==== 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 22-MAY-09 3HJU . COMPND 2 MOLECULE: MONOGLYCERIDE LIPASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.LABAR,C.BAUVOIS,F.BOREL,J.-L.FERRER,J.WOUTERS,D.M.LAMBERT . 582 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23840.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 419 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 37 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 177 30.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 2 0 0 0 2 2 2 0 2 1 0 0 0 5 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 6 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 . 4 0 2 2 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 . 2 0 0 0 0 0 0 0 0 0 0 0 1 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 7 A P 0 0 72 0, 0.0 22,-0.2 0, 0.0 9,-0.1 0.000 360.0 360.0 360.0 -76.1 -31.5 12.4 -18.5 2 8 A R - 0 0 120 7,-0.1 8,-2.4 8,-0.1 2,-0.4 0.099 360.0 -80.9 81.2 169.5 -28.3 13.2 -20.3 3 9 A R B -A 9 0A 173 6,-0.3 5,-0.1 7,-0.1 4,-0.0 -0.890 30.9-121.8-111.9 141.0 -26.8 12.1 -23.6 4 10 A T > - 0 0 8 4,-3.6 3,-1.9 -2,-0.4 72,-0.1 -0.282 42.8 -99.3 -60.0 162.1 -24.9 8.9 -24.6 5 11 A P T 3 S+ 0 0 118 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.645 126.0 69.1 -59.7 -18.3 -21.4 9.6 -26.0 6 12 A Q T 3 S- 0 0 94 2,-0.2 -2,-0.1 1,-0.0 0, 0.0 0.285 124.3-108.2 -84.3 10.2 -23.0 9.1 -29.4 7 13 A S S < S+ 0 0 87 -3,-1.9 -1,-0.0 1,-0.2 0, 0.0 0.359 77.2 132.2 92.3 -3.1 -24.7 12.4 -28.6 8 14 A I - 0 0 80 1,-0.1 -4,-3.6 -5,-0.1 -1,-0.2 -0.650 60.6-113.5-101.4 133.5 -28.1 10.9 -28.0 9 15 A P B > -A 3 0A 34 0, 0.0 3,-0.7 0, 0.0 4,-0.4 -0.374 18.4-139.3 -62.1 136.3 -30.5 11.5 -25.0 10 16 A Y T 3 S+ 0 0 19 -8,-2.4 3,-0.4 1,-0.2 -7,-0.1 0.678 101.2 59.2 -66.1 -26.8 -31.0 8.4 -22.8 11 17 A Q T 3 S+ 0 0 109 -9,-0.4 -1,-0.2 1,-0.2 4,-0.1 0.658 90.9 71.0 -78.4 -22.9 -34.8 9.0 -22.4 12 18 A D S < S+ 0 0 104 -3,-0.7 -1,-0.2 2,-0.1 -2,-0.2 0.802 98.5 57.3 -54.7 -37.0 -35.2 8.8 -26.2 13 19 A L S S- 0 0 47 -4,-0.4 0, 0.0 -3,-0.4 0, 0.0 -0.728 105.9 -86.7-103.0 155.3 -34.5 5.0 -25.9 14 20 A P + 0 0 73 0, 0.0 12,-2.0 0, 0.0 2,-0.3 -0.322 69.9 146.5 -53.5 138.3 -36.3 2.4 -23.9 15 21 A H E -B 25 0B 67 10,-0.3 2,-0.3 -4,-0.1 10,-0.2 -0.898 40.2-138.3-165.3 178.8 -34.7 2.4 -20.5 16 22 A L E -B 24 0B 18 8,-1.5 8,-2.8 -2,-0.3 2,-0.6 -0.956 22.0-124.8-151.7 152.7 -35.1 2.0 -16.8 17 23 A V E -B 23 