==== 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 16-JAN-01 1HXK . COMPND 2 MOLECULE: ALPHA-MANNOSIDASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; . AUTHOR J.M.H.VAN DEN ELSEN,D.A.KUNTZ,D.R.ROSE . 1014 1 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35872.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 664 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 207 20.4 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 . 92 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 194 19.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 0.9 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 . 1 3 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 . 7 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 0.000 360.0 360.0 360.0 137.2 43.4 37.3 -18.7 2 32 A Q - 0 0 68 1001,-0.1 2,-0.8 1,-0.1 220,-0.0 -0.412 360.0-116.2 -71.0 147.5 39.8 37.6 -17.8 3 33 A D > - 0 0 54 1,-0.1 4,-0.6 -2,-0.1 220,-0.2 -0.785 29.3-173.3 -86.7 111.1 37.4 38.9 -20.5 4 34 A V T 4 S+ 0 0 4 -2,-0.8 -1,-0.1 1,-0.1 877,-0.1 0.360 76.5 44.5 -88.5 6.8 36.1 42.1 -19.0 5 35 A V T 4 S+ 0 0 8 869,-0.1 871,-0.5 870,-0.1 -1,-0.1 0.793 112.0 36.9-115.2 -46.3 33.6 42.7 -21.8 6 36 A Q T 4 S+ 0 0 117 869,-0.2 2,-0.7 1,-0.1 -2,-0.1 0.494 98.5 74.7 -94.2 -6.2 31.7 39.5 -22.8 7 37 A D < - 0 0 81 -4,-0.6 -1,-0.1 214,-0.1 216,-0.1 -0.878 67.7-150.4-114.3 102.8 31.1 37.7 -19.5 8 38 A V - 0 0 56 -2,-0.7 213,-0.1 1,-0.1 871,-0.1 -0.560 27.4-120.5 -70.4 116.3 28.4 39.2 -17.2 9 39 A P - 0 0 13 0, 0.0 2,-0.8 0, 0.0 214,-0.1 -0.241 15.3-132.2 -58.7 142.2 29.4 38.5 -13.6 10 40 A N + 0 0 144 213,-0.3 2,-0.3 2,-0.0 3,-0.0 -0.865 40.4 162.6 -99.0 106.8 27.0 36.5 -11.6 11 41 A V - 0 0 21 -2,-0.8 3,-0.2 1,-0.1 359,-0.1 -0.887 46.6-129.8-124.9 156.5 26.6 38.3 -8.2 12 42 A D S S+ 0 0 106 357,-0.4 2,-0.4 -2,-0.3 358,-0.2 0.859 101.1 27.5 -70.6 -36.2 24.0 38.1 -5.5 13 43 A V E +a 370 0A 8 356,-1.8 358,-2.0 -3,-0.0 2,-0.5 -0.987 63.1 179.3-131.8 121.2 23.5 41.9 -5.4 14 44 A Q E > -a 371 0A 27 -2,-0.4 4,-2.7 356,-0.2 3,-0.3 -0.979 22.7-146.1-121.1 114.4 24.2 44.1 -8.5 15 45 A M H > S+ 0 0 5 356,-2.4 4,-2.4 -2,-0.5 357,-0.1 0.771 95.4 51.4 -55.3 -33.4 23.5 47.7 -7.6 16 46 A L H > S+ 0 0 33 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.924 114.2 45.7 -69.6 -41.1 22.1 48.9 -10.9 17 47 