==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 31-MAY-07 2Q47 . COMPND 2 MOLECULE: PROBABLE TYROSINE-PROTEIN PHOSPHATASE AT1G05000; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR E.J.LEVIN,D.A.KONDRASHOV,G.E.WESENBERG,G.N.PHILLIPS JR.,CENT . 302 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14785.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 203 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 2.6 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 . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 23 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 31.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.7 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 3 1 2 0 1 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 3 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 1 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 . 2 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 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 52 A H 0 0 186 0, 0.0 2,-0.2 0, 0.0 270,-0.2 0.000 360.0 360.0 360.0 133.2 -2.8 -19.7 23.7 2 53 A L - 0 0 43 268,-3.3 273,-0.1 269,-0.3 23,-0.1 -0.598 360.0-157.4 -87.2 147.3 0.4 -17.8 23.0 3 54 A I - 0 0 64 21,-0.4 26,-0.2 -2,-0.2 3,-0.1 -0.742 8.9-146.9-130.3 89.2 3.7 -18.5 24.8 4 55 A P - 0 0 5 0, 0.0 3,-0.1 0, 0.0 4,-0.1 -0.098 36.9 -96.6 -48.2 146.8 6.3 -15.8 25.0 5 56 A P > - 0 0 2 0, 0.0 3,-1.8 0, 0.0 14,-0.1 -0.193 63.0 -58.6 -64.2 164.4 9.8 -17.2 24.9 6 57 A L T 3 S- 0 0 83 14,-0.5 13,-4.4 1,-0.3 269,-0.0 -0.014 122.5 -2.0 -43.2 138.5 11.7 -17.7 28.1 7 58 A N T 3 S- 0 0 19 11,-0.3 -1,-0.3 1,-0.1 10,-0.0 0.760 93.0-179.2 47.8 28.9 12.2 -14.6 30.3 8 59 A F < + 0 0 13 -3,-1.8 2,-0.3 10,-0.2 10,-0.3 -0.243 9.4 151.8 -61.2 146.5 10.4 -12.6 27.6 9 60 A S E -A 17 0A 8 8,-2.7 8,-3.3 152,-0.0 2,-0.7 -0.958 46.7-106.3-171.0 153.6 10.0 -8.8 28.1 10 61 A X E -A 16 0A 11 152,-0.4 152,-0.6 -2,-0.3 6,-0.3 -0.815 30.3-169.4 -94.1 111.2 9.7 -5.5 26.2 11 62 A V - 0 0 4 4,-0.9 151,-0.4 -2,-0.7 -1,-0.2 0.953 58.4 -24.4 -59.8 -96.6 12.9 -3.5 26.4 12 63 A D S S- 0 0 54 149,-0.1 3,-0.4 4,-0.0 98,-0.0 -0.128 97.9 -53.8-103.5-156.6 12.3 0.0 25.1 13 64 A N S S+ 0 0 96 1,-0.2 153,-0.0 -2,-0.1 -2,-0.0 0.952 133.2 8.0 -47.0 -75.9 9.7 1.3 22.6 14 65 A G S S+ 0 0 23 -4,-0.0 81,-0.9 2,-0.0 2,-0.4 0.121 111.2 97.1-100.7 24.6 10.3 -1.0 19.7 15 66 A I E - b 0 95A 8 -3,-0.4 -4,-0.9 79,-0.2 2,-0.3 -0.892 49.0-165.2-117.6 143.2 12.7 -3.5 21.3 16 67 A