 4,-1.5 2,-0.2 3,-0.3 -0.243 128.8 -3.6 63.9-140.6 -3.5 46.0 24.1 115 115 A N H 3> S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.852 133.8 58.9 -56.5 -36.3 -0.8 44.9 21.6 116 116 A R H <> S+ 0 0 48 -3,-1.2 4,-1.2 1,-0.2 -1,-0.2 0.871 101.5 54.1 -65.1 -42.1 -1.0 48.2 19.8 117 117 A L H >X S+ 0 0 27 -4,-0.7 4,-1.5 -3,-0.3 3,-0.5 0.934 107.4 51.6 -48.5 -50.8 -0.0 50.0 23.1 118 118 A L H 3X S+ 0 0 0 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.868 98.9 64.6 -60.7 -39.0 3.1 47.8 23.4 119 119 A L H 3<>S+ 0 0 0 -4,-1.9 5,-2.2 1,-0.2 -1,-0.2 0.910 102.3 49.4 -54.2 -40.7 4.2 48.5 19.8 120 120 A D H X<5S+ 0 0 85 -4,-1.2 3,-1.5 -3,-0.5 -1,-0.2 0.899 106.6 54.7 -67.0 -35.6 4.7 52.2 20.8 121 121 A L H 3<5S+ 0 0 26 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.875 107.9 51.1 -61.6 -33.8 6.7 51.1 23.9 122 122 A F T 3<5S- 0 0 8 -4,-2.1 -1,-0.3 479,-0.1 -2,-0.2 0.416 113.7-119.0 -82.1 2.8 9.0 49.2 21.6 123 123 A N T < 5 + 0 0 37 -3,-1.5 -28,-0.3 1,-0.2 -3,-0.2 0.815 49.0 174.4 60.4 34.5 9.5 52.2 19.2 124 124 A T < - 0 0 10 -5,-2.2 2,-0.6 -30,-0.1 -28,-0.2 -0.462 34.1-127.3 -68.4 137.7 8.0 50.4 16.3 125 125 A Q E -h 96 0B 32 -30,-3.0 -28,-2.7 -2,-0.2 2,-0.5 -0.796 32.7-154.6 -83.0 123.5 7.6 52.4 13.1 126 126 A I E -h 97 0B 24 -2,-0.6 2,-0.5 -30,-0.2 -28,-0.2 -0.862 17.0-175.9-109.6 129.4 4.0 51.9 12.3 127 127 A E E -h 98 0B 17 -30,-3.4 -28,-2.2 -2,-0.5 2,-0.2 -0.984 14.9-146.6-123.3 126.0 2.4 52.2 8.9 128 128 A M E -h 99 0B 104 -2,-0.5 2,-0.3 -30,-0.2 -28,-0.2 -0.509 14.7-174.8 -81.0 147.2 -1.3 51.9 8.3 129 129 A C - 0 0 28 -30,-2.2 -28,-0.4 -2,-0.2 3,-0.2 -0.961 34.1-121.9-129.3 162.1 -2.9 50.4 5.2 130 130 A D S S- 0 0 168 -2,-0.3 -29,-0.3 1,-0.3 2,-0.3 0.876 91.6 -18.3 -53.8 -53.7 -6.5 50.1 4.2 131 131 A A - 0 0 37 -31,-0.1 2,-1.5 -3,-0.1 -1,-0.3 -0.946 58.7-117.4-155.4 149.2 -6.3 46.3 3.9 132 132 A L + 0 0 26 -2,-0.3 4,-0.1 1,-0.2 -32,-0.1 -0.716 50.9 157.0 -84.1 74.4 -3.5 43.6 3.6 133 133 A T S S+ 0 0 121 -2,-1.5 -1,-0.2 1,-0.3 4,-0.0 0.851 79.6 8.8 -67.8 -37.7 -4.9 42.6 0.2 134 134 A D S > S- 0 0 89 -3,-0.2 4,-2.8 1,-0.1 5,-0.3 -0.670 74.5-177.8-143.7 79.0 -1.5 41.1 -0.9 135 135 A P H > S+ 0 0 38 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.835 80.7 54.2 -62.7 -31.7 0.7 41.0 2.2 136 136 A D H > S+ 0 0 112 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.939 