==== 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 05-JUN-08 3DDG . COMPND 2 MOLECULE: ALPHA-MANNOSIDASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; . AUTHOR D.A.KUNTZ,D.R.ROSE,D.HOFFMAN . 1015 1 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36159.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 657 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 209 20.6 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 . 7 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 86 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 192 18.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.8 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 0 0 3 1 1 0 1 1 1 1 1 1 0 0 1 1 0 1 0 0 0 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 2 2 3 2 1 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 PARALLEL BRIDGES PER LADDER . 8 7 2 6 3 4 3 4 1 0 1 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 1 3 2 1 0 0 0 0 1 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 31 A a 0 0 121 0, 0.0 2,-0.1 0, 0.0 1000,-0.0 0.000 360.0 360.0 360.0 131.5 43.6 37.4 -18.6 2 32 A Q - 0 0 58 1001,-0.1 2,-0.6 1,-0.1 220,-0.0 -0.373 360.0-118.0 -62.8 142.1 39.9 37.7 -17.7 3 33 A D - 0 0 58 1,-0.1 4,-0.5 -2,-0.1 220,-0.2 -0.760 27.0-170.1 -85.5 119.6 37.7 39.0 -20.4 4 34 A V S S+ 0 0 4 -2,-0.6 -1,-0.1 1,-0.1 877,-0.1 0.425 76.8 44.5 -95.6 4.6 36.2 42.3 -19.1 5 35 A V S S+ 0 0 14 869,-0.1 871,-0.5 870,-0.1 -1,-0.1 0.803 110.5 38.9-109.2 -45.2 33.7 42.7 -21.9 6 36 A Q S S+ 0 0 129 869,-0.2 2,-0.6 1,-0.1 -2,-0.1 0.570 98.1 70.7 -97.6 -11.7 31.8 39.5 -22.8 7 37 A D - 0 0 74 -4,-0.5 -1,-0.1 214,-0.2 216,-0.1 -0.898 68.5-148.8-111.9 106.2 31.1 37.7 -19.5 8 38 A V - 0 0 57 -2,-0.6 213,-0.1 1,-0.1 871,-0.1 -0.604 27.4-119.0 -72.8 118.4 28.5 39.3 -17.3 9 39 A P - 0 0 14 0, 0.0 2,-0.8 0, 0.0 214,-0.1 -0.229 15.2-132.4 -58.2 142.4 29.4 38.6 -13.6 10 40 A N + 0 0 148 213,-0.4 2,-0.3 2,-0.0 3,-0.0 -0.865 40.2 163.6 -96.0 108.0 27.0 36.6 -11.5 11 41 A V - 0 0 22 -2,-0.8 3,-0.1 1,-0.1 359,-0.1 -0.907 45.6-129.9-126.3 155.2 26.6 38.5 -8.2 12 42 A D S S+ 0 0 104 -2,-0.3 2,-0.5 357,-0.3 358,-0.2 0.872 100.8 25.6 -66.9 -40.0 24.0 38.4 -5.4 13 43 A V E -a 370 0A 6 356,-1.8 358,-2.1 -3,-0.0 2,-0.5 -0.992 64.6-178.6-129.3 121.0 23.5 42.2 -5.4 14 44 A Q E > -a 371 0A 27 -2,-0.5 4,-2.8 356,-0.2 3,-0.4 -0.983 22.7-144.2-120.4 121.5 24.2 44.3 -8.4 15 45 A M H > S+ 0 0 5 356,-2.5 4,-2.4 -2,-0.5 357,-0.1 0.767 96.2 49.2 -65.9 -32.0 23.6 47.9 -7.6 16 46 A L H > S+ 0 0 32 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.887 114.9 47.3 -68.8 -38.1 22.1 49.1 -11.0 17 47 A E H > S+ 0 0 86 -3,-0.4 4,-1.6 2,-0.2 -2,-0.2 0.938 112.1 49.8 -66.1 -43.1 19.7 46.1 -10.9 18 48 