==== 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 13-JUL-07 2QLT . COMPND 2 MOLECULE: (DL)-GLYCEROL-3-PHOSPHATASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR K.TAN,E.EVDOKIMOVA,M.KUDRITSKA,A.SAVCHENKO,A.EDWARDS,A.JOACH . 251 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11778.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 164 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 14 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 25.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.4 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 1 0 1 1 4 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 2 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 0 0 PARALLEL BRIDGES PER LADDER . 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 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 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 21 A A 0 0 115 0, 0.0 245,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-147.0 25.7 19.2 7.4 2 22 A M - 0 0 160 1,-0.1 3,-0.1 243,-0.1 0, 0.0 -0.304 360.0 -99.4 -73.4 152.3 26.2 23.0 6.9 3 23 A P - 0 0 41 0, 0.0 242,-0.2 0, 0.0 -1,-0.1 -0.174 39.5 -93.7 -68.6 161.5 23.2 25.2 6.1 4 24 A L - 0 0 50 240,-2.1 240,-0.4 1,-0.1 242,-0.1 -0.373 38.9-179.2 -63.2 152.4 22.2 26.4 2.7 5 25 A T + 0 0 101 238,-0.1 2,-0.2 -3,-0.1 -1,-0.1 0.543 39.5 107.5-131.5 -19.6 23.6 29.9 1.8 6 26 A T - 0 0 95 234,-0.0 -2,-0.0 2,-0.0 234,-0.0 -0.433 61.6-123.4 -78.5 138.2 22.4 30.9 -1.6 7 27 A K S S+ 0 0 86 -2,-0.2 232,-0.1 1,-0.1 2,-0.1 -0.980 81.3 33.8-132.2 141.8 19.8 33.6 -1.9 8 28 A P S S- 0 0 82 0, 0.0 2,-0.4 0, 0.0 231,-0.2 0.648 71.6-169.0 -74.8 162.1 17.1 33.8 -3.2 9 29 A L E -A 238 0A 20 229,-2.0 229,-3.1 -2,-0.1 2,-0.4 -0.981 6.6-156.2-114.4 137.8 15.9 30.3 -2.7 10 30 A S E -A 237 0A 56 -2,-0.4 2,-0.4 227,-0.2 227,-0.2 -0.909 11.1-177.8-117.0 135.3 12.7 29.3 -4.5 11 31 A L E -A 236 0A 9 225,-2.6 225,-3.2 -2,-0.4 2,-0.4 -0.981 21.3-139.6-135.7 122.8 10.3 26.5 -3.5 12 32 A K E +A 235 0A 106 -2,-0.4 2,-0.3 223,-0.2 223,-0.2 -0.665 33.1 179.1 -76.2 131.5 7.1 25.3 -5.3 13 33 A I E -A 234 0A 2 221,-2.5 221,-2.5 -2,-0.4 162,-0.2 -0.931 35.6-147.5-130.2 156.4 4.4 24.6 -2.7 14 34 A N S S- 0 0 4 160,-2.8 2,-0.3 1,-0.3 161,-0.2 0.760 81.3 -6.7 -88.3 -33.3 0.8 23.4 -2.8 15 35 A A E -c 175 0B 0 159,-1.7 161,-2.0 219,-0.1 2,-0.4 -0.991 55.4-139.7-160.5 160.9 -0.3 25.4 0.3 16 36 A A E -cd 176 112B 4 95,-2.0 97,-1.9 -2,-0.3 2,-0.4 -0.984 10.9-162.7-128.4 134.4 0.8 27.6 3.2 17 37 A L E -cd 177 113B 0 159,-2.9 161,-2.3 -2,-0.4 2,-0.5 -0.977 12.1-156.1-121.2 129.3 -0.5 27.5 6.8 18 38 A F E -cd 178 114B 5 95,-2.5 