==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-MAY-07 2Q3B . COMPND 2 MOLECULE: CYSTEINE SYNTHASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR G.SCHNEIDER,R.SCHNELL . 300 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13435.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 210 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 2.7 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 . 15 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 31.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 3.0 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 0 0 0 0 2 1 0 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 0 4 1 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 . 2 0 1 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 1 0 1 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 0 217 0, 0.0 2,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 147.0 -20.4 -31.1 -10.4 2 2 A S + 0 0 132 2,-0.0 2,-0.4 0, 0.0 0, 0.0 -0.807 360.0 138.7-113.4 84.2 -20.3 -27.7 -8.6 3 3 A I - 0 0 114 -2,-0.7 2,-0.2 0, 0.0 3,-0.0 -0.993 47.5-132.9-133.1 122.4 -18.0 -25.7 -10.8 4 4 A A - 0 0 35 -2,-0.4 3,-0.1 1,-0.1 -2,-0.0 -0.488 8.6-141.6 -71.7 142.7 -18.6 -22.0 -11.8 5 5 A E S S- 0 0 158 1,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.774 82.9 -6.6 -75.3 -26.9 -18.2 -21.2 -15.5 6 6 A D S > S- 0 0 57 1,-0.0 3,-1.9 -3,-0.0 -1,-0.2 -0.975 79.5 -94.2-161.1 167.4 -16.6 -17.9 -14.6 7 7 A I G > S+ 0 0 71 -2,-0.3 3,-1.9 1,-0.3 75,-0.1 0.774 114.8 67.1 -60.7 -28.2 -15.9 -15.7 -11.6 8 8 A T G > S+ 0 0 15 1,-0.3 3,-0.9 2,-0.2 -1,-0.3 0.736 91.6 62.6 -68.8 -18.5 -19.1 -13.6 -12.0 9 9 A Q G < S+ 0 0 97 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.532 97.7 59.7 -77.3 -6.5 -21.1 -16.7 -11.1 10 10 A L G < S+ 0 0 94 -3,-1.9 2,-0.3 -4,-0.2 -1,-0.2 0.118 78.8 117.9-108.0 18.2 -19.5 -16.7 -7.7 11 11 A I S < S- 0 0 15 -3,-0.9 2,-0.1 27,-0.1 27,-0.1 -0.626 70.6 -2.1 -86.6 145.0 -20.7 -13.2 -6.8 12 12 A G + 0 0 10 -2,-0.3 145,-0.0 23,-0.1 -3,-0.0 -0.374 67.6 117.3 74.8-152.1 -23.0 -12.8 -3.7 13 13 A R + 0 0 155 1,-0.2 -1,-0.1 -2,-0.1 145,-0.0 0.915 53.0 175.3 48.3 50.2 -24.3 -15.6 -1.5 14 14 A T - 0 0 3 1,-0.1 -1,-0.2 19,-0.0 21,-0.1 -0.502 24.2-112.0 -87.6 152.5 -22.4 -14.0 1.4 15 15 A P - 0 0 48 0, 0.0 19,-2.6 0, 0.0 2,-0.4 -0.320 13.0-129.1 -86.3 164.0 -22.7 -15.4 4.9 16 16 A L E -A 33 0A 45 17,-0.2 2,-0.4 -2,-0.1 17,-0.2 -0.892 22.6-170.4-102.7 141.8 -24.1 -14.1 8.1 17 17 A V E -A 32 0A 52 