==== 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 3AOV . 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) . 30152.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 581 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 6.4 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 . 41 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 10.8 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 1 3 0 0 2 0 4 0 2 4 4 4 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 6 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 85 0, 0.0 3,-0.9 0, 0.0 639,-0.0 0.000 360.0 360.0 360.0 131.0 15.3 -17.3 16.2 2 26 A M T 3 + 0 0 74 1,-0.2 3,-0.1 638,-0.1 639,-0.1 0.724 360.0 60.3 -70.9 -23.5 15.3 -15.8 12.6 3 27 A L T 3 S- 0 0 12 1,-0.3 2,-0.5 637,-0.2 -1,-0.2 0.356 99.7-134.2 -87.7 3.8 18.4 -13.7 13.2 4 28 A G S < S+ 0 0 51 -3,-0.9 2,-1.9 1,-0.1 -1,-0.3 -0.665 86.2 20.6 77.5-124.9 20.7 -16.6 14.0 5 29 A D S > S+ 0 0 111 -2,-0.5 3,-1.9 1,-0.2 4,-0.2 -0.594 72.5 176.4 -74.5 83.8 22.8 -16.0 17.1 6 30 A V G >> + 0 0 13 -2,-1.9 3,-2.6 1,-0.3 4,-0.5 0.790 69.1 78.1 -64.7 -24.8 20.4 -13.2 18.4 7 31 A E G >4 S+ 0 0 121 1,-0.3 3,-0.9 2,-0.2 -1,-0.3 0.733 73.3 77.7 -51.6 -21.4 22.7 -13.0 21.5 8 32 A R G <4 S+ 0 0 82 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.714 98.6 44.5 -67.8 -19.3 25.2 -11.0 19.4 9 33 A F G <4 S+ 0 0 3 -3,-2.6 -1,-0.3 -4,-0.2 -2,-0.2 0.629 91.9 105.7 -97.2 -12.6 22.9 -8.0 19.9 10 34 A F << - 0 0 10 -3,-0.9 511,-0.3 -4,-0.5 510,-0.1 -0.299 68.5-117.0 -78.5 147.6 22.2 -8.4 23.7 11 35 A S > - 0 0 2 509,-2.9 4,-2.3 508,-0.1 5,-0.2 -0.258 32.3-103.3 -67.2 166.4 23.6 -6.2 26.4 12 36 A K H > S+ 0 0 129 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.923 124.5 48.2 -57.6 -46.7 25.8 -7.7 29.2 13 37 A K H > S+ 0 0 56 1,-0.2 4,-0.9 2,-0.2 3,-0.5 0.902 109.9 51.3 -61.9 -40.3 22.8 -7.5 31.6 14 38 A A H 4 S+ 0 0 0 505,-0.4 3,-0.5 1,-0.2 -1,-0.2 0.860 104.1 57.7 -67.4 -33.8 20.5 -9.2 29.1 15 39 A L H < S+ 0 0 67 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.817 108.4 46.8 -67.9 -26.6 23.0 -12.0 28.6 16 40 A E H < S+ 0 0 144 -4,-1.1 2,-0.4 -3,-0.5 -1,-0.2 0.545 89.2 105.6 -92.9 -10.3 22.9 -12.8 32.3 17 41 A M < + 0 0 30 -4,-0.9 2,-0.3 -3,-0.5 657,-0.1 -0.574 44.8 164.4 -63.5 125.3 19.1 -12.7 32.6 18 42 A R - 0 0 194 -2,-0.4 2,-0.3 655,-0.1 -2,-0.0 -0.948 28.7-138.4-123.6 160.7 17.4 -16.0 32.9 19 43 A A - 0 0 23 -2,-0.3 2,-0.1 3,-0.0 654,-0.0 -0.950 40.9 -90.3-129.2 170.0 14.1 -17.3 33.8 20 44 A S > - 0 0 30 -2,-0.3 4,-2.2 1,-0.0 5,-0.2 -0.356 10.2-148.0-135.0 125.6 13.9 -20.1 35.7 21 45 A E H > S+ 0 0 