A E H > S+ 0 0 87 -3,-0.3 4,-1.4 2,-0.2 -2,-0.2 0.911 112.7 50.6 -65.8 -41.8 19.7 45.9 -10.9 18 48 A L H X S+ 0 0 6 -4,-2.7 4,-2.8 1,-0.2 3,-0.4 0.928 108.1 52.7 -61.9 -44.8 18.8 46.7 -7.3 19 49 A Y H < S+ 0 0 20 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.858 104.8 56.1 -58.9 -36.0 18.1 50.3 -8.1 20 50 A D H < S+ 0 0 81 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.865 116.0 36.5 -65.6 -35.9 15.8 49.3 -10.9 21 51 A R H < S+ 0 0 137 -4,-1.4 -2,-0.2 -3,-0.4 -1,-0.2 0.810 94.6 96.7 -87.6 -34.6 13.6 47.2 -8.5 22 52 A M < - 0 0 8 -4,-2.8 181,-0.0 -5,-0.2 180,-0.0 -0.222 57.8-154.2 -58.8 146.8 13.7 49.3 -5.3 23 53 A S - 0 0 81 179,-0.1 -1,-0.1 2,-0.1 -4,-0.0 0.585 18.1-147.4 -97.6 -14.2 10.8 51.7 -4.6 24 54 A F + 0 0 22 1,-0.2 2,-0.2 178,-0.1 178,-0.1 0.766 29.3 174.6 51.7 31.9 12.8 54.2 -2.5 25 55 A K - 0 0 154 1,-0.1 2,-1.0 177,-0.1 -1,-0.2 -0.510 26.2-145.3 -71.4 133.3 9.7 54.9 -0.4 26 56 A D + 0 0 83 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 -0.670 35.9 160.6-100.5 78.1 10.6 57.2 2.5 27 57 A I - 0 0 99 -2,-1.0 2,-0.7 7,-0.1 -2,-0.0 -0.702 48.9-101.8-102.0 153.4 8.3 56.0 5.3 28 58 A D - 0 0 118 -2,-0.3 6,-0.2 1,-0.2 5,-0.1 -0.600 33.7-174.1 -72.6 109.6 8.5 56.5 9.0 29 59 A G - 0 0 12 4,-2.5 3,-0.4 -2,-0.7 2,-0.4 0.354 41.8-110.4 -89.0 7.1 9.9 53.2 10.4 30 60 A G S S- 0 0 24 3,-0.3 -1,-0.3 1,-0.2 5,-0.1 -0.817 82.8 -7.1 104.5-144.3 9.5 54.1 14.0 31 61 A V S S+ 0 0 55 -2,-0.4 2,-1.5 1,-0.3 -1,-0.2 0.881 137.1 57.6 -58.0 -36.6 12.4 54.8 16.4 32 62 A W S > S- 0 0 15 -3,-0.4 3,-2.3 1,-0.2 -1,-0.3 -0.757 87.7-165.0 -92.1 86.9 14.6 53.6 13.5 33 63 A K T 3 S+ 0 0 120 -2,-1.5 -4,-2.5 1,-0.3 -3,-0.3 0.764 80.7 35.4 -45.9 -38.0 13.1 56.3 11.2 34 64 A Q T 3 S+ 0 0 24 -6,-0.2 -1,-0.3 -5,-0.1 171,-0.1 0.177 123.5 38.4-107.8 19.3 14.4 54.8 8.0 35 65 A G S < S- 0 0 1 -3,-2.3 2,-0.3 212,-0.1 -8,-0.1 -0.002 88.2 -93.9-129.5-125.3 14.0 51.2 8.9 36 66 A W - 0 0 71 -2,-0.1 2,-1.0 169,-0.0 -7,-0.1 -0.928 48.3 -71.1-155.9 172.2 11.4 49.1 10.8 37 67 A N - 0 0 105 -2,-0.3 2,-0.2 -6,-0.1 -7,-0.1 -0.634 55.0-139.4 -76.4 103.7 10.9 47.9 14.4 38 68 A I - 0 0 11 -2,-1.0 2,-0.4 1,-0.0 257,-0.1 -0.422 20.2-168.2 -68.1 132.6 13.5 45.1 14.6 39 69 A K - 0 0 179 -2,-0.2 2,-0.3 255,-0.1 -1,-0.0 -0.921 5.2-176.8-121.2 146.9 12.4 42.0 16.4 40 70 A Y - 0 0 64 -2,-0.4 