15,-2.4 15,-3.1 -2,-0.4 2,-0.4 -0.996 22.3-121.8-132.2 139.8 -22.1 -14.1 11.3 18 18 A R E -A 31 0A 138 -2,-0.4 2,-0.4 13,-0.2 13,-0.2 -0.613 23.5-129.6 -77.8 128.6 -23.2 -13.4 14.9 19 19 A L + 0 0 7 11,-2.5 11,-0.3 -2,-0.4 240,-0.1 -0.679 31.5 172.4 -75.9 131.4 -21.5 -10.5 16.7 20 20 A R S S+ 0 0 140 -2,-0.4 -1,-0.1 238,-0.1 3,-0.1 0.744 71.4 18.8-111.0 -38.7 -20.3 -11.8 20.1 21 21 A R S S+ 0 0 135 1,-0.2 2,-2.0 234,-0.1 3,-0.3 0.730 109.7 68.4-111.1 -35.3 -18.2 -9.0 21.7 22 22 A V S S+ 0 0 0 1,-0.2 -1,-0.2 233,-0.1 -3,-0.1 -0.568 78.0 96.6 -87.8 71.6 -19.1 -5.8 19.9 23 23 A T > + 0 0 41 -2,-2.0 3,-2.5 -3,-0.1 -1,-0.2 0.061 48.7 168.1-149.5 20.4 -22.6 -6.0 21.5 24 24 A D T 3 S- 0 0 81 -3,-0.3 255,-0.0 1,-0.3 -3,-0.0 -0.241 76.7 -2.7 -57.9 120.2 -22.3 -3.7 24.5 25 25 A G T 3 S+ 0 0 56 1,-0.2 -1,-0.3 2,-0.0 2,-0.1 0.359 93.3 151.3 83.8 -3.7 -25.8 -3.1 25.9 26 26 A A < + 0 0 31 -3,-2.5 253,-0.3 1,-0.2 -1,-0.2 -0.393 25.4 173.5 -68.1 132.0 -27.6 -5.1 23.2 27 27 A V + 0 0 70 251,-3.3 258,-2.3 -2,-0.1 2,-0.3 0.397 69.2 67.0-107.4 -6.9 -30.9 -6.7 24.1 28 28 A A S S- 0 0 11 250,-1.1 2,-0.4 256,-0.3 259,-0.2 -0.752 93.6-103.4-106.0 159.4 -31.4 -7.8 20.5 29 29 A D E - b 0 287A 53 257,-2.7 259,-3.0 -2,-0.3 2,-0.5 -0.687 33.8-157.0 -78.4 130.8 -29.4 -10.3 18.5 30 30 A I E + b 0 288A 3 -2,-0.4 -11,-2.5 -11,-0.3 2,-0.4 -0.967 13.5 177.9-115.1 120.7 -27.0 -8.6 16.0 31 31 A V E -Ab 18 289A 8 257,-2.8 259,-2.6 -2,-0.5 2,-0.4 -0.976 17.5-142.1-123.0 139.1 -25.8 -10.6 12.9 32 32 A A E -Ab 17 290A 0 -15,-3.1 -15,-2.4 -2,-0.4 2,-0.6 -0.834 5.2-142.0-106.4 133.8 -23.6 -9.2 10.2 33 33 A K E -Ab 16 291A 0 257,-2.6 259,-2.6 -2,-0.4 2,-1.3 -0.880 21.9-142.7 -95.0 119.7 -23.8 -9.9 6.5 34 34 A L E > + b 0 292A 9 -19,-2.6 3,-2.0 -2,-0.6 4,-0.1 -0.613 27.9 171.6 -96.1 84.7 -20.2 -10.1 5.3 35 35 A E G > + 0 0 0 257,-1.6 3,-1.6 -2,-1.3 -1,-0.2 0.635 69.4 80.8 -71.5 -10.0 -20.1 -8.6 1.8 36 36 A F G 3 S+ 0 0 25 256,-0.4 -1,-0.3 258,-0.3 5,-0.3 0.667 75.5 76.3 -66.2 -13.5 -16.2 -8.8 1.9 37 37 A F G < S+ 0 0 123 -3,-2.0 -1,-0.3 -22,-0.1 -2,-0.2 0.617 70.8 107.0 -73.2 -10.8 -16.8 -12.5 0.9 38 38 A N S X S- 0 0 1 -3,-1.6 3,-2.2 -4,-0.1 -27,-0.1 -0.290 91.4-102.8 -60.3 154.4 -17.5 -11.3 -2.7 39 39 A P T 3 S+ 0 0 43 0, 0.0 -1,-0.1 0, 0.0 -28,-0.1 0.807 122.5 36.7 -57.2 -34.3 -14.7 -12.1 -5.1 40 40 A A T 3 S- 0 0 2 2,-0.3 4,-0.1 34,-0.0 -3,-0.1 0.060 120.5-105.6-107.7 24.8 -13.3 -8.5 -5.2 41 41 A N S < S+ 0 0 55 -3,-2.2 254,-1.5 -5,-0.3 2,-0.3 0.554 84.8 