175 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.864 106.4 45.6 -57.4 -39.7 13.6 -23.8 35.7 22 46 A V H > S+ 0 0 26 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.932 111.8 49.4 -66.6 -48.9 11.4 -23.9 38.9 23 47 A R H > S+ 0 0 80 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.890 111.1 52.0 -57.1 -38.6 9.0 -21.1 37.9 24 48 A E H X S+ 0 0 67 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.900 109.5 47.8 -65.6 -44.1 8.5 -22.8 34.5 25 49 A L H X S+ 0 0 76 -4,-1.7 4,-1.8 -5,-0.2 -2,-0.2 0.895 112.3 50.0 -60.9 -43.0 7.6 -26.2 36.1 26 50 A L H X S+ 0 0 12 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.711 102.6 60.2 -71.7 -23.8 5.1 -24.5 38.5 27 51 A K H X S+ 0 0 97 -4,-1.4 4,-1.0 -5,-0.2 -1,-0.2 0.933 109.7 44.3 -61.0 -46.0 3.5 -22.6 35.6 28 52 A L H < S+ 0 0 122 -4,-1.5 -2,-0.2 1,-0.2 3,-0.2 0.865 109.7 55.9 -61.4 -43.6 2.8 -26.2 34.3 29 53 A V H >< S+ 0 0 8 -4,-1.8 3,-1.6 1,-0.2 5,-0.3 0.874 100.3 58.0 -62.3 -41.5 1.6 -27.4 37.8 30 54 A E H 3< S+ 0 0 76 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.878 103.2 53.9 -56.6 -40.7 -1.0 -24.7 38.1 31 55 A T T 3< S+ 0 0 129 -4,-1.0 -1,-0.3 -3,-0.2 -2,-0.2 0.351 107.3 63.3 -77.5 6.1 -2.8 -25.9 34.9 32 56 A S S < S- 0 0 60 -3,-1.6 -3,-0.0 -4,-0.1 0, 0.0 -0.373 97.4 -87.8-119.0-164.2 -3.1 -29.5 36.2 33 57 A D S S+ 0 0 163 -2,-0.1 -3,-0.1 2,-0.1 -4,-0.1 0.498 81.8 112.3 -90.9 -10.8 -4.7 -31.6 38.9 34 58 A I S S- 0 0 45 -5,-0.3 2,-0.8 1,-0.1 323,-0.2 -0.202 76.5-114.2 -54.7 149.9 -2.0 -31.3 41.7 35 59 A I E -a 357 0A 8 321,-2.4 323,-2.0 318,-0.1 2,-0.6 -0.846 38.7-156.1 -86.0 112.8 -2.9 -29.3 44.8 36 60 A S E +a 358 0A 14 -2,-0.8 323,-0.2 321,-0.2 3,-0.2 -0.824 31.8 170.0 -99.4 127.1 -0.5 -26.4 44.5 37 61 A L + 0 0 0 321,-2.7 341,-2.0 -2,-0.6 323,-0.3 0.090 64.5 91.6-104.4 14.8 0.5 -24.4 47.6 38 62 A A + 0 0 5 321,-0.2 321,-0.1 339,-0.2 -1,-0.1 0.591 57.9 108.2 -94.6 -9.9 3.1 -22.7 45.4 39 63 A G - 0 0 13 -3,-0.2 341,-0.1 339,-0.2 321,-0.1 -0.139 51.0-159.3 -76.1 165.7 1.2 -19.6 44.3 40 64 A G + 0 0 26 2,-0.1 -1,-0.1 338,-0.1 294,-0.0 0.015 55.3 120.5-123.8 21.0 1.6 -16.0 45.3 41 65 A L - 0 0 49 340,-0.1 2,-0.1 292,-0.1 339,-0.1 -0.638 60.1-128.2 -93.5 140.9 -1.8 -14.9 44.2 42 66 A P - 0 0 0 0, 0.0 433,-0.1 0, 0.0 -2,-0.1 -0.460 40.4 -95.6 -74.9 163.8 -4.6 -13.4 46.2 43 67 A N > - 0 0 11 1,-0.1 3,-2.6 -2,-0.1 4,-0.2 -0.688 19.6-140.4 -89.0 122.1 -8.1 -15.1 45.9 44 68 A P G > S+ 0 0 18 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.749 98.9 75.0 -52.2 -24.7 -10.5 -13.5 43.4 45 69 A K G 3 S+ 0 0 134 1,-0.3 4,-0.1 3,-0.1 -2,-0.0 0.717 92.3 54.2 -60.1 -20.0 -13.2 -14.1 46.0 46 70 A T G < S+ 0 0 6 -3,-2.6 -1,-0.3 2,-0.1 255,-0.1 0.402 79.4 110.0 -89.9 -3.9 -11.8 -11.2 47.9 47 71 A F S < S- 0 0 10 -3,-2.0 2,-2.1 -4,-0.2 3,-0.2 -0.632 74.5-128.7 -74.0 132.6 -12.0 -8.7 45.0 48 72 A P > + 0 0 8 0, 0.0 4,-3.0 0, 0.0 5,-0.2 -0.483 42.4 165.7 -79.9 71.3 -14.7 -6.1 45.8 49 73 A K H > + 0 0 72 -2,-2.1 4,-2.3 2,-0.2 5,-0.1 0.838 68.4 49.8 -66.0 -35.0 -16.4 -6.6 42.4 50 74 A E H > S+ 0 0 163 2,-0.2 4,-2.2 -3,-0.2 -1,-0.2 0.940 114.0 45.8 -69.1 -44.8 -19.8 -4.8 43.2 51 75 A I H > S+ 0 0 25 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.926 112.4 52.8 -65.5 -37.4 -17.9 -1.8 44.5 52 76 A I H X S+ 0 0 0 -4,-3.0 4,-3.0 2,-0.2 -2,-0.2 0.950 108.0 49.9 -59.3 -45.4 -15.7 -1.9 41.5 53 77 A R H X S+ 0 0 106 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.924 111.9 47.6 -56.2 -48.1 -18.7 -2.0 39.1 54 78 A D H X S+ 0 0 91 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.891 111.7 51.0 -65.4 -41.7 -20.3 1.1 40.8 55 79 A I H X S+ 0 0 1 -4,-2.6 4,-2.9 -5,-0.2 -2,-0.2 0.922 108.0 52.6 -63.5 -41.5 -16.9 2.9 40.7 56 80 A L H X S+ 0 0 5 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.938 110.4 47.5 -59.7 -40.5 -16.6 2.2 36.9 57 81 A V H X S+ 0 0 35 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.941 111.4 51.7 -65.4 -44.7 -20.1 3.6 36.3 58 82 A E H X>S+ 0 0 29 -4,-2.4 4,-2.6 1,-0.2 5,-0.5 0.909 108.6 51.4 -59.2 -43.6 -19.2 6.6 38.4 59 83 A I H X5S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 5,-0.4 0.939 109.0 48.4 -60.9 -43.1 -16.0 7.2 36.4 60 84 A M H <5S+ 0 0 22 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.791 116.5 45.8 -69.6 -23.6 -17.7 7.1 33.1 61 85 A E H <5S+ 0 0 140 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.869 133.9 6.1 -82.0 -43.5 -20.3 9.6 34.4 62 86 A K H <5S+ 0 0 115 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.599 133.7 32.9-117.6 -26.4 -18.1 12.2 36.1 63 87 A Y S X S+ 0 0 11 -5,-0.4 4,-1.7 1,-0.2 5,-0.2 0.892 76.1 46.1 -61.3 -44.9 -14.1 10.0 32.1 65 89 A D H > S+ 0 0 71 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.861 115.3 46.2 -68.3 -33.0 -11.6 12.5 30.5 66 90 A K H 4 S+ 0 0 138 -3,-0.4 3,-0.3 1,-0.2 -1,-0.2 0.930 114.2 48.4 -74.8 -39.9 -9.3 12.5 33.5 67 91 A A H < S+ 0 0 0 -4,-2.6 213,-0.3 1,-0.2 -2,-0.2 0.776 117.7 41.6 -67.1 -25.3 -9.4 8.7 33.7 68 92 A L H < S+ 0 0 0 -4,-1.7 587,-2.5 -5,-0.2 588,-0.3 0.606 100.3 80.5-104.1 -14.0 -8.7 8.3 30.0 69 93 A Q S < S- 0 0 15 -4,-1.1 210,-0.2 -3,-0.3 211,-0.1 -0.469 93.3 -80.6 -86.1 161.4 -6.1 10.9 29.4 70 94 A Y - 0 0 44 -2,-0.1 2,-0.2 377,-0.1 -1,-0.1 -0.330 50.9-145.8 -44.9 