97,-2.7 -2,-0.4 161,-0.1 -0.905 11.5-148.1-114.6 130.2 0.1 30.4 9.1 19 39 A D - 0 0 4 159,-2.1 97,-0.2 -2,-0.5 3,-0.1 -0.325 16.1-153.0 -68.7 166.1 0.2 30.7 12.9 20 40 A V >>> + 0 0 0 1,-0.2 4,-2.8 95,-0.2 5,-1.9 0.747 68.2 64.3-113.0 -68.0 -1.1 34.1 14.2 21 41 A D B 345S+i 25 0C 17 1,-0.3 159,-0.3 2,-0.2 -1,-0.2 -0.434 123.2 3.3 -66.6 121.8 0.5 35.2 17.5 22 42 A G T 345S+ 0 0 0 3,-3.4 179,-0.3 -2,-0.3 -1,-0.3 0.207 133.0 60.0 89.6 -14.6 4.2 35.8 17.1 23 43 A T T <45S+ 0 0 0 -3,-1.5 -2,-0.2 2,-0.3 -3,-0.2 0.801 123.0 8.2-112.6 -48.4 4.0 35.1 13.4 24 44 A I T <5S+ 0 0 4 -4,-2.8 70,-2.2 1,-0.3 2,-0.4 0.763 136.0 24.5 -99.8 -41.4 1.6 37.6 11.9 25 45 A I E < -iJ 21 93C 0 -5,-1.9 -3,-3.4 68,-0.3 2,-1.6 -0.956 69.8-129.8-128.1 144.2 1.1 39.9 15.0 26 46 A I E + J 0 92C 47 66,-3.4 66,-0.5 -2,-0.4 4,-0.2 -0.635 50.8 147.7 -91.0 79.9 3.3 40.6 18.0 27 47 A S > + 0 0 0 -2,-1.6 4,-2.3 1,-0.2 3,-0.3 0.379 34.8 104.2 -93.5 1.5 0.5 40.0 20.5 28 48 A Q H > S+ 0 0 31 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.873 76.7 53.3 -59.3 -40.7 2.8 38.6 23.2 29 49 A P H > S+ 0 0 70 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.916 111.3 47.1 -59.3 -40.2 2.7 41.7 25.4 30 50 A A H > S+ 0 0 0 -3,-0.3 4,-2.2 -4,-0.2 -2,-0.2 0.915 113.7 47.3 -63.9 -44.4 -1.1 41.7 25.3 31 51 A I H X S+ 0 0 36 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.889 111.8 50.3 -66.4 -42.3 -1.2 38.0 26.2 32 52 A A H X S+ 0 0 23 -4,-3.0 4,-2.6 2,-0.2 5,-0.2 0.918 108.9 52.1 -62.3 -43.8 1.3 38.4 29.0 33 53 A A H X S+ 0 0 34 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.946 109.1 51.2 -57.3 -45.7 -0.7 41.3 30.4 34 54 A F H X S+ 0 0 8 -4,-2.2 4,-3.0 1,-0.2 -2,-0.2 0.924 109.6 48.8 -56.2 -47.0 -3.8 39.0 30.4 35 55 A W H X S+ 0 0 3 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.899 109.5 52.1 -66.1 -40.0 -2.0 36.2 32.2 36 56 A R H X S+ 0 0 141 -4,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.937 113.4 44.9 -60.3 -42.1 -0.7 38.7 34.9 37 57 A D H >< S+ 0 0 60 -4,-2.4 3,-1.3 -5,-0.2 4,-0.3 0.925 110.8 53.2 -62.8 -46.4 -4.3 39.8 35.4 38 58 A F H >< S+ 0 0 6 -4,-3.0 3,-0.6 1,-0.3 -1,-0.2 0.876 112.1 46.5 -57.4 -37.4 -5.6 36.3 35.4 39 59 A G H >< S+ 0 0 13 -4,-2.3 3,-2.0 1,-0.2 -1,-0.3 0.536 82.7 96.4 -81.0 -8.5 -3.1 35.4 38.2 40 60 A K T << S+ 0 0 160 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.1 0.659 95.6 31.9 -67.2 -18.4 -3.7 38.4 40.4 41 61 A D T < S+ 0 0 113 -3,-0.6 -1,-0.3 -4,-0.3 -2,-0.1 0.090 104.6 83.4-120.8 24.2 -6.2 36.6 42.7 42 62 A K X - 0 0 15 -3,-2.0 3,-1.7 3,-0.1 -1,-0.1 -0.883 52.9-172.9-132.9 93.7 -4.6 33.1 42.4 43 63 A P T 3 S+ 0 0 129 