80.8 71.6 18.3 -14.0 -7.9 -1.5 42 42 A S B > S-F 294 0B 0 252,-0.2 3,-1.4 -6,-0.1 -2,-0.3 -0.992 81.5-112.7-147.8 163.3 -17.1 -5.7 -1.6 43 43 A V T >> S+ 0 0 1 250,-2.3 3,-1.6 -2,-0.3 4,-0.5 0.714 103.7 78.0 -54.0 -30.0 -20.8 -5.5 -2.1 44 44 A X H 3> S+ 0 0 17 1,-0.3 4,-2.7 249,-0.2 3,-0.3 0.711 72.3 78.1 -66.0 -19.3 -20.4 -3.7 -5.4 45 45 A D H <> S+ 0 0 0 -3,-1.4 4,-2.2 1,-0.2 5,-0.3 0.894 90.6 58.0 -50.4 -39.4 -19.5 -6.9 -7.2 46 46 A R H <> S+ 0 0 2 -3,-1.6 4,-2.0 -4,-0.2 -1,-0.2 0.916 111.7 37.7 -58.1 -46.5 -23.3 -7.6 -7.2 47 47 A I H X S+ 0 0 1 -4,-0.5 4,-2.7 -3,-0.3 5,-0.3 0.790 110.2 61.2 -81.1 -28.3 -24.1 -4.4 -9.1 48 48 A G H X S+ 0 0 0 -4,-2.7 4,-1.3 2,-0.2 -2,-0.2 0.955 114.6 34.7 -59.4 -50.2 -21.0 -4.6 -11.4 49 49 A V H X S+ 0 0 9 -4,-2.2 4,-2.9 -5,-0.2 -2,-0.2 0.905 118.2 53.7 -69.9 -38.5 -22.3 -7.9 -12.8 50 50 A A H X S+ 0 0 6 -4,-2.0 4,-2.6 -5,-0.3 5,-0.2 0.912 107.9 48.7 -65.8 -43.1 -26.0 -6.9 -12.6 51 51 A M H X S+ 0 0 1 -4,-2.7 4,-1.6 2,-0.2 -1,-0.2 0.896 115.6 43.4 -65.0 -40.5 -25.6 -3.7 -14.5 52 52 A L H X S+ 0 0 0 -4,-1.3 4,-2.8 -5,-0.3 -2,-0.2 0.887 113.0 53.4 -71.0 -37.6 -23.6 -5.4 -17.3 53 53 A Q H X S+ 0 0 66 -4,-2.9 4,-2.8 2,-0.2 -2,-0.2 0.916 108.6 49.0 -59.3 -45.5 -26.1 -8.4 -17.3 54 54 A A H X S+ 0 0 38 -4,-2.6 4,-1.1 2,-0.2 -1,-0.2 0.886 112.0 49.2 -63.5 -38.7 -29.0 -6.0 -17.7 55 55 A A H <>S+ 0 0 2 -4,-1.6 5,-2.7 2,-0.2 6,-0.5 0.935 112.2 47.9 -64.9 -46.9 -27.3 -4.3 -20.6 56 56 A E H ><5S+ 0 0 57 -4,-2.8 3,-1.6 1,-0.2 -2,-0.2 0.928 111.9 49.7 -56.2 -48.5 -26.5 -7.6 -22.2 57 57 A Q H 3<5S+ 0 0 155 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.685 111.3 49.7 -67.8 -19.5 -30.0 -8.8 -21.8 58 58 A A T 3<5S- 0 0 65 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.277 114.2-114.8-102.2 7.3 -31.3 -5.6 -23.3 59 59 A G T < 5S+ 0 0 40 -3,-1.6 -3,-0.2 -4,-0.2 -2,-0.1 0.777 77.5 128.6 68.8 28.3 -29.1 -5.7 -26.4 60 60 A L < + 0 0 89 -5,-2.7 2,-0.6 -6,-0.2 -4,-0.2 0.641 46.2 86.1 -91.2 -16.5 -27.1 -2.6 -25.4 61 61 A I - 0 0 36 -6,-0.5 -2,-0.0 -9,-0.1 -9,-0.0 -0.778 61.7-173.2 -89.8 122.0 -23.7 -4.2 -25.6 62 62 A K > - 0 0 117 -2,-0.6 3,-1.8 76,-0.2 -2,-0.1 -0.639 41.3 -97.0-110.2 165.9 -22.3 -4.0 -29.2 63 63 A P T 3 S+ 0 0 143 0, 0.0 -2,-0.0 0, 0.0 -1,-0.0 0.732 125.6 37.8 -55.1 -24.3 -19.2 -5.4 -30.7 64 64 A D T 3 S+ 0 0 92 2,-0.1 2,-0.0 75,-0.0 -3,-0.0 0.218 86.3 137.3-111.9 12.1 -17.3 -2.1 -30.2 65 65 A T < - 0 0 22 -3,-1.8 24,-0.5 74,-0.1 2,-0.4 -0.336 35.6-162.2 -62.9 138.3 -18.8 -1.2 -26.9 66 66 A I E -gh 89 139C 5 72,-2.2 74,-2.7 22,-0.1 2,-0.3 -0.992 19.1-128.7-120.2 127.6 -16.4 0.2 -24.2 67 67 A I E -gh 90 140C 1 22,-2.7 24,-3.3 -2,-0.4 2,-0.4 -0.640 31.5-176.6 -79.0 133.8 -17.6 0.3 -20.6 68 68 A L E +g 91 0C 0 72,-2.4 24,-0.2 -2,-0.3 22,-0.0 -0.995 11.3 156.1-136.7 126.9 -17.2 3.8 -19.0 69 69 A E E -g 92 0C 6 22,-1.6 24,-1.4 -2,-0.4 2,-0.5 -0.976 37.4-129.8-150.4 139.2 -17.9 4.9 -15.5 70 70 A P E +g 93 0C 21 0, 0.0 2,-0.3 0, 0.0 24,-0.2 -0.766 46.6 160.3 -82.4 129.7 -16.7 7.7 -13.2 71 71 A T + 0 0 6 22,-2.6 -2,-0.1 -2,-0.5 21,-0.0 -0.964 39.2 172.3-159.2 134.4 -15.7 6.2 -9.9 72 72 A S S S+ 0 0 57 -2,-0.3 2,-0.1 22,-0.1 -1,-0.1 0.217 77.3 39.2-118.1 7.7 -13.6 6.8 -6.8 73 73 A G S >> S- 0 0 26 149,-0.0 3,-1.0 148,-0.0 4,-0.8 -0.436 108.9 -44.3-136.1-151.0 -14.8 3.7 -4.9 74 74 A N H 3> S+ 0 0 7 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.699 115.0 69.5 -64.6 -24.7 -15.7 -0.0 -5.0 75 75 A T H 3> S+ 0 0 2 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.879 97.6 54.1 -66.2 -33.4 -17.9 0.1 -8.2 76 76 A G H <> S+ 0 0 0 -3,-1.0 4,-2.3 2,-0.2 -1,-0.2 0.904 109.9 46.6 -61.2 -42.6 -14.7 0.8 -10.2 77 77 A I H X S+ 0 0 0 -4,-0.8 4,-2.6 2,-0.2 -2,-0.2 0.943 114.0 48.3 -62.9 -49.4 -13.1 -2.3 -8.8 78 78 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.924 113.8 45.9 -58.7 -47.8 -16.3 -4.4 -9.4 79 79 A L H X S+ 0 0 0 -4,-3.0 4,-2.7 2,-0.2 5,-0.2 0.900 111.2 52.8 -63.8 -41.0 -16.6 -3.2 -13.0 80 80 A A H X S+ 0 0 2 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.935 112.8 44.5 -60.2 -46.5 -12.9 -3.8 -13.7 81 81 A M H X S+ 0 0 8 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.932 115.1 46.7 -61.4 -49.8 -13.1 -7.4 -12.4 82 82 A V H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.910 111.7 51.0 -64.2 -40.8 -16.4 -8.1 -14.2 83 83 A C H X>S+ 0 0 1 -4,-2.7 5,-2.5 -5,-0.2 4,-1.9 0.890 107.9 53.1 -63.9 -38.2 -15.1 -6.6 -17.5 84 84 A A H <5S+ 0 0 54 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.937 112.4 44.8 -59.3 -46.3 -11.9 -8.7 -17.2 85 85 A A H <5S+ 0 0 43 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.910 117.7 44.7 -64.3 -41.1 -14.1 -11.8 -16.9 86 86 A R H <5S- 0 0 63 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.708 109.3-120.4 -74.8 -21.8 -16.4 -10.7 -19.7 87 87 A G T <5 + 0 0 67 -4,-1.9 2,-0.3 1,-0.3 -3,-0.2 0.768 63.2 146.3 80.8 27.3 -13.5 -9.7 -22.1 88 88 A Y < - 0 0 62 -5,-2.5 2,-0.3 -6,-0.2 -1,-0.3 -0.758 54.5-116.3 -97.4 145.0 -14.8 -6.1 -22.2 89 