144.2 -2.3 10.8 30.0 71 95 A G - 0 0 29 583,-0.1 2,-0.1 206,-0.1 5,-0.1 -0.575 22.2 -88.2-105.6 170.0 -1.4 11.5 33.7 72 96 A T > - 0 0 71 -2,-0.2 3,-0.7 3,-0.1 205,-0.3 -0.490 38.9-115.6 -71.8 157.4 1.5 13.3 35.4 73 97 A T T 3 S+ 0 0 12 1,-0.2 204,-0.3 203,-0.1 28,-0.2 0.921 114.3 56.3 -61.0 -38.8 4.5 11.1 36.2 74 98 A K T 3 S- 0 0 39 1,-0.2 27,-2.3 26,-0.1 -1,-0.2 0.730 117.1-102.3 -67.4 -25.9 4.1 11.7 39.9 75 99 A G < - 0 0 2 -3,-0.7 2,-0.3 25,-0.2 -1,-0.2 -0.436 48.6 -41.6 126.0 171.1 0.5 10.3 39.8 76 100 A F > - 0 0 26 -2,-0.2 4,-2.2 1,-0.1 3,-0.3 -0.417 54.5-137.8 -71.0 117.5 -3.2 11.4 39.9 77 101 A T H > S+ 0 0 64 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.902 98.1 52.0 -52.0 -40.9 -3.3 14.2 42.5 78 102 A P H > S+ 0 0 34 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.893 111.5 49.9 -68.4 -31.1 -6.6 13.2 44.3 79 103 A L H > S+ 0 0 0 -3,-0.3 4,-2.6 2,-0.2 5,-0.2 0.915 110.4 48.6 -61.6 -49.6 -5.2 9.6 44.7 80 104 A R H X S+ 0 0 39 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.938 114.7 46.6 -57.3 -44.3 -1.9 10.9 46.1 81 105 A E H X S+ 0 0 128 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.930 113.3 47.2 -64.6 -47.3 -3.8 13.2 48.5 82 106 A T H X S+ 0 0 15 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.879 112.1 50.6 -66.8 -36.0 -6.3 10.5 49.7 83 107 A L H X S+ 0 0 0 -4,-2.6 4,-3.3 2,-0.2 5,-0.3 0.919 110.0 49.5 -69.6 -40.8 -3.5 8.0 50.3 84 108 A M H X S+ 0 0 14 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.924 112.8 47.1 -64.7 -37.8 -1.5 10.5 52.4 85 109 A K H X S+ 0 0 139 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.932 114.9 48.3 -63.2 -43.2 -4.6 11.2 54.4 86 110 A W H X S+ 0 0 23 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.939 113.7 44.1 -60.3 -50.7 -5.2 7.5 54.7 87 111 A L H X S+ 0 0 0 -4,-3.3 6,-1.8 1,-0.2 4,-1.7 0.832 113.4 52.5 -69.7 -30.6 -1.7 6.7 55.8 88 112 A G H X S+ 0 0 21 -4,-2.0 4,-1.5 -5,-0.3 -2,-0.2 0.970 117.4 36.0 -68.5 -51.8 -1.5 9.6 58.2 89 113 A K H < S+ 0 0 178 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.920 124.1 41.4 -62.9 -47.7 -4.8 8.6 60.0 90 114 A R H < S+ 0 0 80 -4,-3.0 -3,-0.2 -5,-0.3 -2,-0.2 0.868 135.6 10.5 -75.7 -35.5 -4.3 4.9 59.9 91 115 A Y H < S- 0 0 36 -4,-1.7 136,-0.3 -5,-0.3 -3,-0.2 0.499 94.0-115.8-123.7 -10.0 -0.6 4.5 60.6 92 116 A G < + 0 0 48 -4,-1.5 -4,-0.2 -5,-0.5 2,-0.2 0.750 50.4 168.6 70.7 28.2 0.6 7.9 61.8 93 117 A I - 0 0 3 -6,-1.8 -1,-0.2 1,-0.1 137,-0.1 -0.562 41.6-102.6 -75.0 137.7 2.9 8.4 58.8 94 118 A S > - 0 0 51 135,-0.4 3,-1.5 -2,-0.2 -1,-0.1 -0.338 12.2-140.8 -68.7 139.6 4.1 12.0 58.7 95 119 A Q T 3 S+ 