==== 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 HYDROLASE 28-NOV-08 2W4M . COMPND 2 MOLECULE: N-ACYLNEURAMINATE-9-PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.UGOCHUKWU,R.COCKING,W.W.YUE,A.C.W.PIKE,A.ROOS,J.R.C.MUNIZ, . 250 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12993.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.4 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 . 9 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 42.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 3.2 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 1 0 2 0 1 1 0 1 1 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 -5 A N > 0 0 131 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -55.5 -57.5 -8.7 -0.8 2 -4 A L H > + 0 0 143 2,-0.2 4,-2.4 1,-0.1 5,-0.2 0.984 360.0 42.6 -62.7 -54.3 -58.7 -11.8 -2.6 3 -3 A Y H > S+ 0 0 133 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.903 112.7 52.6 -53.7 -49.8 -61.3 -12.0 0.2 4 -2 A F H >>S+ 0 0 40 2,-0.2 4,-0.9 1,-0.2 5,-0.6 0.883 109.1 48.8 -60.5 -41.6 -62.1 -8.2 0.2 5 -1 A Q H ><5S+ 0 0 125 -4,-2.0 3,-1.9 1,-0.2 -1,-0.2 0.979 107.9 55.1 -60.2 -53.9 -62.7 -8.2 -3.6 6 0 A S H 3<5S+ 0 0 88 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.808 111.0 46.6 -41.5 -38.2 -65.0 -11.2 -3.1 7 1 A M H 3<5S- 0 0 102 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.614 116.5-112.7 -86.2 -14.6 -66.9 -9.1 -0.6 8 2 A G T <<5 + 0 0 65 -3,-1.9 2,-0.3 -4,-0.9 -3,-0.2 0.975 68.9 142.6 76.5 73.7 -67.1 -6.0 -2.8 9 3 A L < - 0 0 65 -5,-0.6 2,-0.3 -8,-0.1 -1,-0.3 -0.961 39.9-138.8-163.3 112.2 -64.9 -4.0 -0.5 10 4 A S - 0 0 28 -2,-0.3 3,-0.1 178,-0.1 2,-0.1 -0.634 8.6-131.7 -99.0 138.0 -62.2 -1.5 -1.5 11 5 A R - 0 0 46 -2,-0.3 2,-0.2 1,-0.1 -1,-0.1 -0.321 56.1 -81.1 -55.9 158.7 -58.7 -0.7 -0.3 12 6 A V - 0 0 7 231,-0.2 178,-0.2 1,-0.1 -1,-0.1 -0.557 48.7-179.3 -68.6 135.2 -58.3 3.0 0.4 13 7 A R + 0 0 147 176,-2.7 119,-2.5 1,-0.3 2,-0.3 0.665 62.4 19.7-108.7 -26.9 -57.7 4.9 -2.9 14 8 A A E -ab 132 190A 0 175,-1.5 177,-2.0 117,-0.2 2,-0.4 -0.998 55.4-158.8-147.3 146.1 -57.3 8.5 -1.8 15 9 A V E -ab 133 191A 0 117,-2.2 119,-2.0 -2,-0.3 2,-0.5 -0.995 13.1-153.0-122.7 128.1 -56.6 10.4 1.3 16 10 A F E -ab 134 192A 0 175,-3.0 177,-3.0 -2,-0.4 2,-0.4 -0.904 13.0-157.1-100.8 130.1 -57.5 14.0 1.7 17 11 A F E -ab 135 193A 0 117,-2.8 119,-3.2 -2,-0.5 177,-0.2 -0.882 11.9-134.2-108.5 140.5 -55.5 16.2 4.0 18 12 A D - 0 0 10 175,-1.8 119,-0.2 -2,-0.4 4,-0.1 -0.410 15.9-156.2 -66.5 157.7 -56.4 19.4 5.8 19 13 A L >>> + 0 0 0 117,-0.3 4,-2.2 3,-0.1 3,-2.0 0.836 64.5 74.8-104.4 -66.2 -53.7 22.2 5.6 20 14 A D B 345S-f 24 0B 28 1,-0.3 175,-0.3 2,-0.2 5,-0.1 -0.319 122.2 -12.9 -65.0 120.7 -53.9 24.7 8.5 21 15 A N T 345S+ 0 0 67 3,-2.1 -1,-0.3 -2,-0.2 4,-0.2 0.777 128.9 74.6 55.6 28.1 -52.6 23.1 11.7 22 16 A T T <45S+ 0 0 17 -3,-2.0 214,-0.3 2,-0.4 -2,-0.2 0.483 119.1 3.9-120.6 -49.6 -52.6 19.7 10.2 23 17 A L T <5S+ 0 0 10 -4,-2.2 94,-0.4 1,-0.2 2,-0.3 0.587 136.9 34.7-109.4 -19.4 -49.5 19.9 7.9 24 18 A I B + 0 0 99 90,-0.3 4,-3.0 -2,-0.3 5,-0.3 -0.528 43.4 161.7 -89.4 72.8 -48.3 25.3 12.1 26 20 A T H > S+ 0 0 12 -2,-1.7 4,-2.9 1,-0.2 5,-0.2 0.934 74.4 49.8 -59.7 -46.2 -50.6 28.2 11.1 27 21 A A H > S+ 0 0 63 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.929 114.6 44.5 -56.4 -46.7 -51.3 29.2 14.8 28 22 A G H > S+ 0 0 20 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.932 115.4 46.6 -67.4 -46.6 -47.6 29.2 15.7 29 23 A A H X S+ 0 0 2 -4,-3.0 4,-2.1 2,-0.2 -1,-0.2 0.891 112.9 50.0 -59.7 -43.6 -46.6 31.1 12.6 30 24 A S H X S+ 0 0 10 -4,-2.9 4,-1.9 -5,-0.3 -2,-0.2 0.889 108.9 51.6 -68.5 -38.5 -49.4 33.6 13.0 31 25 A R H X S+ 0 0 166 -4,-2.3 4,-2.7 -5,-0.2 -1,-0.2 0.915 106.5 54.3 -59.4 -47.5 -48.4 34.2 16.6 32 26 A R H X S+ 0 0 95 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.932 105.8 55.3 -50.9 -43.6 -44.8 34.7 15.5 33 27 A G H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.935 108.6 45.6 -55.4 -46.0 -46.3 37.4 13.2 34 28 A M H X S+ 0 0 15 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.920 107.5 58.0 -69.0 -38.5 -48.0 39.2 16.0 35 29 A L H X S+ 0 0 77 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.909 107.1 48.5 -56.6 -40.7 -44.8 39.0 18.1 36 30 A E H X S+ 0 0 69 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.855 108.3 52.8 -70.0 -37.3 -42.9 40.8 15.4 37 31 A V H X S+ 0 0 0 -4,-1.8 4,-3.3 2,-0.2 -1,-0.2 0.900 111.1 47.8 -63.7 -37.8 -45.6 43.5 15.1 38 32 A I H X S+ 0 0 29 -4,-2.5 4,-2.4 2,-0.2 5,-0.3 0.964 111.3 50.1 -67.1 -48.4 -45.3 44.1 18.8 39 33 A K H X S+ 0 0 135 -4,-2.7 4,-2.3 1,-0.2 5,-0.5 0.912 114.6 45.8 -53.2 -44.5 -41.6 44.2 18.6 40 34 A L H X>S+ 0 0 27 -4,-2.7 4,-2.0 1,-0.2 5,-0.9 0.950 112.4 48.5 -62.2 -53.3 -41.9 46.7 15.8 41 35 A L H <5S+ 0 0 0 -4,-3.3 6,-2.1 3,-0.2 4,-0.3 0.830 118.5 40.3 -63.3 -30.4 -44.5 48.9 17.5 42 36 A Q H X5S+ 0 0 67 -4,-2.4 4,-1.3 4,-0.3 -2,-0.2 0.961 121.3 36.1 -85.1 -54.8 -42.5 49.1 20.7 43 37 A S H <5S+ 0 0 89 