0B 62 -2,-0.3 6,-0.2 6,-0.2 -2,-0.0 -0.924 26.5-147.0-113.4 120.0 -33.7 4.0 -13.9 18 24 A N > - 0 0 6 4,-2.7 3,-2.4 -2,-0.6 75,-0.0 -0.165 32.5 -92.5 -82.3 176.6 -31.8 2.1 -11.3 19 25 A A T 3 S+ 0 0 71 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.706 125.7 54.3 -62.9 -22.4 -31.5 2.7 -7.5 20 26 A D T 3 S- 0 0 87 2,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.356 121.7-106.3 -90.4 5.7 -28.4 4.9 -8.0 21 27 A G S < S+ 0 0 35 -3,-2.4 2,-0.4 1,-0.3 -2,-0.2 0.617 73.9 140.1 79.4 15.1 -30.3 7.1 -10.5 22 28 A Q - 0 0 50 56,-0.1 -4,-2.7 1,-0.0 2,-0.6 -0.728 52.5-121.6 -95.3 143.2 -28.5 5.7 -13.6 23 29 A Y E -B 17 0B 23 -2,-0.4 55,-3.3 -6,-0.2 2,-0.5 -0.690 23.7-163.7 -80.9 124.2 -30.2 5.0 -16.9 24 30 A L E -B 16 0B 0 -8,-2.8 -8,-1.5 -2,-0.6 2,-0.3 -0.899 20.3-126.4-101.9 131.8 -30.0 1.5 -18.2 25 31 A F E -B 15 0B 17 -2,-0.5 45,-2.4 -10,-0.2 2,-0.3 -0.609 30.2-156.7 -74.0 139.0 -30.8 0.8 -21.8 26 32 A C E -C 69 0C 1 -12,-2.0 2,-0.4 -2,-0.3 43,-0.3 -0.844 10.1-159.1-121.4 153.2 -33.5 -1.9 -22.1 27 33 A R E -C 68 0C 52 41,-2.5 41,-2.0 -2,-0.3 2,-0.4 -0.994 6.6-166.2-134.6 138.5 -34.5 -4.2 -24.9 28 34 A Y E -C 67 0C 76 -2,-0.4 2,-0.5 39,-0.2 39,-0.2 -0.977 12.8-173.3-127.3 133.6 -37.8 -6.1 -25.5 29 35 A W E -C 66 0C 17 37,-3.0 37,-1.9 -2,-0.4 -2,-0.0 -0.888 22.2-176.8-123.2 99.0 -38.7 -8.9 -27.8 30 36 A K - 0 0 113 -2,-0.5 2,-0.3 35,-0.2 35,-0.1 -0.786 21.2-134.4-105.6 136.0 -42.5 -9.4 -27.5 31 37 A P - 0 0 15 0, 0.0 30,-0.1 0, 0.0 34,-0.0 -0.681 23.8-120.3 -80.7 143.4 -44.5 -12.1 -29.2 32 38 A T S S+ 0 0 162 -2,-0.3 -2,-0.0 2,-0.1 0, 0.0 0.895 94.6 53.9 -46.3 -47.9 -47.8 -11.0 -30.9 33 39 A G S S- 0 0 43 1,-0.2 30,-0.0 -3,-0.0 0, 0.0 0.011 110.8 -65.0 -82.9-171.5 -49.8 -13.2 -28.7 34 40 A T - 0 0 122 1,-0.1 2,-0.2 2,-0.0 -1,-0.2 -0.577 62.6-116.0 -75.7 135.5 -50.1 -13.6 -25.0 35 41 A P - 0 0 15 0, 0.0 29,-0.2 0, 0.0 28,-0.1 -0.495 11.7-150.9 -82.2 147.1 -46.8 -14.9 -23.7 36 42 A K S S- 0 0 107 27,-2.8 2,-0.3 1,-0.2 28,-0.2 0.751 77.6 -14.1 -79.4 -23.5 -46.3 -18.3 -22.0 37 43 A A E -d 64 0C 0 26,-0.8 28,-3.1 71,-0.2 2,-0.4 -0.990 62.3-110.3-169.8 162.8 -43.4 -17.0 -19.9 38 44 A L E -de 65 110C 1 71,-3.0 73,-3.3 -2,-0.3 2,-0.4 -0.881 25.0-172.4-102.4 143.1 -40.8 -14.2 -19.2 39 45 A I E -de 66 111C 0 26,-2.2 28,-2.7 -2,-0.4 2,-0.5 -0.960 9.9-154.6-135.9 119.8 -37.1 -14.6 -19.7 40 46 A F E -de 67 112C 0 71,-3.0 73,-2.8 -2,-0.4 2,-0.6 -0.785 11.3-151.0 -86.0 132.7 -34.4 -12.1 -18.7 41 47 A V E -de 68 113C 5 26,-2.4 2,-0.6 -2,-0.5 28,-0.5 -0.913 8.6-165.4-105.7 119.2 -31.2 -12.2 -20.7 42 48 A S E - e 0 114C 2 71,-3.1 73,-1.9 -2,-0.6 80,-0.1 -0.917 11.4-147.3-109.0 122.8 -28.0 -11.1 -18.9 43 49 A H - 0 0 1 -2,-0.6 78,-0.1 26,-0.4 6,-0.1 -0.242 15.3-105.9 -82.0 169.3 -25.0 -10.4 -20.9 44 50 A G > - 0 0 1 1,-0.2 3,-1.4 73,-0.2 72,-0.1 -0.177 49.2 -63.1 -87.7 179.1 -21.3 -10.8 -20.1 45 51 A A T 3 S+ 0 0 41 1,-0.2 -1,-0.2 -2,-0.1 3,-0.1 -0.285 117.7 8.1 -64.3 143.8 -18.5 -8.5 -19.3 46 52 A G T 3 S+ 0 0 4 1,-0.2 149,-2.0 -3,-0.1 -1,-0.2 0.333 115.9 83.8 73.3 -13.4 -17.6 -5.9 -22.0 47 53 A E < - 0 0 10 -3,-1.4 28,-0.3 147,-0.2 2,-0.3 -0.143 63.4-140.3-109.6-154.5 -20.5 -6.8 -24.2 48 54 A H > - 0 0 6 26,-0.1 3,-1.5 -3,-0.1 -4,-0.2 -0.977 32.8 -89.7-163.1 172.2 -24.2 -5.8 -24.3 49 55 A S G > S+ 0 0 1 -2,-0.3 3,-1.9 1,-0.3 -1,-0.0 0.702 109.6 74.9 -66.4 -23.5 -27.8 -7.0 -24.9 50 56 A G G > S+ 0 0 19 1,-0.3 3,-1.0 2,-0.1 -1,-0.3 0.759 85.7 65.9 -61.3 -21.9 -27.7 -6.3 -28.7 51 57 A R G < S+ 0 0 17 -3,-1.5 -1,-0.3 1,-0.2 3,-0.3 0.574 91.4 63.2 -78.8 -7.6 -25.5 -9.4 -29.1 52 58 A Y G <> + 0 0 2 -3,-1.9 4,-3.0 1,-0.2 5,-0.2 0.189 68.2 114.9-100.0 18.5 -28.4 -11.7 -28.0 53 59 A E H <> S+ 0 0 37 -3,-1.0 4,-1.9 1,-0.2 -1,-0.2 0.898 76.7 41.7 -58.7 -48.1 -30.6 -10.7 -30.9 54 60 A E H > S+ 0 0 109 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.925 116.2 49.5 -72.1 -41.6 -30.8 -14.1 -32.7 55 61 A L H > S+ 0 0 6 -4,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.921 110.7 50.0 -57.4 -44.8 -31.2 -16.0 -29.5 56 62 A A H X S+ 0 0 1 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.856 108.0 54.2 -63.9 -34.9 -34.0 -13.6 -28.3 57 63 A R H X S+ 0 0 143 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.896 108.3 49.2 -68.1 -36.4 -35.8 -14.1 -31.7 58 64 A M H < S+ 0 0 35 -4,-2.0 4,-0.4 2,-0.2 -2,-0.2 0.926 111.6 47.8 -65.7 -44.2 -35.8 -17.8 -31.2 59 65 A L H ><>S+ 0 0 0 -4,-2.1 5,-1.5 1,-0.2 3,-1.4 0.902 110.0 52.8 -65.0 -38.2 -37.1 -17.6 -27.7 60 66 A M H ><5S+ 0 0 53 -4,-2.4 3,-2.4 1,-0.3 -1,-0.2 0.882 100.2 63.1 -64.8 -34.9 -39.8 -15.2 -28.8 61 67 A G T 3<5S+ 0 0 59 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.670 98.8 55.4 -62.7 -15.6 -40.8 -17.8 -31.5 62 68 A L T < 5S- 0 0 34 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.276 128.0-103.5 -94.4 8.9 -41.6 -20.0 -28.6 63 69 A D T < 5S+ 0 0 63 -3,-2.4 -27,-2.8 1,-0.3 -26,-0.8 0.806 74.5 142.5 69.9 32.3 -44.0 -17.3 -27.3 64 70 A L E < - d 0 37C 1 -5,-1.5 2,-0.9 -29,-0.2 -1,-0.3 -0.814 54.3-129.0 -98.8 144.4 -41.7 -16.1 -24.5 65 71 A L E - d 0 38C 0 -28,-3.1 -26,-2.2 -2,-0.4 2,-0.5 -0.852 31.5-160.0 -89.1 108.9 -41.5 -12.5 -23.7 66 72 A V E +Cd 29 39C 0 -37,-1.9 -37,-3.0 -2,-0.9 2,-0.3 -0.774 15.2 173.2 -92.8 128.9 -37.7 -11.9 -23.8 67 73 A F E +Cd 28 40C 0 -28,-2.7 -26,-2.4 -2,-0.5 2,-0.3 -0.966 5.1 158.4-136.6 161.8 -36.3 -8.9 -22.0 68 74 A A E -Cd 27 41C 0 -41,-2.0 -41,-2.5 -2,-0.3 2,-0.3 -0.980 19.4-152.5-161.0 163.1 -32.9 -7.4 -21.1 69 75 A H E -C 26 0C 0 -28,-0.5 2,-0.5 -2,-0.3 -26,-0.4 -0.971 33.0-105.9-136.9 162.9 -31.0 -4.4 -20.2 70 76 A D - 0 0 0 -45,-2.4 -45,-0.2 -2,-0.3 4,-0.1 -0.718 44.8-116.8 -80.0 126.6 -27.4 -3.4 -20.6 71 77 A H > - 0 0 1 -2,-0.5 3,-1.8 1,-0.1 6,-0.3 -0.294 44.9 -80.0 -61.0 156.2 -25.6 -3.7 -17.2 72 78 A V T 3 S+ 0 0 6 1,-0.3 7,-0.2 17,-0.1 -1,-0.1 -0.200 122.7 27.0 -61.3 143.2 -24.3 -0.4 -15.8 73 79 A G T 3 S+ 0 0 1 5,-2.7 9,-2.0 1,-0.2 2,-0.3 0.521 111.5 98.7 78.5 6.9 -21.0 0.6 -17.4 74 80 A H S X S- 0 0 4 -3,-1.8 3,-2.4 4,-0.4 -1,-0.2 -0.941 82.8 -33.6-130.3 152.7 -22.0 -1.4 -20.6 75 81 A G T 3 S- 0 0 5 118,-0.7 -27,-0.1 -2,-0.3 -2,-0.0 -0.177 121.4 -16.4 50.9-123.8 -23.4 -1.0 -24.0 76 82 A Q T 3 S+ 0 0 41 -51,-0.1 -1,-0.3 -72,-0.1 2,-0.1 0.322 111.7 100.5 -99.8 8.1 -25.9 1.9 -24.1 77 83 A S S < S- 0 0 1 -3,-2.4 -53,-0.2 -6,-0.3 -6,-0.1 -0.482 76.6 -97.0 -81.2 164.6 -26.5 2.2 -20.4 78 84 A E + 0 0 17 -55,-3.3 -5,-2.7 -2,-0.1 -4,-0.4 -0.192 69.6 75.7 -70.4 170.6 -24.9 4.8 -18.2 79 85 A G S S- 0 0 30 -7,-0.2 3,-0.1 -6,-0.2 5,-0.0 -0.012 85.8 -57.1 111.7 153.4 -21.8 4.6 -16.0 80 86 A E S > S- 0 0 105 1,-0.1 3,-1.0 -2,-0.1 2,-0.1 -0.309 76.9 -86.2 -58.4 141.8 -18.0 4.6 -16.5 81 87 A R T 3 S- 0 0 84 1,-0.2 -7,-0.2 -7,-0.0 -1,-0.1 -0.321 99.9 -13.5 -63.4 128.3 -17.1 1.7 -18.8 82 88 A M T 3 S+ 0 0 9 -9,-2.0 118,-0.4 1,-0.2 2,-0.3 0.876 104.9 115.4 46.1 54.6 -16.7 -1.7 -17.0 83 89 A V < + 0 0 29 -3,-1.0 2,-0.3 -11,-0.1 -1,-0.2 -0.962 37.6 178.4-139.1 147.9 -16.5 -0.3 -13.5 84 90 A V - 0 0 16 -2,-0.3 3,-0.2 1,-0.1 122,-0.1 -0.972 34.8-133.1-155.7 142.1 -19.0 -0.9 -10.7 85 91 A S S S- 0 0 94 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.902 96.4 -9.3 -61.9 -38.4 -19.2 0.2 -7.1 86 92 A D > - 0 0 54 -3,-0.1 3,-2.7 1,-0.1 4,-0.4 -0.952 68.0-119.3-158.9 141.2 -20.0 -3.4 -6.0 87 93 A F T >> S+ 0 0 0 -2,-0.3 3,-1.9 1,-0.3 4,-0.6 0.802 107.6 71.3 -52.3 -31.9 -20.8 -6.4 -8.0 88 94 A H H 3> S+ 0 0 66 1,-0.3 4,-3.0 2,-0.2 -1,-0.3 0.726 79.0 77.5 -64.5 -18.4 -24.2 -6.7 -6.3 89 95 A V H <> S+ 0 0 11 -3,-2.7 4,-2.2 1,-0.2 -1,-0.3 0.889 92.2 52.9 -51.3 -40.4 -25.3 -3.6 -8.2 90 96 A F H <> S+ 0 0 0 -3,-1.9 4,-2.0 -4,-0.4 -1,-0.2 0.889 111.0 45.3 -64.4 -40.6 -25.8 -5.9 -11.3 91 97 A V H X S+ 0 0 0 -4,-0.6 4,-2.6 2,-0.2 -2,-0.2 0.920 110.8 52.8 -72.9 -45.7 -28.0 -8.3 -9.4 92 98 A R H X S+ 0 0 60 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.928 111.0 47.8 -50.2 -47.4 -30.1 -5.5 -7.8 93 99 A D H X S+ 0 0 1 -4,-2.2 4,-2.3 -5,-0.2 5,-0.2 0.896 109.4 51.8 -70.1 -39.5 -30.8 -4.0 -11.2 94 100 A V H X S+ 0 0 2 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.948 111.3 49.4 -58.2 -45.1 -31.7 -7.4 -12.7 95 101 A L H X S+ 0 0 7 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.891 107.9 54.1 -60.6 -41.2 -34.1 -7.8 -9.8 96 102 A Q H X S+ 0 0 58 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.937 111.5 44.1 -55.0 -48.7 -35.6 -4.4 -10.4 97 103 A H H X S+ 0 0 2 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.907 113.4 50.2 -72.2 -41.8 -36.3 -5.1 -14.0 98 104 A V H X S+ 0 0 0 -4,-2.6 4,-3.0 -5,-0.2 -1,-0.2 0.936 108.7 52.1 -58.6 -48.7 -37.7 -8.6 -13.2 99 105 A D H X S+ 0 0 60 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.926 110.9 49.1 -60.3 -40.4 -40.0 -7.2 -10.5 100 106 A S H X S+ 0 0 60 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.910 112.2 46.5 -59.7 -46.0 -41.3 -4.6 -12.9 101 107 A M H >X S+ 0 0 13 -4,-2.3 4,-0.9 1,-0.2 3,-0.6 0.923 109.4 54.1 -67.2 -41.9 -42.0 -7.1 -15.6 102 108 A Q H 3< S+ 0 0 42 -4,-3.0 3,-0.4 1,-0.2 -1,-0.2 0.812 102.4 59.0 -57.1 -34.9 -43.6 -9.5 -13.2 103 109 A K H 3< S+ 0 0 172 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.837 109.7 44.2 -62.7 -35.0 -46.1 -6.7 -12.1 104 110 A D H << S+ 0 0 113 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.632 123.6 34.6 -82.2 -15.5 -47.2 -6.3 -15.7 105 111 A Y S >< S- 0 0 63 -4,-0.9 3,-1.9 -3,-0.4 -1,-0.2 -0.465 84.1-170.1-137.2 56.7 -47.5 -10.1 -16.3 106 112 A P T 3 S+ 0 0 102 0, 0.0 -3,-0.1 0, 0.0 -4,-0.0 -0.145 70.5 18.0 -56.0 143.5 -48.6 -11.4 -12.9 107 113 A G T 3 S+ 0 0 82 1,-0.2 -4,-0.1 -5,-0.1 -5,-0.1 0.260 89.4 129.9 76.8 -15.8 -48.5 -15.2 -12.6 108 114 A L < - 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