==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-OCT-10 3AOW . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN PH0207; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR K.OKADA,C.ANGKAWIDJAJA,Y.KOGA,K.TAKANO,S.KANAYA . 808 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30403.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 578 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 2 0.2 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 . 43 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 297 36.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.6 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 4 0 0 2 0 4 0 4 2 4 4 0 1 1 0 0 0 0 0 0 0 0 2 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 1 5 0 2 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 6 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 4 0 2 0 0 2 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 25 A S > 0 0 75 0, 0.0 3,-0.5 0, 0.0 639,-0.0 0.000 360.0 360.0 360.0 144.3 15.2 17.2 51.9 2 26 A M T 3 + 0 0 76 1,-0.2 3,-0.1 638,-0.1 639,-0.1 0.534 360.0 55.4 -71.8 -2.7 15.4 16.0 55.6 3 27 A L T 3 S- 0 0 11 1,-0.3 2,-0.4 637,-0.1 -1,-0.2 0.382 96.6-153.6-100.5 -1.4 18.6 14.1 54.8 4 28 A G S < S+ 0 0 50 -3,-0.5 2,-2.4 3,-0.0 -1,-0.3 -0.473 75.3 39.1 -89.4 -31.4 19.9 16.9 53.7 5 29 A D > + 0 0 102 -2,-0.4 3,-2.0 1,-0.2 4,-0.2 -0.445 69.5 166.4 -79.0 82.3 22.5 16.1 51.2 6 30 A V G >> + 0 0 13 -2,-2.4 3,-2.8 1,-0.3 4,-0.5 0.782 60.0 79.7 -68.8 -23.7 20.4 13.3 49.8 7 31 A E G >4 S+ 0 0 100 -3,-0.3 3,-1.1 1,-0.3 -1,-0.3 0.759 73.3 75.9 -52.8 -21.5 22.7 13.2 46.8 8 32 A R G <4 S+ 0 0 103 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.734 98.3 47.8 -69.4 -15.7 25.2 11.2 48.8 9 33 A F G <4 S+ 0 0 7 -3,-2.8 -1,-0.3 -4,-0.2 -2,-0.2 0.643 91.2 107.3 -92.3 -15.0 22.9 8.2 48.3 10 34 A F << - 0 0 10 -3,-1.1 511,-0.3 -4,-0.5 510,-0.1 -0.296 67.8-118.5 -76.5 145.6 22.3 8.6 44.6 11 35 A S > - 0 0 2 509,-3.1 4,-2.4 508,-0.1 5,-0.1 -0.195 33.4-103.4 -65.2 163.9 23.6 6.3 41.8 12 36 A K H > S+ 0 0 116 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.920 124.4 47.4 -56.4 -44.7 25.9 7.7 39.1 13 37 A K H > S+ 0 0 44 1,-0.2 4,-0.9 2,-0.2 3,-0.5 0.911 109.3 52.1 -66.3 -40.0 22.9 7.7 36.7 14 38 A A H >4 S+ 0 0 0 505,-0.4 3,-0.7 1,-0.2 -1,-0.2 0.881 103.7 58.9 -63.5 -37.9 20.6 9.4 39.1 15 39 A L H 3< S+ 0 0 64 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.823 106.0 48.5 -61.8 -29.2 23.1 12.1 39.6 16 40 A E H 3< S+ 0 0 111 -4,-1.1 2,-0.3 -3,-0.5 -1,-0.2 0.619 90.0 105.7 -87.7 -9.7 22.9 12.9 35.9 17 41 A M << + 0 0 30 -4,-0.9 2,-0.3 -3,-0.7 657,-0.1 -0.525 44.4 168.9 -67.8 131.7 