0 0 109 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.480 93.0 83.8 -77.1 -0.5 2.7 14.5 56.2 96 120 A D T 3 S+ 0 0 127 2,-0.0 -1,-0.3 163,-0.0 2,-0.1 0.651 77.5 89.3 -69.4 -18.3 6.2 15.8 55.7 97 121 A N S < S- 0 0 14 -3,-1.5 2,-0.2 162,-0.1 162,-0.2 -0.448 72.3-136.7 -81.7 158.1 6.7 13.0 53.2 98 122 A D E -B 258 0B 32 160,-3.0 160,-2.3 -2,-0.1 2,-0.3 -0.608 16.6-146.2-102.1 171.5 6.0 13.2 49.6 99 123 A I E -B 257 0B 4 158,-0.2 2,-0.4 -2,-0.2 158,-0.2 -0.997 12.4-171.6-141.6 140.1 4.3 10.4 47.6 100 124 A M E -B 256 0B 0 156,-2.6 156,-2.2 -2,-0.3 2,-0.3 -0.992 25.0-125.7-128.8 148.9 4.5 9.1 44.1 101 125 A I E -B 255 0B 0 -27,-2.3 154,-0.3 -2,-0.4 2,-0.3 -0.644 29.7-162.8 -90.0 141.1 2.2 6.5 42.4 102 126 A T E -B 254 0B 0 152,-2.7 152,-2.5 -2,-0.3 2,-1.9 -0.821 33.9-109.3-122.1 167.6 3.9 3.5 41.0 103 127 A S S > S- 0 0 8 1,-0.3 4,-0.5 -2,-0.3 150,-0.3 -0.592 96.2 -46.7 -89.5 64.5 2.9 0.7 38.5 104 128 A G H >> S- 0 0 0 -2,-1.9 4,-1.4 2,-0.2 3,-1.2 0.300 73.6 -79.7 80.8 154.5 2.8 -1.6 41.4 105 129 A S H 3> S+ 0 0 10 1,-0.3 4,-2.2 148,-0.2 5,-0.2 0.787 126.5 70.5 -53.6 -27.1 5.4 -2.0 44.1 106 130 A Q H 3> S+ 0 0 5 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.924 98.2 49.4 -58.1 -41.7 7.4 -4.0 41.7 107 131 A Q H S+ 0 0 2 -4,-2.5 4,-2.4 -5,-0.2 5,-0.5 0.920 110.1 47.0 -51.1 -50.1 15.0 2.1 44.0 113 137 A G H X5S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.924 114.6 46.2 -58.4 -42.4 17.7 0.1 42.2 114 138 A R H <5S+ 0 0 3 -4,-2.2 305,-0.4 1,-0.2 -2,-0.2 0.895 118.5 42.2 -66.9 -39.9 18.0 2.7 39.3 115 139 A V H <5S+ 0 0 0 -4,-2.7 301,-2.8 -5,-0.1 -1,-0.2 0.803 129.2 20.8 -81.2 -32.1 18.0 5.6 41.8 116 140 A F H <5S+ 0 0 0 -4,-2.4 2,-0.7 299,-0.3 -3,-0.2 0.693 98.9 88.5-108.0 -31.1 20.3 4.3 44.5 117 141 A L << + 0 0 9 -4,-1.9 301,-0.1 -5,-0.5 -1,-0.1 -0.748 37.1 175.6-102.6 116.4 22.5 1.5 43.2 118 142 A N > - 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0 0 0 236,-2.6 2,-0.3 -2,-0.1 49,-0.1 -0.830 49.1 -60.9-146.1 177.1 13.4 -12.2 51.3 130 154 A Y >> - 0 0 37 -2,-0.3 4,-1.6 1,-0.1 3,-0.9 -0.453 43.9-146.0 -61.5 119.2 10.9 -11.4 48.4 131 155 A L H 3> S+ 0 0 23 -2,-0.3 4,-1.8 1,-0.3 -1,-0.1 0.907 95.0 54.0 -63.4 -33.2 12.3 -13.0 45.3 132 156 A A H 3> S+ 0 0 9 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.715 102.8 59.1 -76.8 -17.5 11.1 -10.4 42.9 133 157 A A H <> S+ 0 0 0 -3,-0.9 4,-2.9 2,-0.2 5,-0.3 0.929 106.4 47.3 -71.0 -42.9 12.9 -7.7 44.9 134 158 A L H X S+ 0 0 7 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.912 111.4 52.4 -59.8 -38.5 16.1 -9.5 44.4 135 159 A Q H X S+ 0 0 54 -4,-1.8 4,-0.6 2,-0.2 -2,-0.2 0.901 111.3 46.0 -63.2 -41.9 15.2 -9.8 40.6 136 160 A A H >< S+ 0 0 0 -4,-2.1 3,-0.9 1,-0.2 4,-0.4 0.945 116.8 43.8 -66.0 -48.3 14.6 -6.0 40.4 137 161 A F H >< S+ 0 0 2 -4,-2.9 3,-1.6 1,-0.2 -2,-0.2 0.836 100.0 70.6 -67.8 -30.4 17.8 -5.1 42.3 138 162 A N H >< S+ 0 0 86 -4,-2.3 3,-1.6 1,-0.3 -1,-0.2 0.784 84.7 66.9 -62.4 -23.5 20.0 -7.6 40.4 139 163 A F T << S+ 0 0 18 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.855 101.6 51.3 -64.5 -30.7 19.8 -5.6 37.2 140 164 A Y T < S- 0 0 10 -3,-1.6 -19,-0.3 -4,-0.4 -1,-0.3 0.343 109.7-126.1 -94.4 5.6 21.9 -2.9 39.1 141 165 A E < + 0 0 92 -3,-1.6 -21,-3.3 -4,-0.2 -3,-0.2 0.848 42.6 173.1 56.3 47.8 24.6 -5.4 40.3 142 166 A P - 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0 0 60 -7,-3.2 4,-1.4 1,-0.2 3,-1.2 -0.557 32.9-176.8 -76.8 86.1 17.6 -10.5 63.5 156 180 A V H 3> S+ 0 0 0 -2,-1.9 4,-2.5 1,-0.3 -1,-0.2 0.787 76.7 65.4 -61.0 -31.5 18.7 -6.8 63.8 157 181 A E H 3> S+ 0 0 69 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.906 102.5 47.5 -54.6 -40.7 21.5 -7.8 66.3 158 182 A I H <> S+ 0 0 38 -3,-1.2 4,-2.7 2,-0.2 -2,-0.2 0.885 107.7 56.9 -67.7 -37.0 23.2 -9.7 63.4 159 183 A L H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.961 106.1 49.4 -55.2 -48.6 22.7 -6.7 61.2 160 184 A E H X S+ 0 0 41 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.904 111.3 50.1 -55.2 -43.9 24.7 -4.6 63.8 161 185 A E H X S+ 0 0 120 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.925 112.4 45.3 -62.6 -48.3 27.4 -7.2 63.8 162 186 A K H X S+ 0 0 62 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.843 110.5 54.0 -64.4 -34.0 27.7 -7.2 60.0 163 187 A L H X S+ 0 0 5 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.896 111.0 47.5 -65.6 -40.9 27.6 -3.3 59.9 164 188 A K H X S+ 0 0 115 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.921 111.8 49.8 -64.9 -45.5 30.6 -3.3 62.4 165 189 A E H X S+ 0 0 112 -4,-2.3 4,-0.6 1,-0.2 -2,-0.2 0.902 112.8 46.1 -62.1 -41.1 32.4 -5.9 60.3 166 190 A L H ><>S+ 0 0 11 -4,-2.3 5,-2.8 1,-0.2 3,-1.0 0.908 109.7 54.7 -69.2 -38.6 31.9 -3.9 57.1 167 191 A K H ><5S+ 0 0 144 -4,-2.4 3,-1.7 1,-0.3 -1,-0.2 0.883 103.7 55.6 -58.5 -41.5 32.9 -0.7 58.8 168 192 A S H 3<5S+ 0 0 100 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.717 106.2 51.4 -64.5 -18.2 36.2 -2.4 59.8 169 193 A Q T <<5S- 0 0 117 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.277 122.5-107.8 -99.7 5.4 36.7 -3.1 56.0 170 194 A G T < 5S+ 0 0 73 -3,-1.7 2,-0.2 1,-0.3 -3,-0.2 0.663 82.5 121.4 74.2 20.1 36.1 0.6 55.2 171 195 A K < - 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