F E -Ab 10 96A 13 79,-2.0 81,-2.7 -2,-0.4 2,-0.3 -0.858 1.0-164.8-123.0 157.6 12.2 -6.9 22.9 17 68 A R E +Ab 9 97A 3 -8,-3.3 -8,-2.7 -2,-0.3 2,-0.3 -0.993 14.5 156.4-141.8 147.1 14.2 -9.2 25.1 18 69 A S E - b 0 98A 0 79,-1.9 81,-0.6 -2,-0.3 -11,-0.3 -0.984 44.0-110.9-162.2 161.4 14.0 -12.9 26.1 19 70 A G S S- 0 0 0 -13,-4.4 80,-1.6 -2,-0.3 83,-0.4 0.916 87.3 -37.5 -58.7 -96.0 16.1 -15.8 27.3 20 71 A F - 0 0 56 81,-0.2 -14,-0.5 78,-0.2 -1,-0.2 -0.930 65.6-136.9-140.8 113.3 16.2 -18.2 24.3 21 72 A P + 0 0 1 0, 0.0 2,-0.3 0, 0.0 28,-0.1 -0.121 24.7 172.1 -66.7 158.9 13.1 -18.8 22.0 22 73 A D >> - 0 0 73 27,-0.1 3,-3.4 26,-0.1 4,-0.5 -0.948 49.4 -69.3-157.1 174.7 11.8 -22.0 20.6 23 74 A S H >> S+ 0 0 61 1,-0.3 3,-1.9 -2,-0.3 4,-0.5 0.806 125.1 56.8 -36.6 -52.2 8.9 -23.6 18.7 24 75 A A H 34 S+ 0 0 48 1,-0.3 -21,-0.4 2,-0.1 4,-0.3 0.696 108.7 51.1 -59.5 -16.3 6.3 -23.1 21.4 25 76 A N H <> S+ 0 0 9 -3,-3.4 4,-3.0 1,-0.1 -1,-0.3 0.521 84.8 89.4 -99.1 -7.4 7.2 -19.4 21.2 26 77 A F H 4 S+ 0 0 16 -4,-0.3 3,-0.6 1,-0.2 4,-0.4 0.933 119.0 47.3 -52.3 -52.7 3.5 -15.4 19.9 29 80 A L H >< S+ 0 0 6 -4,-3.0 2,-2.0 1,-0.3 3,-1.5 0.892 98.6 70.3 -57.3 -40.8 6.8 -14.3 18.3 30 81 A Q T 3< S+ 0 0 114 -4,-4.5 -1,-0.3 1,-0.2 -2,-0.1 -0.036 100.2 50.9 -71.1 39.5 5.2 -14.4 14.9 31 82 A T T < S+ 0 0 101 -2,-2.0 -1,-0.2 -3,-0.6 -2,-0.2 0.449 80.1 84.5-145.5 -25.6 3.3 -11.3 15.9 32 83 A L S < S- 0 0 33 -3,-1.5 3,-0.2 -4,-0.4 -2,-0.1 0.489 103.2-110.1 -67.6 -2.8 5.8 -8.8 17.3 33 84 A G - 0 0 48 -4,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.889 45.6-162.0 72.6 39.8 6.5 -7.6 13.8 34 85 A L + 0 0 16 -5,-0.5 -1,-0.2 1,-0.2 61,-0.2 -0.415 26.5 167.7 -63.1 112.8 9.9 -9.1 14.0 35 86 A R - 0 0 142 59,-3.2 24,-2.0 -2,-0.4 2,-0.3 0.679 68.8 -7.6 -96.2 -23.8 12.1 -7.6 11.3 36 87 A S E -cd 59 95A 1 58,-1.5 60,-1.0 22,-0.3 2,-0.4 -0.977 61.5-127.4-163.0 170.2 15.3 -9.1 12.8 37 88 A I E -cd 60 96A 7 22,-2.9 24,-2.5 -2,-0.3 2,-0.7 -0.976 5.1-150.4-131.4 143.4 16.9 -11.0 15.7 38 89 A I E -cd 61 97A 0 58,-3.3 60,-3.7 -2,-0.4 2,-0.7 -0.917 22.3-176.4-113.9 99.4 19.9 -10.3 17.9 39 90 A Y E - d 0 98A 2 22,-1.8 24,-0.5 -2,-0.7 2,-0.3 -0.883 11.1-166.2-104.5 108.4 21.2 -13.7 18.9 40 91 A L + 0 0 0 58,-3.6 25,-0.8 -2,-0.7 60,-0.2 -0.070 49.9 104.0 -87.6 34.7 24.1 -13.5 21.4 41 92 A C - 0 0 0 -2,-0.3 23,-0.2 23,-0.2 25,-0.1 -0.942 64.4-141.7-124.4 138.6 25.5 -17.1 21.2 42 93 A P S S+ 0 0 60 0, 0.0 24,-0.1 0, 0.0 -2,-0.1 0.019 80.1 91.2 -80.1 29.5 28.5 -18.7 19.5 43 94 A E S S- 0 0 63 -2,-0.1 -2,-0.2 1,-0.0 2,-0.1 -0.850 86.4 -95.1-120.7 158.3 26.4 -21.7 18.6 44 95 A P - 0 0 116 0, 0.0 3,-0.0 0, 0.0 -1,-0.0 -0.379 45.3 -97.8 -72.6 153.5 24.3 -22.4 15.5 45 96 A Y - 0 0 17 1,-0.1 5,-0.0 -2,-0.1 -6,-0.0 -0.556 45.5-102.2 -75.2 126.6 20.6 -21.5 15.4 46 97 A P >> - 0 0 41 0, 0.0 4,-3.4 0, 0.0 3,-0.7 -0.245 28.7-127.8 -51.1 123.4 18.4 -24.6 16.0 47 98 A E H 3> S+ 0 0 152 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.868 108.2 52.6 -38.3 -58.6 17.0 -25.8 12.7 48 99 A S H 3> S+ 0 0 80 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.909 117.7 39.5 -47.6 -47.1 13.4 -25.8 13.8 49 100 A N H X> S+ 0 0 7 -3,-0.7 4,-2.3 1,-0.2 3,-1.0 0.965 112.9 54.4 -66.6 -55.3 13.9 -22.2 15.0 50 101 A L H 3X S+ 0 0 44 -4,-3.4 4,-2.1 1,-0.3 5,-0.2 0.759 99.5 62.7 -51.2 -31.3 16.0 -21.2 12.0 51 102 A Q H 3X S+ 0 0 125 -4,-2.7 4,-1.4 -5,-0.3 -1,-0.3 0.948 109.6 40.7 -60.3 -46.2 13.3 -22.4 9.7 52 103 A F H << S+ 0 0 21 -4,-1.0 -2,-0.2 -3,-1.0 -1,-0.2 0.917 108.8 63.4 -64.3 -47.3 11.0 -19.7 11.2 53 104 A L H <>S+ 0 0 8 -4,-2.3 5,-0.9 1,-0.1 3,-0.4 0.925 111.2 33.4 -41.4 -66.4 13.9 -17.2 11.2 54 105 A K H >X5S+ 0 0 136 -4,-2.1 2,-4.5 1,-0.2 3,-1.5 0.983 110.3 58.7 -58.6 -70.3 14.3 -17.1 7.5 55 106 A S T 3<5S+ 0 0 76 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.1 -0.104 100.9 63.6 -60.1 48.1 10.7 -17.6 6.1 56 107 A N T 345S- 0 0 49 -2,-4.5 -1,-0.3 -3,-0.4 -2,-0.1 0.226 112.8-103.6-154.9 11.9 9.6 -14.5 8.1 57 108 A G T <45S+ 0 0 60 -3,-1.5 2,-0.5 1,-0.2 -2,-0.1 0.874 76.9 144.9 59.8 34.4 11.5 -11.5 6.6 58 109 A I << - 0 0 10 -5,-0.9 -22,-0.3 -4,-0.7 2,-0.3 -0.934 39.3-153.5-110.8 117.9 13.6 -11.8 9.8 59 110 A R E -c 36 0A 174 -24,-2.0 -22,-2.9 -2,-0.5 2,-0.5 -0.649 12.4-139.1 -88.1 147.2 17.3 -11.0 9.5 60 111 A L E -c 37 0A 55 -2,-0.3 2,-0.6 -24,-0.2 -22,-0.2 -0.924 14.8-171.2-112.7 131.9 19.7 -12.6 12.0 61 112 A F E -c 38 0A 49 -24,-2.5 -22,-1.8 -2,-0.5 2,-0.8 -0.941 8.6-172.9-119.7 105.5 22.6 -10.8 13.7 62 113 A Q + 0 0 91 -2,-0.6 2,-1.3 -24,-0.2 -22,-0.2 -0.806 11.7 176.8-108.6 97.3 24.8 -13.2 15.6 63 114 A F - 0 0 31 -2,-0.8 2,-0.2 -24,-0.5 20,-0.1 -0.686 28.6-144.6 -95.2 80.0 27.5 -11.6 17.7 64 115 A G - 0 0 19 -2,-1.3 2,-0.6 -23,-0.2 -23,-0.2 -0.263 21.5-177.8 -53.2 110.8 28.8 -14.8 19.4 65 116 A I - 0 0 3 -25,-0.8 40,-0.1 -2,-0.2 -1,-0.1 -0.950 28.6-122.3-117.4 112.1 29.9 -14.0 22.9 66 117 A E - 0 0 141 -2,-0.6 2,-0.6 -25,-0.1 8,-0.2 -0.220 25.6-145.0 -51.2 131.9 