19.0 12.9 35.9 18 42 A R - 0 0 187 -2,-0.3 2,-0.3 655,-0.1 -2,-0.0 -0.974 35.0-116.7-141.5 146.8 17.4 16.4 35.6 19 43 A A - 0 0 32 -2,-0.3 2,-0.4 1,-0.1 3,-0.1 -0.643 45.2-100.1 -75.0 143.5 13.8 17.7 35.0 20 44 A S > - 0 0 37 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 -0.564 20.1-153.3 -70.1 122.9 13.4 19.7 31.8 21 45 A E H > S+ 0 0 171 -2,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.923 100.7 47.8 -53.0 -51.3 13.4 23.5 32.4 22 46 A V H > S+ 0 0 26 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.918 109.8 50.5 -58.2 -48.0 11.3 23.9 29.2 23 47 A R H > S+ 0 0 128 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.916 109.3 52.2 -62.7 -37.5 8.9 21.1 30.2 24 48 A E H X S+ 0 0 72 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.927 111.1 47.1 -61.3 -44.5 8.4 22.8 33.7 25 49 A L H X S+ 0 0 76 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.905 111.9 50.9 -62.1 -42.0 7.6 26.2 31.9 26 50 A L H X S+ 0 0 15 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.802 102.0 59.0 -70.7 -32.6 5.2 24.4 29.6 27 51 A K H X S+ 0 0 84 -4,-2.1 4,-1.1 -5,-0.2 -1,-0.2 0.962 110.1 46.3 -54.4 -50.6 3.4 22.7 32.4 28 52 A L H >< S+ 0 0 120 -4,-1.7 3,-0.9 1,-0.2 4,-0.3 0.929 108.5 53.9 -54.0 -52.3 2.7 26.3 33.7 29 53 A V H >< S+ 0 0 7 -4,-2.3 3,-1.9 1,-0.3 5,-0.3 0.886 101.6 60.1 -55.5 -41.5 1.6 27.6 30.2 30 54 A E H 3< S+ 0 0 103 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.842 102.0 52.8 -55.7 -38.5 -1.0 24.8 29.9 31 55 A T T << S+ 0 0 129 -4,-1.1 -1,-0.3 -3,-0.9 -2,-0.2 0.396 105.4 69.0 -80.8 3.2 -2.8 26.0 33.1 32 56 A S S < S- 0 0 50 -3,-1.9 -3,-0.0 -4,-0.3 0, 0.0 -0.431 95.5-100.0-109.7-171.3 -3.1 29.6 31.8 33 57 A D S S+ 0 0 165 -2,-0.1 -3,-0.1 2,-0.1 -4,-0.1 0.532 78.8 118.6 -92.3 -8.5 -5.0 31.4 29.0 34 58 A I S S- 0 0 45 -5,-0.3 2,-0.8 1,-0.1 323,-0.2 -0.216 77.2-109.7 -45.3 145.9 -2.0 31.5 26.5 35 59 A I E -a 357 0A 10 321,-2.4 323,-1.9 318,-0.1 2,-0.6 -0.776 39.7-154.2 -83.2 108.4 -2.8 29.5 23.3 36 60 A S E +a 358 0A 15 -2,-0.8 3,-0.2 321,-0.2 323,-0.2 -0.800 32.8 167.8 -94.3 126.1 -0.6 26.5 23.6 37 61 A L + 0 0 0 321,-2.8 341,-1.6 -2,-0.6 323,-0.4 0.147 65.3 89.6-103.9 12.5 0.6 24.6 20.5 38 62 A A + 0 0 7 321,-0.3 321,-0.1 339,-0.2 -1,-0.1 0.526 58.0 114.4 -88.7 -3.5 3.1 22.8 22.7 39 63 A G - 0 0 14 -3,-0.2 341,-0.1 339,-0.2 321,-0.1 -0.151 45.1-165.9 -73.6 158.7 1.0 19.8 23.8 40 64 A G + 0 0 27 2,-0.1 -1,-0.1 338,-0.1 294,-0.0 0.014 53.9 114.7-121.7 25.6 1.6 16.2 22.9 41 65 A L - 0 0 60 340,-0.1 2,-0.1 292,-0.1 339,-0.1 -0.680 64.4-124.0-101.0 147.3 -1.7 14.9 24.0 42 66 A P - 0 0 0 0, 0.0 433,-0.1 0, 0.0 -2,-0.1 -0.472 40.8-100.3 -76.6 162.9 -4.6 13.3 22.0 