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.804 86.8 53.6 -60.5 -29.1 -1.7 32.5 44.7 44 64 A Y T 3 S+ 0 0 127 2,-0.1 2,-0.6 22,-0.0 -5,-0.0 0.434 89.1 93.6 -84.8 -5.9 -0.9 29.1 43.2 45 65 A F < - 0 0 16 -3,-1.7 2,-1.0 -6,-0.2 3,-0.1 -0.836 59.4-160.6 -97.4 117.0 -0.7 30.5 39.7 46 66 A D > - 0 0 96 -2,-0.6 4,-2.3 1,-0.2 5,-0.2 -0.814 9.6-176.9 -97.6 90.9 2.8 31.6 38.5 47 67 A A H > S+ 0 0 14 -2,-1.0 4,-3.2 1,-0.2 5,-0.2 0.908 80.0 57.8 -58.5 -44.2 1.9 33.9 35.6 48 68 A E H > S+ 0 0 105 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.917 110.0 44.7 -49.3 -49.3 5.6 34.5 34.7 49 69 A H H > S+ 0 0 88 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.924 114.0 48.6 -61.5 -46.6 6.0 30.7 34.2 50 70 A V H X S+ 0 0 1 -4,-2.3 4,-1.7 1,-0.2 3,-0.3 0.912 106.7 56.3 -66.2 -40.1 2.8 30.3 32.3 51 71 A I H < S+ 0 0 11 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.915 113.8 39.4 -57.0 -42.5 3.6 33.2 30.0 52 72 A H H < S+ 0 0 106 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.685 118.2 44.5 -90.6 -16.7 6.9 31.7 28.9 53 73 A I H < S+ 0 0 76 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.624 106.5 60.1 -94.9 -16.3 5.9 28.0 28.6 54 74 A S >< + 0 0 9 -4,-1.7 3,-2.4 -5,-0.2 -2,-0.1 0.189 60.8 142.0-108.4 19.7 2.6 28.4 26.8 55 75 A H T 3 S+ 0 0 32 1,-0.3 128,-0.5 -3,-0.2 129,-0.2 -0.394 81.6 12.6 -60.3 127.5 3.5 30.2 23.6 56 76 A G T 3 S+ 0 0 20 1,-0.3 -1,-0.3 127,-0.1 2,-0.3 0.407 101.5 124.0 84.8 -3.8 1.2 28.6 20.9 57 77 A W < - 0 0 60 -3,-2.4 -1,-0.3 90,-0.1 2,-0.2 -0.651 69.8-106.4 -85.3 149.9 -1.1 26.9 23.4 58 78 A R > - 0 0 23 90,-0.4 4,-2.2 -2,-0.3 3,-0.3 -0.484 26.3-127.5 -63.1 139.8 -4.8 27.4 23.5 59 79 A T H > S+ 0 0 10 58,-0.5 4,-2.7 1,-0.2 5,-0.2 0.910 111.7 58.0 -57.0 -40.1 -5.7 29.5 26.6 60 80 A Y H > S+ 0 0 80 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.899 107.2 47.4 -55.7 -43.0 -8.1 26.7 27.6 61 81 A D H > S+ 0 0 44 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.889 110.5 50.5 -70.6 -36.8 -5.2 24.2 27.6 62 82 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.923 114.1 45.6 -64.4 -43.1 -3.0 26.5 29.7 63 83 A I H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 7,-0.2 0.909 107.0 57.9 -64.9 -41.6 -5.8 27.0 32.2 64 84 A A H < S+ 0 0 39 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.904 115.6 38.2 -56.7 -38.9 -6.6 23.3 32.3 65 85 A K H < S+ 0 0 139 -4,-1.9 -2,-0.2 2,-0.1 -1,-0.2 0.925 129.9 25.3 -74.6 -45.9 -3.0 22.7 33.4 66 86 A F H < S+ 0 0 43 -4,-2.5 -3,-0.2 1,-0.2 -2,-0.2 0.575 139.2 13.2-106.4 -13.4 -2.4 25.6 35.7 67 87 A A >< + 0 0 0 -4,-2.9 3,-2.4 -5,-0.3 -1,-0.2 -0.330 66.8 171.0-157.2 62.6 -5.8 26.7 37.0 68 88 A P G > + 