A L H X S+ 0 0 4 -4,-2.8 4,-2.1 1,-0.2 3,-0.3 0.928 109.0 52.3 -61.6 -43.6 18.8 46.9 -7.2 19 49 A Y H < S+ 0 0 19 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.895 106.1 53.7 -58.2 -41.1 18.2 50.5 -8.2 20 50 A D H < S+ 0 0 83 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.873 115.3 40.6 -61.6 -36.3 15.8 49.4 -11.0 21 51 A R H < S+ 0 0 134 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.747 94.0 95.2 -85.9 -31.8 13.7 47.3 -8.5 22 52 A M < - 0 0 9 -4,-2.1 181,-0.0 -5,-0.2 180,-0.0 -0.357 57.8-153.6 -75.7 150.4 13.6 49.5 -5.4 23 53 A S - 0 0 83 179,-0.1 -1,-0.1 2,-0.1 -4,-0.0 0.645 20.2-147.5 -90.1 -21.9 10.7 51.8 -4.7 24 54 A F + 0 0 22 1,-0.2 2,-0.2 178,-0.1 178,-0.1 0.792 29.5 175.0 60.0 32.7 12.8 54.3 -2.6 25 55 A K - 0 0 152 1,-0.1 2,-0.9 177,-0.1 -1,-0.2 -0.510 25.3-147.2 -74.4 139.8 9.7 55.1 -0.4 26 56 A D + 0 0 83 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 -0.673 34.3 160.8-108.3 76.4 10.6 57.4 2.5 27 57 A I - 0 0 103 -2,-0.9 2,-0.8 7,-0.1 -2,-0.0 -0.689 49.2-101.9-102.9 156.7 8.3 56.2 5.3 28 58 A D - 0 0 115 -2,-0.3 6,-0.2 1,-0.2 5,-0.1 -0.611 33.5-174.1 -76.3 108.7 8.5 56.8 9.0 29 59 A G - 0 0 13 4,-2.5 3,-0.4 -2,-0.8 2,-0.3 0.382 40.9-114.4 -89.2 5.7 9.9 53.5 10.4 30 60 A G S S- 0 0 24 3,-0.3 -1,-0.3 1,-0.2 5,-0.1 -0.809 82.1 -3.9 103.3-140.3 9.5 54.6 14.0 31 61 A V S S+ 0 0 62 -2,-0.3 2,-1.3 1,-0.2 -1,-0.2 0.886 136.8 56.3 -56.3 -39.8 12.5 55.1 16.4 32 62 A W S > S- 0 0 14 -3,-0.4 3,-1.9 1,-0.2 -1,-0.2 -0.794 87.7-165.4 -88.3 93.9 14.7 53.8 13.5 33 63 A K T 3 S+ 0 0 123 -2,-1.3 -4,-2.5 1,-0.3 -3,-0.3 0.784 81.1 34.4 -58.4 -32.3 13.3 56.6 11.3 34 64 A Q T 3 S+ 0 0 24 -6,-0.2 -1,-0.3 -5,-0.1 171,-0.2 0.243 123.8 39.3-108.4 13.2 14.5 55.0 8.0 35 65 A G S < S- 0 0 1 -3,-1.9 2,-0.3 212,-0.1 -8,-0.1 0.058 87.8 -92.4-126.8-126.8 14.1 51.4 8.9 36 66 A W - 0 0 72 -2,-0.1 2,-0.9 169,-0.0 -7,-0.1 -0.901 48.7 -73.7-153.7 170.3 11.5 49.3 10.9 37 67 A N - 0 0 110 -2,-0.3 2,-0.2 -6,-0.1 -7,-0.1 -0.691 54.7-139.7 -77.2 105.4 11.0 48.1 14.5 38 68 A I - 0 0 12 -2,-0.9 2,-0.3 1,-0.0 256,-0.1 -0.441 20.1-168.9 -71.3 136.2 13.6 45.3 14.8 39 69 A K - 0 0 179 -2,-0.2 2,-0.3 255,-0.1 -1,-0.0 -0.916 3.5-173.3-121.0 149.0 12.5 42.2 16.6 40 70 A Y - 0 0 62 -2,-0.3 254,-0.1 256,-0.0 3,-0.0 -0.971 31.6-111.4-137.6 156.6 14.7 39.4 17.8 41 71 A D > - 0 0 93 -2,-0.3 3,-2.9 1,-0.1 4,-0.4 -0.812 22.4-150.7 -83.6 111.2 14.3 35.9 19.4 42 72 A P G > S+ 0 0 88 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.777 96.2 60.8 -55.4 -23.6 15.7 36.3 23.0 43 73 A L G 3 S+ 0 0 139 1,-0.2 -2,-0.0 -3,-0.0 0, 0.0 0.446 77.5 87.9 -85.4 -2.0 16.5 32.6 22.7 44 74 A K G < S+ 0 0 65 -3,-2.9 2,-0.4 2,-0.0 -1,-0.2 0.861 88.6 54.3 -62.0 -36.6 18.9 33.1 19.7 45 75 A Y