43 67 A N > - 0 0 8 1,-0.1 3,-2.4 -2,-0.1 4,-0.2 -0.688 18.0-138.1 -90.8 125.6 -7.9 15.1 22.4 44 68 A P G > S+ 0 0 4 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.747 98.6 75.8 -59.5 -16.6 -10.4 13.4 24.8 45 69 A K G 3 S+ 0 0 156 1,-0.3 4,-0.1 3,-0.1 259,-0.0 0.720 93.4 54.8 -62.4 -16.4 -13.2 14.1 22.3 46 70 A T G < S+ 0 0 5 -3,-2.4 -1,-0.3 2,-0.1 255,-0.1 0.522 80.2 107.8 -91.8 -7.1 -11.7 11.3 20.3 47 71 A F S < S- 0 0 9 -3,-2.0 2,-2.1 -4,-0.2 3,-0.2 -0.587 76.1-128.0 -74.2 133.1 -11.8 8.7 23.2 48 72 A P > + 0 0 7 0, 0.0 4,-2.9 0, 0.0 5,-0.2 -0.513 42.5 167.0 -82.0 71.0 -14.6 6.2 22.4 49 73 A K H > + 0 0 69 -2,-2.1 4,-2.8 1,-0.2 5,-0.2 0.873 68.5 50.0 -64.4 -38.4 -16.3 6.7 25.8 50 74 A E H > S+ 0 0 127 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.934 113.2 46.2 -68.7 -39.3 -19.6 5.0 25.1 51 75 A I H > S+ 0 0 25 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.937 113.1 51.6 -66.7 -38.6 -17.8 1.8 23.7 52 76 A I H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.933 108.4 50.5 -60.6 -45.2 -15.5 1.9 26.8 53 77 A R H X S+ 0 0 73 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.935 111.6 47.8 -58.1 -43.2 -18.5 2.1 29.1 54 78 A D H X S+ 0 0 86 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.915 111.9 50.9 -67.7 -38.5 -20.1 -0.9 27.4 55 79 A I H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.891 105.6 54.8 -66.6 -40.6 -16.8 -2.8 27.6 56 80 A L H X S+ 0 0 4 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.920 109.8 47.8 -57.3 -40.1 -16.4 -2.0 31.4 57 81 A V H X S+ 0 0 32 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.944 110.3 52.4 -64.4 -45.3 -19.9 -3.6 32.0 58 82 A E H X>S+ 0 0 31 -4,-2.2 4,-2.5 1,-0.2 5,-0.5 0.901 107.8 50.9 -59.8 -42.2 -19.0 -6.5 29.9 59 83 A I H X5S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 5,-0.4 0.927 108.8 49.8 -61.7 -45.1 -15.8 -7.2 31.9 60 84 A M H <5S+ 0 0 24 -4,-2.1 4,-0.2 1,-0.2 -1,-0.2 0.862 116.7 44.0 -65.3 -26.1 -17.5 -7.0 35.3 61 85 A E H <5S+ 0 0 142 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.885 134.4 8.4 -79.9 -40.6 -20.2 -9.5 34.0 62 86 A K H <5S+ 0 0 125 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.592 132.8 30.8-118.7 -28.8 -18.0 -12.0 32.2 63 87 A Y S X S+ 0 0 10 -5,-0.4 4,-2.0 -4,-0.2 5,-0.2 0.904 75.2 48.1 -62.8 -47.3 -13.9 -10.0 36.2 65 89 A D H > S+ 0 0 69 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.869 115.4 44.8 -61.2 -36.4 -11.5 -12.5 37.7 66 90 A K H 4 S+ 0 0 137 1,-0.2 3,-0.5 2,-0.2 -2,-0.2 0.941 115.2 47.4 -73.5 -41.0 -9.2 -12.4 34.8 67 91 A A H < S+ 0 0 0 -4,-2.9 213,-0.2 1,-0.2 -2,-0.2 0.755 116.6 44.9 -68.6 -26.3 -9.2 -8.6 34.6 68 92 A L H < S+ 