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.2 0.945 128.9 33.0 -68.9 -46.3 -39.0 49.4 19.6 44 38 A K T <5S+ 0 0 108 -4,-2.0 -3,-0.2 -5,-0.5 -2,-0.1 0.964 134.6 22.9 -75.8 -51.6 -39.6 51.6 16.6 45 39 A Y T 4 - 0 0 156 -2,-0.3 3,-1.8 3,-0.0 4,-0.2 0.288 59.8 -34.0 -91.6-134.0 -45.9 50.2 25.5 49 43 A E T >> S+ 0 0 100 1,-0.3 3,-2.1 2,-0.2 4,-0.9 0.744 121.8 80.0 -65.8 -25.1 -48.4 47.4 26.5 50 44 A E H 3> S+ 0 0 36 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.673 75.7 75.7 -59.9 -16.0 -51.1 48.8 24.1 51 45 A A H <> S+ 0 0 0 -3,-1.8 4,-1.5 1,-0.2 -1,-0.3 0.892 95.4 49.4 -59.1 -37.1 -49.2 47.1 21.3 52 46 A E H <> S+ 0 0 93 -3,-2.1 4,-2.3 -4,-0.2 -2,-0.2 0.885 105.1 57.7 -68.9 -38.1 -50.7 43.8 22.6 53 47 A I H X S+ 0 0 69 -4,-0.9 4,-2.6 1,-0.2 -2,-0.2 0.938 104.4 51.8 -56.8 -48.3 -54.1 45.4 22.7 54 48 A I H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.927 110.0 48.7 -53.7 -45.3 -53.9 46.2 18.9 55 49 A C H X S+ 0 0 7 -4,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.875 110.1 50.9 -67.3 -36.6 -52.9 42.6 18.1 56 50 A D H X S+ 0 0 105 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.944 108.5 52.2 -60.4 -50.6 -55.8 41.2 20.2 57 51 A K H X S+ 0 0 69 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.877 109.5 49.9 -55.3 -39.9 -58.2 43.5 18.4 58 52 A V H X S+ 0 0 1 -4,-2.1 4,-3.3 1,-0.2 5,-0.3 0.950 108.0 51.8 -68.4 -46.9 -56.9 42.2 15.1 59 53 A Q H X S+ 0 0 89 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.894 111.1 49.7 -48.8 -44.4 -57.3 38.5 16.1 60 54 A V H X S+ 0 0 83 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.974 111.9 46.5 -63.7 -49.3 -60.8 39.3 17.1 61 55 A K H < S+ 0 0 30 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.873 112.0 52.2 -59.2 -40.3 -61.5 41.1 13.7 62 56 A L H >< S+ 0 0 31 -4,-3.3 3,-1.5 1,-0.2 -1,-0.2 0.906 106.8 53.0 -62.4 -38.1 -59.9 38.2 11.9 63 57 A S H 3< S+ 0 0 96 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.812 116.8 36.2 -77.9 -24.3 -62.0 35.6 13.6 64 58 A K T 3< S+ 0 0 154 -4,-1.6 -1,-0.3 -3,-0.1 -2,-0.2 0.144 90.6 153.7-102.3 20.3 -65.3 37.4 12.7 65 59 A E < - 0 0 50 -3,-1.5 2,-0.5 -5,-0.1 -3,-0.1 -0.128 29.7-162.3 -58.7 140.8 -63.9 38.4 9.3 66 60 A C - 0 0 83 -5,-0.1 2,-0.7 2,-0.0 -1,-0.1 -0.833 7.4-164.6-130.1 94.6 -66.4 38.9 6.6 67 61 A F - 0 0 62 -2,-0.5 3,-0.1 1,-0.0 7,-0.1 -0.719 11.2-178.8 -92.5 112.3 -64.9 38.8 3.1 68 62 A H >> - 0 0 93 -2,-0.7 4,-1.8 1,-0.1 3,-1.7 -0.889 7.0-170.1-104.6 98.8 -66.8 40.2 0.1 69 63 A P T 34 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.810 