S < S+ 0 0 8 -3,-0.7 2,-0.2 -4,-0.4 5,-0.2 -0.834 71.5 145.2-103.6 135.9 21.7 33.7 22.2 46 76 A N B > -F 49 0B 71 3,-1.9 3,-1.4 -2,-0.4 293,-0.0 -0.893 64.4 -68.4-153.9-174.9 22.5 31.2 24.9 47 77 A A T 3 S+ 0 0 73 1,-0.3 3,-0.2 -2,-0.2 -2,-0.0 0.800 133.1 40.7 -55.2 -28.2 25.5 29.7 26.9 48 78 A H T 3 S+ 0 0 187 1,-0.3 -1,-0.3 2,-0.0 2,-0.2 0.514 122.6 39.9-101.1 -7.9 26.8 27.9 23.8 49 79 A H B < S+F 46 0B 61 -3,-1.4 -3,-1.9 2,-0.0 -1,-0.3 -0.730 77.2 175.9-144.2 84.1 26.2 30.8 21.4 50 80 A K - 0 0 64 -3,-0.2 2,-0.6 -2,-0.2 292,-0.2 -0.548 35.4-115.2 -88.6 153.6 27.0 34.2 22.9 51 81 A L E -g 342 0C 0 290,-2.5 292,-2.5 -2,-0.2 2,-0.6 -0.846 28.8-152.3 -84.5 120.5 26.8 37.6 21.2 52 82 A K E -gh 343 303C 78 250,-2.8 252,-3.1 -2,-0.6 2,-0.5 -0.875 13.4-163.4 -97.6 119.8 30.5 38.9 21.2 53 83 A V E -gh 344 304C 0 290,-2.6 292,-1.9 -2,-0.6 2,-0.6 -0.930 9.8-164.4-115.0 125.2 30.4 42.7 21.2 54 84 A F E -gh 345 305C 21 250,-2.9 252,-3.0 -2,-0.5 2,-0.6 -0.947 4.5-161.7-109.0 114.1 33.4 44.9 20.2 55 85 A V E -gh 346 306C 0 290,-2.8 292,-2.5 -2,-0.6 40,-0.1 -0.870 11.5-162.3 -96.9 118.7 33.1 48.6 21.2 56 86 A V E - h 0 307C 0 250,-2.6 252,-2.8 -2,-0.6 292,-0.1 -0.869 6.2-148.2-115.7 99.4 35.6 50.5 19.1 57 87 A P E + h 0 308C 0 0, 0.0 40,-1.8 0, 0.0 2,-0.3 -0.442 29.7 163.5 -65.7 138.3 36.5 54.0 20.4 58 88 A H E -ih 97 309C 2 250,-1.9 252,-0.6 38,-0.2 2,-0.4 -0.963 31.3-148.6-152.3 164.8 37.4 56.4 17.6 59 89 A S E - h 0 310C 5 38,-0.6 2,-0.7 -2,-0.3 40,-0.3 -0.930 16.7-141.4-145.2 113.0 37.8 60.1 16.8 60 90 A H E - h 0 311C 1 250,-2.0 252,-2.6 -2,-0.4 2,-0.7 -0.670 22.4-174.2 -81.5 109.6 36.9 61.5 13.4 61 91 A N - 0 0 0 -2,-0.7 42,-0.2 250,-0.2 250,-0.1 -0.864 11.6-152.6-112.2 100.8 39.6 64.2 12.7 62 92 A D - 0 0 1 -2,-0.7 2,-2.9 1,-0.1 3,-0.1 -0.575 15.5-135.4 -75.3 121.2 39.0 66.2 9.5 63 93 A P S S- 0 0 0 0, 0.0 6,-0.4 0, 0.0 377,-0.1 -0.322 86.2 -20.5 -70.9 61.1 42.3 67.5 8.0 64 94 A G S S+ 0 0 0 -2,-2.9 4,-0.2 4,-0.3 378,-0.1 0.172 81.6 126.5 106.1 135.0 40.5 70.9 7.5 65 95 A W S S+ 0 0 33 2,-2.5 384,-2.8 -3,-0.1 387,-0.2 -0.251 89.9 7.6-168.7 -81.8 36.8 71.8 7.3 66 96 A I S S+ 0 0 47 382,-0.2 2,-0.3 2,-0.1 385,-0.1 0.614 141.4 26.5 -85.7 -24.5 35.6 74.5 9.6 67 97 A Q S S- 0 0 49 384,-0.0 -2,-2.5 385,-0.0 382,-0.1 -0.872 98.3 -95.9-126.7 165.5 39.2 75.3 10.6 68 98 A T > - 0 0 15 -2,-0.3 4,-2.9 -4,-0.2 -4,-0.3 -0.330 41.6-100.1 -72.7 166.8 42.4 74.7 8.7 69 99 A F H > S+ 0 0 14 -6,-0.4 4,-2.2 1,-0.2 -5,-0.2 0.937 125.5 44.4 -48.0 -51.6 44.5 71.6 9.2 70 100 A E H > S+ 0 0 65 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.864 110.6 53.2 -70.4 -35.5 46.9 73.5 11.4 71 101 A E H > S+ 0 0 65 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.926 113.2 44.1 -64.8 -44.6 44.2 75.3 13.4 72 102 A Y H X>S+ 0 0 12 -4,-2.9 4,-2.5 2,-0.2 5,-2.2 0.885 111.3 54.6 -63.7 -39.3 42.5 71.9 14.2 73 103 A Y H <>S+ 0 0 6 -4,-2.2 5,-2.7 -5,-0.3 6,-0.3 0.951 114.7 39.9 -60.5 -45.0 45.9 70.4 15.0 74 104 A Q H <5S+ 0 0 63 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.877 123.7 37.6 -69.5 -40.6 46.6 73.1 17.6 75 105 A H H <5S- 0 0 100 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.727 137.8 -7.2 -88.2 -26.6 43.2 73.4 19.1 76 106 A D T >X5S+ 0 0 26 -4,-2.5 4,-2.3 -5,-0.2 3,-0.6 0.627 118.2 57.0-134.3 -58.1 42.1 69.7 19.1 77 107 A T H 3> S+ 0 0 75 -3,-0.6 4,-2.8 -6,-0.3 5,-0.3 0.885 109.8 53.4 -76.6 -42.3 45.5 67.1 22.6 80 110 A I H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.931 115.2 41.1 -51.7 -51.3 43.5 64.1 21.4 81 111 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.902 114.3 51.5 -69.7 -37.8 46.7 62.3 20.5 82 112 A S H X S+ 0 0 58 -4,-2.0 4,-2.0 -5,-0.3 -2,-0.2 0.943 115.4 41.8 -62.8 -46.3 48.6 63.4 23.6 83 113 A N H X S+ 0 0 26 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.796 109.7 58.0 -75.1 -27.2 45.8 62.2 25.9 84 114 A A H X S+ 0 0 0 -4,-2.1 4,-2.8 -5,-0.3 5,-0.4 0.922 106.6 50.5 -60.7 -45.2 45.3 59.0 23.9 85 115 A L H X S+ 0 0 4 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.959 115.3 41.5 -57.8 -48.7 48.9 58.3 24.6 86 116 A R H X S+ 0 0 123 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.936 118.1 44.8 -66.9 -48.8 48.5 58.9 28.3 87 117 A H H X S+ 0 0 8 -4,-3.0 4,-1.0 2,-0.2 -1,-0.2 0.864 115.0 46.3 -70.5 -36.7 45.2 57.1 28.7 88 118 A L H < S+ 0 0 0 -4,-2.8 3,-0.5 -5,-0.2 -1,-0.2 0.915 111.5 52.5 -70.6 -41.5 46.0 54.1 26.7 89 119 A H H < S+ 0 0 91 -4,-2.2 -2,-0.2 -5,-0.4 -1,-0.2 0.965 115.4 41.4 -53.1 -50.5 49.3 53.7 28.4 90 120 A D H < S+ 0 0 94 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.579 117.0 48.0 -75.8 -14.4 47.6 53.8 31.8 91 121 A N >< - 0 0 30 -4,-1.0 3,-1.9 -3,-0.5 -1,-0.2 -0.804 67.0-171.9-130.9 84.4 44.6 51.6 30.9 92 122 A P T 3 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.663 83.0 51.5 -59.6 -22.5 45.8 48.5 29.2 93 123 A E T 3 S+ 0 0 148 2,-0.1 253,-0.2 254,-0.0 2,-0.1 0.554 87.6 100.9 -88.3 -11.6 42.3 47.2 28.2 94 124 A M < - 0 0 1 -3,-1.9 2,-0.3 -6,-0.2 -3,-0.1 -0.452 56.7-165.3 -72.4 147.9 41.3 50.5 26.6 95 125 A K - 0 0 27 -40,-0.1 2,-0.3 252,-0.1 33,-0.2 -0.887 12.2-178.0-134.8 161.5 41.5 50.6 22.7 96 126 A F E - j 0 128C 1 31,-2.0 33,-2.5 -2,-0.3 2,-0.3 -0.951 14.6-145.6-162.8 137.4 41.4 53.3 20.0 97 127 A I E -ij 58 129C 3 -40,-1.8 -38,-0.6 -2,-0.3 2,-0.4 -0.861 12.0-162.9-107.5 148.6 41.5 53.4 16.2 98 128 A W E + j 0 130C 1 31,-2.3 33,-2.3 -2,-0.3 35,-0.2 -0.994 15.1 169.0-133.2 132.1 43.2 56.2 14.2 99 129 A A + 0 0 7 -2,-0.4 2,-1.0 -40,-0.3 