31.5 -16.8 24.9 67 118 A G + 0 0 44 6,-0.1 2,-0.3 8,-0.1 -1,-0.1 -0.890 25.0 167.8-112.4 111.5 29.5 -17.5 28.0 68 119 A N - 0 0 97 -2,-0.6 6,-0.2 6,-0.1 5,-0.0 -0.855 37.4 -92.0-118.7 155.3 31.4 -18.6 31.2 69 120 A K > - 0 0 141 -2,-0.3 3,-1.3 1,-0.1 -1,-0.1 -0.102 38.7-102.9 -63.0 159.2 30.2 -18.9 34.8 70 121 A E T 3 S+ 0 0 58 1,-0.3 3,-0.5 3,-0.1 -1,-0.1 0.772 108.3 78.5 -52.9 -36.5 30.6 -16.2 37.5 71 122 A P T 3 S- 0 0 116 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 0.894 123.1 -1.1 -41.7 -43.2 33.6 -17.7 39.3 72 123 A F S < S+ 0 0 166 -3,-1.3 2,-0.1 2,-0.0 -2,-0.0 -0.846 87.7 156.6-152.1 108.7 35.6 -16.2 36.4 73 124 A V - 0 0 22 -3,-0.5 2,-0.1 -2,-0.3 -4,-0.1 -0.410 20.0-167.5-117.9-165.9 33.9 -14.4 33.5 74 125 A N - 0 0 131 -6,-0.2 -6,-0.1 -8,-0.2 66,-0.0 -0.476 14.5-143.6 171.0 112.6 34.7 -11.7 30.9 75 126 A I - 0 0 31 -2,-0.1 2,-1.1 64,-0.1 3,-0.1 -0.762 21.0-124.3 -94.2 130.0 32.3 -9.8 28.7 76 127 A P > - 0 0 27 0, 0.0 4,-2.4 0, 0.0 5,-0.3 -0.576 23.1-170.6 -72.4 97.3 33.4 -9.0 25.0 77 128 A D H > S+ 0 0 65 -2,-1.1 4,-1.9 2,-0.2 5,-0.1 0.901 84.1 50.9 -55.5 -43.0 33.0 -5.2 25.0 78 129 A H H > S+ 0 0 131 2,-0.2 4,-2.4 1,-0.2 3,-0.4 0.984 109.9 45.2 -59.9 -64.8 33.5 -5.2 21.2 79 130 A K H > S+ 0 0 74 1,-0.3 4,-1.8 2,-0.2 5,-0.2 0.926 112.7 51.7 -46.5 -54.2 30.9 -7.8 20.3 80 131 A I H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 -1,-0.3 0.898 110.0 51.9 -50.1 -42.7 28.3 -6.2 22.6 81 132 A R H X S+ 0 0 78 -4,-1.9 4,-1.9 -3,-0.4 -1,-0.2 0.925 104.3 53.1 -60.5 -48.8 29.1 -2.9 20.8 82 133 A X H X S+ 0 0 75 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.835 115.1 44.7 -56.3 -30.7 28.6 -4.4 17.3 83 134 A A H X S+ 0 0 0 -4,-1.8 4,-3.3 -5,-0.3 -2,-0.2 0.894 110.1 51.0 -78.3 -45.0 25.2 -5.5 18.7 84 135 A L H X S+ 0 0 8 -4,-3.1 4,-1.0 -5,-0.2 -2,-0.2 0.724 108.9 57.9 -64.6 -18.7 24.5 -2.2 20.4 85 136 A K H < S+ 0 0 157 -4,-1.9 4,-0.2 -5,-0.2 -2,-0.2 0.960 111.5 36.6 -73.4 -55.7 25.3 -0.8 17.0 86 137 A V H >< S+ 0 0 23 -4,-1.6 3,-2.5 1,-0.2 6,-0.3 0.931 113.4 58.1 -62.5 -49.4 22.7 -2.8 15.1 87 138 A L H 3< S+ 0 0 1 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.851 102.3 55.6 -51.0 -38.5 20.2 -2.4 18.0 88 139 A L T 3< S+ 0 0 98 -4,-1.0 2,-0.9 -5,-0.2 -1,-0.3 0.561 84.3 99.1 -73.9 -7.4 20.4 1.3 17.7 89 140 A D X> - 0 0 61 -3,-2.5 3,-2.4 -4,-0.2 4,-0.7 -0.726 63.3-156.2 -85.8 108.8 19.5 1.2 14.0 90 141 A E G >4 S+ 0 0 153 -2,-0.9 3,-1.0 1,-0.3 -1,-0.2 0.833 90.7 66.7 -49.5 -38.8 15.7 