85.2 63.1 -54.7 -31.6 -64.7 39.7 -3.0 70 64 A Y T 34 S+ 0 0 191 1,-0.2 3,-0.1 -3,-0.1 -3,-0.0 0.787 114.2 33.5 -61.3 -27.3 -67.2 41.8 -5.0 71 65 A N T <4 S- 0 0 112 -3,-1.7 2,-0.3 1,-0.3 -1,-0.2 0.735 128.2 -8.3-104.5 -28.2 -66.3 44.7 -2.8 72 66 A T < - 0 0 38 -4,-1.8 2,-0.3 4,-0.0 -1,-0.3 -0.938 64.2-108.6-159.3 168.9 -62.7 44.5 -1.8 73 67 A C > - 0 0 53 -2,-0.3 4,-1.8 -3,-0.1 3,-0.3 -0.738 38.6-105.8-108.1 170.5 -59.7 42.2 -2.0 74 68 A I H > S+ 0 0 1 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.826 115.5 58.5 -69.1 -34.8 -58.3 40.4 1.0 75 69 A T H > S+ 0 0 29 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.905 108.7 46.5 -62.3 -39.9 -55.2 42.6 1.4 76 70 A D H > S+ 0 0 76 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.898 111.0 50.4 -68.2 -42.0 -57.4 45.7 1.8 77 71 A L H X S+ 0 0 33 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.936 114.8 44.4 -62.4 -44.0 -59.8 44.1 4.3 78 72 A R H X S+ 0 0 27 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.836 108.6 54.7 -74.7 -31.1 -57.0 42.9 6.4 79 73 A T H X S+ 0 0 2 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.896 107.6 53.7 -67.0 -34.9 -55.1 46.1 6.3 80 74 A S H X S+ 0 0 31 -4,-1.9 4,-3.2 2,-0.2 5,-0.3 0.883 99.7 59.8 -67.2 -38.2 -58.3 47.7 7.5 81 75 A H H X S+ 0 0 13 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.967 111.2 41.9 -48.9 -54.4 -58.4 45.4 10.5 82 76 A W H X S+ 0 0 3 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.882 112.6 54.0 -59.5 -40.3 -55.0 46.8 11.5 83 77 A E H X S+ 0 0 32 -4,-2.1 4,-2.1 2,-0.2 12,-0.3 0.933 112.5 43.1 -66.4 -42.9 -56.0 50.3 10.7 84 78 A E H X S+ 0 0 87 -4,-3.2 4,-3.7 2,-0.2 5,-0.3 0.962 111.5 53.7 -65.0 -50.7 -59.1 50.1 12.9 85 79 A A H X S+ 0 0 0 -4,-2.7 4,-2.0 -5,-0.3 -2,-0.2 0.874 109.9 49.6 -52.2 -39.5 -57.2 48.4 15.7 86 80 A I H X>S+ 0 0 10 -4,-2.4 4,-3.5 2,-0.2 5,-0.5 0.966 115.4 40.7 -67.3 -50.5 -54.6 51.1 15.7 87 81 A Q H X5S+ 0 0 84 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.951 112.3 55.5 -63.2 -47.9 -57.1 53.9 15.8 88 82 A E H <5S+ 0 0 100 -4,-3.7 -1,-0.2 -5,-0.2 -2,-0.2 0.907 120.9 32.2 -46.2 -43.6 -59.4 52.1 18.3 89 83 A T H <5S+ 0 0 35 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.921 133.4 22.5 -87.7 -47.6 -56.3 51.8 20.6 90 84 A K H <5S- 0 0 93 -4,-3.5 -3,-0.2 -5,-0.2 -2,-0.2 0.450 93.3-149.5-104.6 -2.7 -54.1 54.9 20.1 91 85 A G << + 0 0 39 -4,-2.3 -1,-0.2 -5,-0.5 2,-0.2 -0.013 47.8 95.0 63.7-172.5 -56.8 57.2 18.7 92 86 A G S S- 0 0 66 -4,-0.1 