0 0 0 -4,-2.0 587,-2.6 -5,-0.2 588,-0.3 0.573 100.0 77.2 -92.7 -19.6 -8.6 -8.3 38.3 69 93 A Q S < S- 0 0 20 -4,-1.0 210,-0.3 -3,-0.5 211,-0.1 -0.448 92.3 -80.9 -90.3 168.8 -5.9 -10.7 38.9 70 94 A Y - 0 0 43 377,-0.1 2,-0.2 -2,-0.1 -1,-0.2 -0.375 50.4-148.0 -52.4 148.3 -2.1 -10.6 38.3 71 95 A G - 0 0 29 583,-0.1 2,-0.1 206,-0.1 5,-0.1 -0.606 21.7 -86.0-111.4 170.8 -1.2 -11.4 34.7 72 96 A T > - 0 0 81 -2,-0.2 3,-0.6 3,-0.1 205,-0.4 -0.400 37.8-116.9 -71.7 152.9 1.7 -13.1 33.0 73 97 A T T 3 S+ 0 0 20 1,-0.2 204,-0.3 203,-0.2 28,-0.2 0.940 113.7 56.4 -54.2 -39.4 4.6 -11.0 32.1 74 98 A K T 3 S- 0 0 40 1,-0.2 27,-2.2 26,-0.1 -1,-0.2 0.708 116.3-103.9 -69.2 -24.8 4.2 -11.6 28.4 75 99 A G < - 0 0 1 -3,-0.6 2,-0.3 25,-0.2 -1,-0.2 -0.423 46.8 -43.0 122.4 168.6 0.5 -10.3 28.4 76 100 A F >> - 0 0 26 -2,-0.2 4,-2.2 1,-0.1 3,-0.5 -0.480 53.8-137.1 -71.1 117.1 -3.1 -11.4 28.3 77 101 A T H 3> S+ 0 0 66 -2,-0.3 4,-3.2 1,-0.2 5,-0.2 0.909 98.4 52.1 -51.5 -45.1 -3.3 -14.1 25.7 78 102 A P H 3> S+ 0 0 35 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.865 110.8 48.9 -60.1 -35.2 -6.5 -13.0 24.0 79 103 A L H <> S+ 0 0 0 -3,-0.5 4,-2.6 2,-0.2 5,-0.2 0.930 111.6 49.7 -66.5 -42.2 -5.1 -9.5 23.6 80 104 A R H X S+ 0 0 40 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.945 114.5 45.5 -62.4 -42.5 -1.8 -10.9 22.1 81 105 A E H X S+ 0 0 126 -4,-3.2 4,-2.1 2,-0.2 -1,-0.2 0.923 113.4 47.3 -67.8 -44.7 -3.8 -13.2 19.7 82 106 A T H X S+ 0 0 13 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.895 111.9 51.4 -66.6 -33.2 -6.2 -10.5 18.6 83 107 A L H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.929 109.2 48.7 -68.9 -45.2 -3.4 -8.0 18.0 84 108 A M H X S+ 0 0 14 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.896 112.1 50.2 -65.4 -35.6 -1.4 -10.4 15.9 85 109 A K H X S+ 0 0 137 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.940 114.1 45.9 -60.4 -44.7 -4.6 -11.1 13.8 86 110 A W H X S+ 0 0 25 -4,-2.5 4,-3.3 1,-0.2 5,-0.4 0.927 113.6 47.7 -59.5 -55.7 -5.2 -7.4 13.5 87 111 A L H X>S+ 0 0 0 -4,-3.0 6,-1.7 2,-0.2 4,-1.7 0.830 113.7 48.3 -58.4 -37.1 -1.6 -6.6 12.5 88 112 A G H X5S+ 0 0 20 -4,-2.3 4,-1.8 -5,-0.3 -2,-0.2 0.961 117.9 38.5 -71.7 -48.4 -1.5 -9.5 10.0 89 113 A K H <5S+ 0 0 175 -4,-2.5 -2,-0.2 2,-0.2 -3,-0.2 0.923 124.0 39.2 -61.3 -47.6 -4.8 -8.6 8.3 90 114 A R H <5S+ 0 0 80 -4,-3.3 -3,-0.2 -5,-0.3 -2,-0.2 0.873 136.1 11.6 -77.9 -36.1 -4.3 -4.9 8.4 91 115 A Y H <5S- 0 0 39 -4,-1.7 136,-0.3 -5,-0.4 -3,-0.2 0.529 93.2-115.2-121.6 -10.7 -0.6 -4.5 7.6 92 116 A G << + 0 0 49 -4,-1.8 2,-0.3 -5,-0.5 -4,-0.2 0.689 51.3 167.6 71.9 26.0 0.7 -7.9 6.4 93 117 A I - 0 0 3 -6,-1.7 -1,-0.3 1,-0.1 137,-0.1 -0.543 41.5-105.6 -68.8 135.8 2.9 -8.4 9.4 94 118 A S > - 0 0 50 135,-0.4 3,-1.4 -2,-0.3 -1,-0.1 -0.304 13.3-139.6 -69.6 139.5 4.1 -11.9 9.5 95 119 A Q T 3 S+ 0 0 108 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.1 0.473 92.4 79.3 -78.7 -2.0 2.7 -14.4 12.0 96 120 A D T 3 S+ 0 0 92 2,-0.1 -1,-0.3 163,-0.0 2,-0.2 0.551 78.2 92.0 -82.1 -3.5 6.1 -15.9 12.8 97 121 A N S < S- 0 0 14 -3,-1.4 162,-0.2 162,-0.1 2,-0.2 -0.495 73.9-133.6 -75.0 162.1 6.9 -13.0 15.0 98 122 A D E -B 258 0B 33 160,-3.2 160,-2.1 -2,-0.2 2,-0.4 -0.624 15.5-143.8-107.0 172.7 6.1 -13.1 18.7 99 123 A I E -B 257 0B 3 158,-0.2 2,-0.4 -2,-0.2 158,-0.2 -0.999 12.1-171.1-142.5 138.6 4.3 -10.3 20.7 100 124 A M E -B 256 0B 0 156,-2.4 156,-2.3 -2,-0.4 2,-0.2 -0.985 25.0-126.5-126.4 140.8 4.6 -9.0 24.2 101 125 A I E -B 255 0B 1 -27,-2.2 2,-0.3 -2,-0.4 154,-0.3 -0.588 30.2-162.6 -81.6 141.8 2.2 -6.5 25.8 102 126 A T E -B 254 0B 0 152,-2.5 152,-2.7 -2,-0.2 2,-1.9 -0.903 33.1-113.3-122.6 166.1 3.9 -3.4 27.2 103 127 A S S S- 0 0 7 -2,-0.3 4,-0.5 1,-0.3 150,-0.3 -0.485 94.4 -46.2 -89.4 60.9 2.9 -0.7 29.7 104 128 A G S >> S- 0 0 0 -2,-1.9 4,-1.6 2,-0.2 3,-0.8 0.136 72.3 -81.8 87.6 154.7 3.0 1.7 26.8 105 129 A S H 3> S+ 0 0 10 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.792 126.2 70.8 -62.7 -19.2 5.6 2.1 24.2 106 130 A Q H 3> S+ 0 0 4 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.935 100.1 46.8 -59.1 -40.0 7.6 4.2 26.7 107 131 A Q H <> S+ 0 0 6 -3,-0.8 4,-3.0 -4,-0.5 -2,-0.2 0.909 108.2 56.3 -70.1 -35.2 8.2 0.9 28.5 108 132 A A H X S+ 0 0 0 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.922 107.9 48.4 -56.0 -42.8 9.1 -0.8 25.2 109 133 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.901 110.7 49.7 -69.9 -38.1 11.8 1.8 24.7 110 134 A D H X S+ 0 0 2 -4,-1.9 4,-2.4 568,-0.3 -1,-0.2 0.921 113.1 47.7 -64.1 -44.2 13.2 1.4 28.2 111 135 A L H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.845 107.1 55.1 -67.6 -37.7 13.3 -2.3 27.7 112 136 A I H X>S+ 0 0 2 -4,-2.4 4,-2.4 -5,-0.2 5,-0.5 0.917 109.9 49.2 -55.2 -41.8 15.0 -2.0 24.3 113 137 A G H X5S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.954 112.7 46.0 -63.9 -47.5 17.6 -0.0 26.1 114 138 A R H <5S+ 0 0 1 -4,-2.4 305,-0.4 1,-0.2 -1,-0.2 0.876 118.3 41.6 -60.4 -42.6 18.0 -2.6 28.9 115 139 A V H <5S+ 0 0 0 -4,-2.6 301,-2.7 -5,-0.1 -1,-0.2 0.784 128.8 22.5 -81.6 -31.7 18.2 -5.6 26.6 116 140 A F H <5S+ 0 0 0 -4,-2.4 2,-0.7 299,-0.3 -3,-0.2 0.703 99.6 86.8-106.6 -29.1 20.4 -4.2 23.8 117 141 A L << + 0 0 10 -4,-2.2 -1,-0.1 -5,-0.5 299,-0.1 -0.730 38.5 175.8 -99.8 118.8 22.5 -1.4 25.1 118 142 A N > - 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