2.1 13.8 91 142 A K G 34 S+ 0 0 167 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.734 96.7 57.1 -57.3 -24.4 15.5 0.2 10.4 92 143 A N G <4 S+ 0 0 23 -3,-2.4 -57,-0.3 -6,-0.3 -1,-0.2 0.782 88.1 131.3 -79.2 -30.3 16.3 -3.0 12.3 93 144 A H << + 0 0 28 -3,-1.0 -78,-0.1 -4,-0.7 -59,-0.1 -0.407 41.2 61.4 -69.1 147.5 13.3 -2.8 14.7 94 145 A P S S+ 0 0 35 0, 0.0 -59,-3.2 0, 0.0 -58,-1.5 0.287 81.9 153.5 -76.2 130.7 11.2 -4.6 15.6 95 146 A V E -bd 15 36A 0 -81,-0.9 -79,-2.0 -61,-0.2 2,-0.5 -0.877 38.6-141.5-124.6 155.1 14.0 -6.9 16.9 96 147 A L E -bd 16 37A 1 -60,-1.0 -58,-3.3 -2,-0.3 2,-0.5 -0.973 15.9-149.1-115.1 127.5 14.2 -9.5 19.7 97 148 A I E +bd 17 38A 0 -81,-2.7 -79,-1.9 -2,-0.5 2,-0.3 -0.852 33.2 153.9 -96.0 129.8 17.4 -9.6 21.7 98 149 A H E +bd 18 39A 0 -60,-3.7 -58,-3.6 -2,-0.5 -57,-0.2 -0.998 24.5 155.6-160.7 155.9 18.4 -13.0 23.0 99 150 A C - 0 0 0 -80,-1.6 -58,-0.1 -81,-0.6 -61,-0.0 -0.173 67.7 -53.1-139.2-124.5 21.1 -15.5 24.1 100 151 A K S S+ 0 0 86 -60,-0.2 -59,-0.0 -2,-0.1 -1,-0.0 0.917 125.6 0.6 -94.9 -68.4 20.6 -18.5 26.4 101 152 A R S S- 0 0 121 -82,-0.2 -82,-0.2 -3,-0.0 -81,-0.2 0.533 90.3-129.5 -98.4 -7.4 18.8 -17.6 29.6 102 153 A G S S+ 0 0 0 -83,-0.4 -83,-0.1 -84,-0.2 -82,-0.1 0.895 80.8 98.2 60.9 44.8 18.5 -13.9 28.6 103 154 A K S S+ 0 0 31 29,-0.1 29,-0.3 28,-0.1 28,-0.1 0.682 85.7 18.8-124.8 -45.4 20.0 -12.7 31.9 104 155 A H S >> S+ 0 0 15 3,-0.1 4,-1.9 2,-0.1 3,-0.8 0.902 129.5 32.8 -96.4 -71.7 23.7 -11.8 31.5 105 156 A R H >> S+ 0 0 29 1,-0.3 4,-1.4 2,-0.2 3,-1.1 0.979 127.1 42.9 -49.6 -64.2 24.7 -11.4 27.9 106 157 A T H 3> S+ 0 0 0 1,-0.3 4,-0.9 2,-0.2 -1,-0.3 0.584 110.2 65.3 -58.3 -8.4 21.2 -9.9 27.1 107 158 A G H <> S+ 0 0 1 -3,-0.8 4,-2.4 3,-0.1 -1,-0.3 0.894 99.7 45.2 -83.1 -42.2 21.8 -8.1 30.3 108 159 A C H S+ 0 0 5 -4,-2.5 5,-1.3 1,-0.2 -1,-0.3 0.840 107.9 55.0 -57.1 -37.3 19.7 2.1 29.3 115 166 A K H ><5S+ 0 0 49 -4,-1.8 3,-3.2 -3,-0.3 -1,-0.2 0.974 107.7 46.8 -61.4 -54.3 23.0 3.8 30.1 116 167 A L H 3<5S+ 0 0 50 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.768 107.1 61.9 -57.2 -23.5 23.1 5.6 26.8 117 168 A Q T 3<5S- 0 0 47 -4,-1.3 -1,-0.3 -5,-0.4 -2,-0.2 0.372 120.8-113.5 -84.7 4.6 19.5 6.4 27.6 118 169 A K T < 5 + 0 0 136 -3,-3.2 36,-3.9 1,-0.2 2,-0.2 0.901 59.7 155.1 66.2 46.5 20.7 8.3 30.7 119 170 A W B < -e 154 0B 16 -5,-1.3 2,-0.4 34,-0.2 36,-0.2 -0.607 50.1-101.0 -96.1 163.3 19.3 6.0 33.5 120 171 A C > - 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