2,-0.2 -5,-0.0 -1,-0.1 -0.499 81.8 -14.3 91.6-160.8 -56.0 60.0 16.3 93 87 A A S S- 0 0 87 -2,-0.2 0, 0.0 1,-0.1 0, 0.0 -0.509 79.6 -92.1 -80.4 144.9 -56.3 60.0 12.5 94 88 A A - 0 0 56 -2,-0.2 2,-0.4 1,-0.1 -1,-0.1 -0.312 41.8-157.6 -48.5 134.5 -56.6 56.7 10.6 95 89 A N > + 0 0 73 -12,-0.3 4,-2.2 1,-0.1 3,-0.2 -0.721 19.8 172.1-126.7 83.4 -53.0 55.8 9.7 96 90 A R H > S+ 0 0 75 -2,-0.4 4,-2.8 1,-0.2 5,-0.2 0.836 75.9 57.0 -60.8 -38.0 -53.0 53.4 6.7 97 91 A K H > S+ 0 0 94 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.934 109.9 45.1 -65.9 -40.4 -49.3 53.4 6.2 98 92 A L H > S+ 0 0 7 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.924 110.8 55.3 -67.6 -37.9 -48.7 52.1 9.7 99 93 A A H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.937 110.6 45.6 -55.0 -47.9 -51.6 49.6 9.2 100 94 A E H X S+ 0 0 81 -4,-2.8 4,-2.8 1,-0.2 5,-0.3 0.889 107.2 56.6 -63.4 -43.6 -49.7 48.3 6.1 101 95 A E H X S+ 0 0 59 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.925 113.4 41.9 -57.0 -43.1 -46.4 48.1 7.8 102 96 A C H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.980 113.0 50.8 -67.3 -53.9 -48.1 45.9 10.4 103 97 A Y H X S+ 0 0 2 -4,-2.9 4,-2.6 1,-0.3 -2,-0.2 0.889 113.2 45.9 -54.5 -42.6 -50.1 43.7 8.1 104 98 A F H X S+ 0 0 83 -4,-2.8 4,-2.6 2,-0.2 5,-0.3 0.873 111.1 50.8 -75.7 -30.4 -47.1 43.0 5.9 105 99 A L H X S+ 0 0 48 -4,-1.7 4,-2.1 -5,-0.3 -1,-0.2 0.919 114.0 46.8 -67.5 -40.0 -44.8 42.2 8.8 106 100 A W H X S+ 0 0 5 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.931 114.9 45.9 -62.6 -46.1 -47.4 39.9 10.1 107 101 A K H X S+ 0 0 23 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.912 114.1 46.1 -68.5 -46.4 -48.0 38.2 6.8 108 102 A S H X S+ 0 0 60 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.885 113.2 50.2 -66.4 -39.7 -44.4 37.8 5.8 109 103 A T H X S+ 0 0 8 -4,-2.1 4,-1.7 -5,-0.3 -2,-0.2 0.956 111.8 45.8 -64.5 -48.0 -43.4 36.4 9.2 110 104 A R H < S+ 0 0 21 -4,-2.4 4,-0.3 1,-0.2 -2,-0.2 0.889 114.1 48.9 -68.8 -33.3 -46.2 33.8 9.3 111 105 A L H >< S+ 0 0 36 -4,-2.2 3,-1.2 1,-0.2 -1,-0.2 0.902 107.2 55.7 -70.5 -40.1 -45.5 32.7 5.7 112 106 A Q H 3< S+ 0 0 141 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.896 111.2 46.8 -50.8 -42.2 -41.8 32.4 6.5 113 107 A H T 3< S+ 0 0 76 -4,-1.7 2,-0.7 -5,-0.1 -88,-0.3 0.359 83.9 100.2 -96.9 8.6 -42.8 30.1 9.3 114 108 A M < + 0 0 1 -3,-1.2 2,-0.3 -4,-0.3 -90,-0.1 -0.845 53.0 147.7 -94.6 113.5 -45.2 27.8 7.4 115 109 A T - 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