89 A R E -g 66 0C 119 -24,-0.5 -22,-2.7 -2,-0.3 2,-0.4 -0.640 35.3-161.3 -72.7 135.8 -12.7 -2.9 -22.5 90 90 A C E -g 67 0C 4 20,-0.4 22,-3.0 -2,-0.3 2,-0.4 -0.984 12.9-175.4-131.7 120.5 -13.2 -0.9 -19.3 91 91 A V E -gi 68 112C 6 -24,-3.3 -22,-1.6 -2,-0.4 2,-0.4 -0.970 6.5-172.5-118.5 128.9 -12.5 2.8 -19.0 92 92 A L E -gi 69 113C 0 20,-2.5 22,-2.4 -2,-0.4 2,-0.4 -0.981 10.3-150.9-125.1 131.3 -12.8 4.5 -15.6 93 93 A T E +gi 70 114C 0 -24,-1.4 -22,-2.6 -2,-0.4 22,-0.2 -0.804 29.1 147.4 -99.7 143.4 -12.5 8.3 -14.8 94 94 A M E - i 0 115C 1 20,-2.0 22,-2.1 -2,-0.4 -22,-0.1 -0.972 50.4 -78.2-164.9 157.8 -11.4 9.5 -11.5 95 95 A P E > - i 0 116C 6 0, 0.0 3,-2.2 0, 0.0 23,-0.1 -0.304 38.4-120.3 -62.1 147.0 -9.4 12.5 -9.9 96 96 A E T 3 S+ 0 0 106 20,-2.7 19,-0.1 1,-0.3 22,-0.1 0.537 108.8 76.5 -64.8 -7.5 -5.6 12.4 -10.2 97 97 A T T 3 + 0 0 100 19,-0.2 -1,-0.3 20,-0.1 3,-0.1 0.619 67.2 118.1 -74.7 -15.0 -5.6 12.5 -6.4 98 98 A M S < S- 0 0 28 -3,-2.2 5,-0.0 1,-0.1 -4,-0.0 -0.272 76.3 -97.8 -54.6 139.2 -6.6 8.7 -6.4 99 99 A S > - 0 0 54 1,-0.1 4,-2.1 3,-0.1 5,-0.2 -0.105 17.6-123.9 -61.0 152.8 -3.9 6.6 -4.7 100 100 A L H > S+ 0 0 114 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.866 113.5 58.3 -62.6 -35.6 -1.3 4.7 -6.6 101 101 A E H > S+ 0 0 142 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.922 107.0 45.8 -58.1 -47.2 -2.5 1.6 -4.8 102 102 A R H > S+ 0 0 28 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.906 112.6 50.6 -65.4 -40.0 -6.0 2.0 -6.2 103 103 A R H X S+ 0 0 41 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.920 110.1 49.7 -65.8 -41.1 -4.7 2.7 -9.7 104 104 A M H X S+ 0 0 136 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.904 109.7 52.1 -62.5 -43.0 -2.5 -0.4 -9.6 105 105 A L H X S+ 0 0 45 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.950 112.9 43.6 -56.5 -51.4 -5.5 -2.5 -8.5 106 106 A L H ><>S+ 0 0 4 -4,-2.3 5,-1.9 1,-0.2 3,-0.8 0.934 114.9 49.4 -64.2 -42.8 -7.8 -1.3 -11.3 107 107 A R H ><5S+ 0 0 124 -4,-2.7 3,-1.7 1,-0.2 -1,-0.2 0.798 100.3 65.5 -66.6 -28.0 -4.9 -1.6 -13.9 108 108 A A H 3<5S+ 0 0 85 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.836 102.0 49.3 -62.6 -31.8 -4.3 -5.2 -12.6 109 109 A Y T <<5S- 0 0 75 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.353 125.9-106.0 -85.4 2.9 -7.7 -6.1 -13.9 110 110 A G T < 5 + 0 0 52 -3,-1.7 -20,-0.4 1,-0.3 -3,-0.2 0.547 68.6 150.0 86.2 9.7 -6.8 -4.4 -17.3 111 111 A A < - 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