0 0 81 0, 0.0 3,-1.7 0, 0.0 -4,-0.1 0.674 68.6 74.2 -61.4 -18.9 -8.2 23.9 36.1 69 89 A D G 3 S+ 0 0 139 1,-0.3 -5,-0.1 -6,-0.1 -6,-0.0 0.766 102.7 45.7 -58.5 -23.9 -11.2 25.2 38.2 70 90 A F G < S+ 0 0 64 -3,-2.4 2,-1.8 -7,-0.2 -1,-0.3 0.282 75.9 119.0-104.3 9.1 -11.4 27.8 35.4 71 91 A A < + 0 0 26 -3,-1.7 2,-0.4 -8,-0.2 -11,-0.1 -0.560 36.3 133.3 -81.9 83.0 -11.1 25.5 32.4 72 92 A D > - 0 0 84 -2,-1.8 4,-2.8 1,-0.1 5,-0.2 -0.996 53.6-141.2-137.6 121.0 -14.6 26.3 30.9 73 93 A E H > S+ 0 0 101 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.893 100.1 46.0 -58.5 -45.1 -14.8 27.0 27.2 74 94 A E H > S+ 0 0 160 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.918 114.0 49.8 -65.0 -38.7 -17.4 29.8 27.3 75 95 A Y H > S+ 0 0 77 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.946 111.7 47.8 -65.5 -44.4 -15.5 31.5 30.2 76 96 A V H X S+ 0 0 1 -4,-2.8 4,-3.1 1,-0.2 5,-0.3 0.900 109.8 53.4 -63.6 -42.0 -12.2 31.3 28.3 77 97 A N H X S+ 0 0 45 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.917 110.2 48.6 -57.1 -43.3 -13.9 32.7 25.2 78 98 A K H X S+ 0 0 101 -4,-2.3 4,-0.8 2,-0.2 -2,-0.2 0.957 113.0 46.2 -63.0 -50.7 -15.2 35.6 27.2 79 99 A L H >< S+ 0 0 23 -4,-2.6 3,-0.9 1,-0.2 4,-0.5 0.931 114.9 46.5 -58.4 -46.7 -11.7 36.3 28.8 80 100 A E H >< S+ 0 0 4 -4,-3.1 3,-1.5 1,-0.2 -1,-0.2 0.877 103.6 61.5 -67.7 -38.6 -9.9 36.1 25.5 81 101 A G H 3< S+ 0 0 9 -4,-2.3 4,-0.4 1,-0.3 -1,-0.2 0.718 102.1 54.0 -58.1 -24.6 -12.3 38.2 23.5 82 102 A E T >S+ 0 0 2 -3,-1.5 4,-2.8 -4,-0.5 5,-1.0 0.906 84.0 52.3 -60.4 -49.6 -7.7 40.9 25.3 84 104 A P H >5S+ 0 0 0 0, 0.0 4,-1.4 0, 0.0 5,-0.3 0.945 117.2 37.5 -55.8 -46.5 -7.3 42.9 22.1 85 105 A E H 45S+ 0 0 97 -4,-0.4 4,-0.3 3,-0.2 -2,-0.2 0.922 122.8 41.5 -70.5 -45.5 -9.2 46.0 23.4 86 106 A K H <5S+ 0 0 124 -4,-2.4 -1,-0.2 1,-0.1 -3,-0.2 0.902 138.7 1.5 -68.2 -43.8 -7.9 45.9 26.9 87 107 A Y H <5S+ 0 0 55 -4,-2.8 -2,-0.2 -5,-0.3 3,-0.2 0.453 122.7 58.3-127.6 -7.0 -4.2 45.1 26.3 88 108 A G ><< + 0 0 0 -4,-1.4 3,-1.8 -5,-1.0 -3,-0.2 0.299 57.9 105.3-123.2 12.8 -3.5 44.8 22.6 89 109 A E T 3 S+ 0 0 122 -4,-0.3 -1,-0.1 1,-0.3 -4,-0.1 0.707 88.9 51.4 -68.7 -18.9 -4.3 48.0 20.6 90 110 A H T 3 S+ 0 0 128 -3,-0.2 -1,-0.3 2,-0.1 2,-0.2 0.267 79.3 131.5 -96.2 7.2 -0.6 48.7 20.4 91 111 A S < - 0 0 10 -3,-1.8 2,-0.2 -7,-0.2 -64,-0.1 -0.436 46.1-148.3 -66.0 132.1 0.2 45.2 19.0 92 112 A I E -J 26 0C 102 -66,-0.5 -66,-3.4 -2,-0.2 2,-0.1 -0.666 14.6-103.2-104.4 155.8 2.4 45.5 15.9 93 113 A E E -J 25 0C 70 -2,-0.2 -68,-0.3 -68,-0.2 -1,-0.1 -0.432 37.3-107.7 -67.1 145.1 2.7 43.4 12.8 94 114 A V > - 0 0 0 -70,-2.2 3,-2.7 -2,-0.1 4,-0.4 -0.668 62.0 -89.8 -61.5 126.3 5.7 41.1 12.4 95 115 A P T 3 S+ 0 0 48 0, 0.0 124,-1.8 0, 0.0 125,-0.5 -0.173 114.3 16.7 -50.6 132.0 7.5 43.2 9.8 96 116 A G T 3> S+ 0 0 10 123,-0.2 4,-2.5 122,-0.1 5,-0.2 0.281 93.8 110.0 91.7 -12.1 6.3 42.0 6.3 97 117 A A H <> S+ 0 0 3 -3,-2.7 4,-2.8 2,-0.2 5,-0.2 0.917 77.3 48.4 -67.4 -43.7 3.2 40.2 7.6 98 118 A V H > S+ 0 0 48 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.950 114.5 47.2 -60.2 -46.6 0.7 42.7 6.2 99 119 A K H > S+ 0 0 149 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.894 113.1 47.7 -63.2 -43.4 2.5 42.6 2.8 100 120 A L H X S+ 0 0 8 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.916 110.3 51.4 -68.4 -41.7 2.6 38.8 2.7 101 121 A C H X S+ 0 0 6 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.905 110.2 50.3 -60.2 -42.0 -1.0 38.4 3.7 102 122 A N H X S+ 0 0 97 -4,-2.3 4,-0.9 -5,-0.2 -2,-0.2 0.929 109.6 50.7 -61.5 -41.0 -2.0 40.8 0.9 103 123 A A H < S+ 0 0 33 -4,-2.3 3,-0.4 1,-0.2 4,-0.3 0.863 109.5 50.7 -66.4 -34.9 0.2 38.8 -1.6 104 124 A L H >< S+ 0 0 3 -4,-2.3 3,-1.4 1,-0.2 -1,-0.2 0.854 102.7 60.5 -66.6 -35.1 -1.6 35.6 -0.4 105 125 A N H 3< S+ 0 0 80 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.715 97.4 60.4 -63.7 -24.2 -5.0 37.3 -0.9 106 126 A A T 3< S+ 0 0 84 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.639 97.6 72.6 -80.0 -16.2 -4.1 37.7 -4.6 107 127 A L S < S- 0 0 20 -3,-1.4 5,-0.1 -4,-0.3 119,-0.0 -0.407 109.6 -72.0 -85.7 170.1 -3.8 33.9 -4.9 108 128 A P > - 0 0 42 0, 0.0 3,-2.1 0, 0.0 4,-0.2 -0.408 46.6-122.5 -60.0 141.8 -6.8 31.5 -5.0 109 129 A K G > S+ 0 0 105 1,-0.3 3,-1.2 2,-0.1 28,-0.2 0.784 108.5 69.0 -63.3 -19.7 -8.1 31.4 -1.4 110 130 A E G 3 S+ 0 0 73 1,-0.2 -1,-0.3 26,-0.1 3,-0.1 0.461 83.4 74.6 -75.4 1.4 -7.6 27.6 -1.3 111 131 A K G < S+ 0 0 4 -3,-2.1 -95,-2.0 -7,-0.2 2,-0.3 0.551 102.2 24.3 -90.6 -8.6 -3.8 28.1 -1.3 112 132 A W E < -d 16 0B 20 -3,-1.2 2,-0.3 -97,-0.2 25,-0.3 -0.996 56.0-179.2-155.9 160.0 -3.5 29.2 2.3 113 133 A A E -d 17 0B 2 -97,-1.9 -95,-2.5 -2,-0.3 2,-0.4 -0.976 24.6-123.7-152.3 159.7 -5.0 29.2 5.7 114 134 A V E -de 18 138B 0 23,-2.4 25,-3.2 -2,-0.3 2,-0.4 -0.914 20.3-175.9-105.0 137.7 -4.6 30.4 9.2 115 135 A A E + e 0 139B 0 -97,-2.7 2,-0.3 -2,-0.4 25,-0.2 -0.914 17.4 167.4-133.7 105.1 -4.4 27.9 12.1 116 136 A T - 0 0 4 23,-3.2 -97,-0.1 -2,-0.4 7,-0.0 -0.915 43.7-141.6-120.7 148.6 -4.2 29.6 15.5 117 137 A S S S+ 0 0 8 -2,-0.3 -58,-0.5 23,-0.1 23,-0.1 0.554 78.9 101.4 -76.7 -11.0 -4.5 28.5 19.1 118 138 A G S S- 0 0 5 -60,-0.1 23,-2.5 1,-0.1 -2,-0.2 -0.398 83.7-106.8 -66.0 150.5 -6.3 31.9 19.8 119 139 A T > - 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