114.9 39.1 -64.3 -49.2 3.7 39.6 0.4 137 137 A A H > S+ 0 0 44 -3,-0.3 4,-2.2 2,-0.2 5,-0.2 0.874 115.7 52.2 -63.6 -40.9 3.7 42.3 -2.3 138 138 A Q H X S+ 0 0 44 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.921 109.0 49.9 -67.3 -40.0 2.8 45.1 0.2 139 139 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 -5,-0.3 -1,-0.2 0.865 109.2 53.8 -63.4 -35.0 5.7 44.1 2.5 140 140 A Q H X S+ 0 0 104 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.934 107.4 48.2 -63.3 -46.3 8.0 44.1 -0.6 141 141 A T H X S+ 0 0 96 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.898 113.0 49.6 -61.3 -42.1 7.1 47.7 -1.6 142 142 A L H X S+ 0 0 6 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.936 109.7 51.3 -63.6 -43.3 7.6 48.7 2.0 143 143 A A H X S+ 0 0 6 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.863 107.6 52.0 -64.2 -39.8 11.0 47.0 2.1 144 144 A T H X S+ 0 0 77 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.977 110.4 48.9 -58.0 -51.3 12.1 48.8 -1.1 145 145 A R H X S+ 0 0 55 -4,-2.3 4,-0.5 1,-0.2 -2,-0.2 0.884 114.5 45.2 -51.4 -42.4 11.2 52.2 0.5 146 146 A I H ><>S+ 0 0 0 -4,-2.0 5,-1.3 2,-0.2 3,-1.1 0.903 109.8 53.8 -75.3 -39.4 13.0 51.3 3.7 147 147 A E H ><5S+ 0 0 128 -4,-2.7 3,-2.7 1,-0.2 -2,-0.2 0.912 100.0 64.1 -58.2 -40.3 16.1 50.0 1.7 148 148 A A H 3<5S+ 0 0 56 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.742 97.5 56.4 -57.6 -21.6 16.1 53.4 -0.1 149 149 A Q T <<5S- 0 0 14 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.440 126.5-100.9 -86.8 -0.7 16.9 55.0 3.3 150 150 A G T < 5S+ 0 0 42 -3,-2.7 -3,-0.2 1,-0.3 -2,-0.1 0.451 80.2 131.9 95.2 -8.0 20.0 52.9 3.7 151 151 A F < - 0 0 20 -5,-1.3 -1,-0.3 750,-0.1 -84,-0.1 -0.387 56.9-132.8 -66.8 160.8 18.5 50.3 6.1 152 152 A R - 0 0 144 -86,-0.1 -84,-2.5 -2,-0.1 -83,-1.2 -0.914 33.5-159.3-119.9 94.3 19.0 46.6 5.3 153 153 A P E -g 69 0B 31 0, 0.0 2,-0.5 0, 0.0 -83,-0.2 -0.474 15.9-161.3 -86.0 145.6 15.5 45.1 5.8 154 154 A Y E -g 70 0B 25 -85,-2.1 -83,-2.4 -2,-0.1 2,-0.5 -0.989 19.4-139.3-127.4 122.8 14.5 41.5 6.4 155 155 A V E -g 71 0B 42 -2,-0.5 -83,-0.2 -85,-0.2 -85,-0.1 -0.652 11.3-162.2 -87.0 125.3 10.9 40.8 5.6 156 156 A I - 0 0 0 -85,-4.1 -83,-0.4 -2,-0.5 3,-0.1 -0.930 23.5-129.2-102.4 117.5 9.0 38.5 8.0 157 157 A P > - 0 0 33 0, 0.0 3,-3.1 0, 0.0 5,-0.1 -0.065 45.9 -66.7 -56.5 162.4 5.8 37.2 6.4 158 158 A V G > S+ 0 0 53 1,-0.3 3,-1.6 2,-0.2 -84,-0.1 -0.241 126.8 2.9 -47.9 133.2 2.4 37.5 8.1 159 159 A G G 3 S- 0 0 7 -86,-0.5 -1,-0.3 1,-0.3 3,-0.1 0.448 112.2 -94.4 65.1 -2.3 2.6 35.2 11.3 160 160 A G G < S+ 0 0 0 -3,-3.1 2,-2.0 1,-0.2 -1,-0.3 0.688 77.4 156.2 67.3 15.9 6.3 34.4 10.5 161 161 A S < + 0 0 18 -3,-1.6 2,-0.2 4,-0.1 -1,-0.2 -0.437 15.1 121.7 -84.6 67.2 4.8 31.4 8.7 162 162 A S S > S- 0 0 36 -2,-2.0 4,-2.7 -5,-0.1 5,-0.2 -0.718 80.6 -98.1-106.7 172.0 7.5 30.4 6.2 163 163 A A H > S+ 0 0 18 -2,-0.2 4,-0.6 2,-0.2 -1,-0.1 0.910 127.1 48.2 -56.9 -43.0 9.1 26.9 6.2 164 164 A L H >4 S+ 0 0 37 2,-0.2 3,-1.2 1,-0.2 4,-0.4 0.935 111.7 47.8 -60.9 -49.1 12.1 28.4 8.2 165 165 A G H >4 S+ 0 0 0 1,-0.3 3,-1.9 2,-0.2 4,-0.3 0.933 107.1 58.6 -59.2 -38.6 9.9 30.2 10.7 166 166 A A H >X S+ 0 0 0 -4,-2.7 3,-1.6 1,-0.3 4,-1.4 0.668 81.0 84.0 -71.7 -11.6 7.9 27.0 11.2 167 167 A M H S+ 0 0 2 -3,-1.9 4,-1.5 -4,-0.4 -1,-0.3 0.855 100.5 46.1 -57.8 -34.4 10.2 26.5 15.7 169 169 A Y H <> S+ 0 0 0 -3,-1.6 4,-1.6 -4,-0.3 -2,-0.2 0.771 105.3 58.6 -81.6 -20.8 7.0 24.3 15.8 170 170 A V H X S+ 0 0 0 -4,-1.4 4,-1.2 1,-0.2 3,-0.3 0.940 109.1 46.3 -63.8 -46.4 8.9 21.3 14.7 171 171 A E H X S+ 0 0 38 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.858 106.0 59.1 -62.1 -39.3 11.1 21.9 17.8 172 172 A S H X S+ 0 0 0 -4,-1.5 4,-2.7 1,-0.2 -1,-0.2 0.896 101.8 55.7 -51.3 -42.8 7.9 22.4 19.9 173 173 A A H X S+ 0 0 0 -4,-1.6 4,-2.5 -3,-0.3 -1,-0.2 0.879 103.2 54.2 -68.1 -33.2 6.9 18.8 18.9 174 174 A L H X S+ 0 0 52 -4,-1.2 4,-2.2 2,-0.2 -1,-0.2 0.913 110.1 46.3 -62.1 -45.0 10.2 17.5 20.2 175 175 A E H X S+ 0 0 31 -4,-1.8 4,-2.8 1,-0.2 -2,-0.2 0.929 112.7 50.9 -55.9 -47.9 9.6 19.1 23.6 176 176 A I H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.905 109.2 49.0 -66.8 -41.9 6.0 17.8 23.6 177 177 A A H X S+ 0 0 26 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.938 113.8 47.4 -64.1 -40.3 7.1 14.2 22.8 178 178 A Q H < S+ 0 0 141 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.902 112.3 49.2 -64.7 -41.8 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 0.811 112.3 47.2 -71.7 -31.9 7.3 15.8 28.2 180 180 A C H >X S+ 0 0 4 -4,-2.0 3,-3.2 -5,-0.2 4,-2.6 0.760 83.1 121.8 -75.2 -27.7 4.6 13.2 27.4 181 181 A E T 3< S- 0 0 89 -4,-1.6 4,-0.1 1,-0.3 -3,-0.0 -0.054 96.7 -15.2 -44.7 118.6 7.1 10.2 27.6 182 182 A E T 34 S+ 0 0 115 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.628 131.4 78.5 60.1 16.4 5.9 7.8 30.3 183 183 A V T <4 S- 0 0 102 -3,-3.2 2,-0.3 1,-0.3 -2,-0.2 0.677 103.1 -1.5-124.1 -44.6 3.5 10.6 31.6 184 184 A V < - 0 0 21 -4,-2.6 2,-1.0 2,-0.0 -1,-0.3 -0.943 52.8-139.5-151.4 142.6 0.6 10.6 29.2 185 185 A G - 0 0 62 -2,-0.3 2,-0.1 -3,-0.1 -4,-0.0 -0.803 33.9-152.2 -92.0 97.0 -0.5 8.7 26.1 186 186 A L + 0 0 15 -2,-1.0 124,-0.2 1,-0.2 3,-0.1 -0.449 23.4 179.8 -69.6 143.4 -2.0 11.5 23.9 187 187 A S + 0 0 16 122,-2.8 27,-3.1 1,-0.3 2,-0.3 0.701 68.8 19.5 -98.8 -37.3 -4.7 10.8 21.4 188 188 A S E -cd 214 310A 0 121,-2.0 123,-2.6 25,-0.2 2,-0.4 -0.965 53.7-160.3-138.6 150.4 -5.3 14.3 20.1 189 189 A V E -cd 215 311A 0 25,-2.6 27,-3.6 -2,-0.3 2,-0.4 -0.993 12.9-162.1-130.0 135.1 -3.6 17.7 19.8 190 190 A V E +cd 216 312A 0 121,-2.9 123,-2.6 -2,-0.4 2,-0.3 -0.979 16.5 162.3-119.6 132.2 -5.6 20.9 19.2 191 191 A V E -c 217 0A 0 25,-2.4 27,-2.5 -2,-0.4 2,-0.1 -0.997 42.5-103.9-143.3 148.8 -4.1 24.2 17.9 192 192 A A E -c 218 0A 9 121,-0.4 2,-0.5 -2,-0.3 7,-0.2 -0.488 32.6-147.6 -66.0 147.7 -5.5 27.3 16.3 193 193 A S E +c 219 0A 1 25,-2.9 27,-1.4 -2,-0.1 28,-0.5 -0.939 43.0 129.8-126.0 108.4 -4.8 27.4 12.5 194 194 A G S S+ 0 0 14 -2,-0.5 27,-0.1 25,-0.2 -1,-0.1 0.472 84.9 3.0-122.0 -99.1 -4.2 31.0 11.1 195 195 A S S S- 0 0 37 1,-0.1 -2,-0.1 -36,-0.0 -37,-0.0 0.652 99.7-131.5 -77.3 -15.2 -1.2 31.8 9.0 196 196 A A S > S+ 0 0 4 -4,-0.1 4,-2.6 1,-0.0 5,-0.2 0.253 73.9 115.3 94.9 -2.7 -0.4 28.1 9.5 197 197 A G H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.857 82.8 48.5 -62.2 -42.3 3.3 27.9 10.6 198 198 A T H > S+ 0 0 6 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.966 115.4 42.5 -64.3 -51.6 2.3 26.4 14.0 199 199 A H H > S+ 0 0 1 -7,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.940 118.3 46.2 -59.1 -50.1 -0.1 23.8 12.6 200 200 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.921 114.1 46.4 -66.3 -41.7 2.3 22.8 9.7 201 201 A G H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.920 115.4 46.2 -71.2 -39.4 5.4 22.7 12.0 202 202 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 -5,-0.3 5,-0.4 0.902 108.9 57.6 -65.5 -38.9 3.6 20.6 14.6 203 203 A A H X S+ 0 0 7 -4,-3.0 4,-2.6 -5,-0.3 -2,-0.2 0.963 110.2 42.4 -56.0 -47.6 2.2 18.4 11.8 204 204 A V H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.947 118.1 45.6 -64.1 -50.2 5.7 17.5 10.6 205 205 A G H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.951 115.5 45.6 -56.6 -51.6 7.1 17.0 14.1 206 206 A L H X S+ 0 0 6 -4,-2.8 4,-3.2 1,-0.3 7,-0.2 0.887 107.0 57.8 -65.7 -41.6 4.2 15.0 15.3 207 207 A E H < S+ 0 0 35 -4,-2.6 -1,-0.3 -5,-0.4 -2,-0.2 0.882 116.7 36.5 -50.6 -41.9 4.1 12.8 12.2 208 208 A H H < S+ 0 0 48 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.800 128.7 31.0 -87.9 -27.2 7.7 11.8 12.9 209 209 A L H < S+ 0 0 45 -4,-2.7 -3,-0.2 1,-0.2 -2,-0.2 0.682 135.4 17.9-102.4 -24.8 7.7 11.7 16.7 210 210 A M >< + 0 0 31 -4,-3.2 3,-1.8 -5,-0.3 -1,-0.2 -0.478 67.2 172.3-143.4 70.4 4.1 10.6 17.6 211 211 A P T 3 S+ 0 0 93 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.709 76.0 53.0 -61.2 -20.5 2.6 9.1 14.4 212 212 A D T 3 S+ 0 0 153 -6,-0.1 2,-0.3 2,-0.1 -5,-0.1 0.598 83.7 102.5 -96.0 -5.8 -0.6 7.8 16.1 213 213 A V S < S- 0 0 21 -3,-1.8 2,-0.7 -7,-0.2 -25,-0.2 -0.560 71.9-131.1 -77.3 136.4 -1.6 11.2 17.7 214 214 A E E -c 188 0A 38 -27,-3.1 -25,-2.6 -2,-0.3 2,-0.6 -0.786 17.7-153.4 -89.1 116.3 -4.4 13.0 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34.4-125.8 -68.2 135.1 2.2 66.9 28.5 1097 125 D Q E -f 1068 0H 39 -30,-2.7 -28,-2.9 -2,-0.2 2,-0.4 -0.773 30.8-150.4 -78.4 122.8 -0.7 64.9 29.8 1098 126 D I E -f 1069 0H 28 -2,-0.6 2,-0.5 -30,-0.2 -28,-0.2 -0.820 18.1-176.6-106.6 131.3 -3.5 65.5 27.2 1099 127 D E E -f 1070 0H 45 -30,-2.7 -28,-2.3 -2,-0.4 2,-0.2 -0.983 15.9-149.3-128.9 115.8 -7.1 65.5 28.0 1100 128 D M E -f 1071 0H 102 -2,-0.5 2,-0.3 -30,-0.2 -28,-0.2 -0.517 13.4-172.2 -87.3 150.1 -9.5 65.9 25.1 1101 129 D C - 0 0 23 -30,-2.1 -28,-0.4 -2,-0.2 3,-0.2 -0.982 33.8-120.8-140.0 155.0 -12.9 67.6 25.5 1102 130 D D S S- 0 0 168 -2,-0.3 -29,-0.3 1,-0.3 2,-0.3 0.919 90.5 -22.4 -59.8 -45.1 -15.8 68.0 23.1 1103 131 D A - 0 0 38 -31,-0.1 2,-1.5 -3,-0.1 3,-0.3 -0.969 57.2-114.7-163.9 150.7 -15.7 71.8 23.4 1104 132 D L + 0 0 25 -2,-0.3 -32,-0.1 1,-0.2 -57,-0.0 -0.562 54.8 146.9 -89.2 70.5 -14.5 74.5 25.6 1105 133 D T S S+ 0 0 124 -2,-1.5 -1,-0.2 1,-0.2 0, 0.0 0.903 81.5 15.6 -74.8 -39.2 -17.9 75.8 26.5 1106 134 D D S > S+ 0 0 88 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