34,-0.4 0.829 55.3 74.4-110.1 -37.9 42.7 57.0 10.5 100 130 A E > - 0 0 2 1,-0.2 4,-1.4 33,-0.1 3,-0.4 -0.679 47.6-178.9 -96.4 98.5 44.3 60.3 9.4 101 131 A I H > S+ 0 0 0 33,-2.5 4,-3.4 -2,-1.0 5,-0.3 0.770 76.1 71.0 -72.2 -25.0 48.0 59.9 9.1 102 132 A S H > S+ 0 0 3 33,-2.4 4,-1.7 32,-0.3 -1,-0.2 0.938 107.9 39.1 -50.7 -49.1 48.6 63.6 8.1 103 133 A Y H > S+ 0 0 0 -3,-0.4 4,-2.3 32,-0.3 -1,-0.2 0.865 114.6 52.8 -65.5 -42.5 47.7 64.5 11.7 104 134 A F H X S+ 0 0 0 -4,-1.4 4,-3.3 1,-0.2 5,-0.2 0.937 111.0 46.5 -65.2 -41.5 49.5 61.5 13.2 105 135 A A H X S+ 0 0 4 -4,-3.4 4,-2.2 2,-0.2 -1,-0.2 0.900 110.3 52.9 -63.9 -42.7 52.8 62.4 11.4 106 136 A R H < S+ 0 0 65 -4,-1.7 4,-0.5 -5,-0.3 -1,-0.2 0.918 116.1 42.0 -56.0 -45.3 52.4 66.1 12.4 107 137 A F H >X S+ 0 0 11 -4,-2.3 3,-1.4 1,-0.2 4,-0.6 0.952 111.8 52.2 -68.4 -50.8 52.0 65.0 16.1 108 138 A Y H >< S+ 0 0 6 -4,-3.3 3,-1.4 1,-0.3 -2,-0.2 0.881 104.7 54.9 -59.0 -42.0 54.7 62.3 16.1 109 139 A H T 3< S+ 0 0 84 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.713 105.8 54.0 -70.5 -13.6 57.5 64.5 14.8 110 140 A D T <4 S+ 0 0 104 -3,-1.4 -1,-0.3 -4,-0.5 2,-0.2 0.503 90.8 102.7 -92.5 -4.8 56.8 67.0 17.6 111 141 A L S << S- 0 0 25 -3,-1.4 2,-0.0 -4,-0.6 -3,-0.0 -0.518 74.4-118.1 -78.4 142.0 57.2 64.3 20.3 112 142 A G > - 0 0 41 -2,-0.2 4,-2.3 1,-0.1 3,-0.4 -0.338 34.9-104.3 -63.8 160.7 60.2 63.8 22.5 113 143 A E H > S+ 0 0 113 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.869 121.0 57.9 -58.3 -40.8 62.1 60.5 22.2 114 144 A N H > S+ 0 0 105 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.908 111.9 41.1 -54.6 -45.4 60.6 59.3 25.5 115 145 A K H > S+ 0 0 78 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.827 108.5 58.8 -78.2 -33.0 57.1 59.8 24.1 116 146 A K H X S+ 0 0 42 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.929 108.3 48.3 -56.8 -44.4 57.9 58.4 20.6 117 147 A L H X S+ 0 0 97 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.870 110.0 49.8 -65.2 -40.3 58.9 55.1 22.3 118 148 A Q H X S+ 0 0 57 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.890 112.1 50.3 -60.8 -41.1 55.7 55.0 24.5 119 149 A M H X S+ 0 0 0 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.930 107.9 50.9 -66.1 -45.6 53.7 55.6 21.3 120 150 A K H X S+ 0 0 83 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.877 109.9 53.8 -58.4 -32.9 55.5 52.8 19.5 121 151 A S H X S+ 0 0 50 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.869 105.5 48.8 -73.8 -38.1 54.7 50.5 22.4 122 152 A I H <>S+ 0 0 1 -4,-1.8 6,-2.0 2,-0.2 5,-1.3 0.754 115.9 46.2 -75.2 -20.9 50.9 51.1 22.5 123 153 A V H ><5S+ 0 0 11 -4,-1.5 3,-1.5 4,-0.2 -2,-0.2 0.923 111.9 49.8 -77.9 -49.1 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