254,-0.1 256,-0.0 3,-0.0 -0.980 31.9-112.5-143.5 155.6 14.6 39.1 17.6 41 71 A D > - 0 0 92 -2,-0.3 3,-2.6 1,-0.2 4,-0.4 -0.785 20.5-152.5 -88.2 113.0 14.2 35.7 19.3 42 72 A P G > S+ 0 0 85 0, 0.0 3,-0.6 0, 0.0 -1,-0.2 0.781 95.6 61.6 -56.3 -24.2 15.7 36.0 22.8 43 73 A L G 3 S+ 0 0 147 1,-0.2 -2,-0.0 -3,-0.0 0, 0.0 0.442 77.6 90.1 -82.3 0.3 16.5 32.3 22.6 44 74 A K G < S+ 0 0 70 -3,-2.6 2,-0.4 1,-0.1 -1,-0.2 0.892 89.0 46.7 -63.2 -39.9 18.8 32.8 19.6 45 75 A Y S < S+ 0 0 7 -3,-0.6 2,-0.2 -4,-0.4 5,-0.2 -0.855 72.2 148.1-107.0 140.8 21.8 33.3 21.9 46 76 A N B > -F 49 0B 57 3,-2.0 3,-1.5 -2,-0.4 293,-0.0 -0.854 63.4 -66.4-152.1-174.0 22.5 30.9 24.8 47 77 A A T 3 S+ 0 0 68 1,-0.3 3,-0.3 -2,-0.2 -2,-0.0 0.803 134.1 43.6 -53.6 -32.1 25.4 29.5 26.8 48 78 A H T 3 S+ 0 0 179 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.552 124.4 34.6 -91.8 -8.9 26.5 27.5 23.7 49 79 A H B < S+F 46 0B 62 -3,-1.5 -3,-2.0 2,-0.0 -1,-0.3 -0.703 77.2 177.4-148.8 89.1 26.1 30.4 21.3 50 80 A K - 0 0 94 -3,-0.3 2,-0.6 -5,-0.2 292,-0.2 -0.559 33.3-114.3 -94.3 158.3 26.9 33.9 22.8 51 81 A L E -g 342 0C 0 290,-2.5 292,-2.3 -2,-0.2 2,-0.6 -0.825 27.8-150.4 -92.2 118.7 26.8 37.3 21.1 52 82 A K E -gh 343 303C 67 250,-3.3 252,-3.5 -2,-0.6 2,-0.5 -0.833 14.2-164.2 -93.3 119.4 30.4 38.7 21.0 53 83 A V E -gh 344 304C 0 290,-2.4 292,-2.1 -2,-0.6 2,-0.6 -0.918 9.8-165.7-112.6 125.4 30.3 42.5 21.1 54 84 A F E -gh 345 305C 21 250,-3.0 252,-2.9 -2,-0.5 2,-0.7 -0.933 5.3-160.8-110.6 113.2 33.2 44.7 20.2 55 85 A V E -gh 346 306C 0 290,-2.8 292,-2.4 -2,-0.6 40,-0.1 -0.859 12.6-161.8 -93.4 115.0 32.9 48.3 21.3 56 86 A V E - h 0 307C 0 250,-2.1 252,-2.8 -2,-0.7 292,-0.1 -0.843 5.9-147.9-107.8 101.9 35.4 50.2 19.1 57 87 A P E + h 0 308C 0 0, 0.0 40,-1.9 0, 0.0 2,-0.3 -0.407 30.0 162.0 -66.3 136.0 36.4 53.7 20.4 58 88 A H E -ih 97 309C 2 250,-2.0 252,-0.6 38,-0.2 2,-0.4 -0.965 31.5-148.2-151.6 166.2 37.1 56.2 17.6 59 89 A S E - h 0 310C 8 38,-0.5 2,-0.8 -2,-0.3 40,-0.3 -0.946 17.4-139.7-142.8 115.4 37.5 59.9 16.9 60 90 A H E - h 0 311C 2 250,-2.1 252,-2.8 -2,-0.4 2,-0.6 -0.674 24.4-175.1 -80.6 109.5 36.6 61.4 13.5 61 91 A N - 0 0 0 -2,-0.8 42,-0.1 250,-0.2 39,-0.1 -0.898 11.8-153.3-111.8 107.4 39.3 64.0 12.7 62 92 A D - 0 0 2 -2,-0.6 2,-3.1 1,-0.1 3,-0.1 -0.668 15.6-136.9 -81.5 122.1 38.8 66.0 9.6 63 93 A P S S- 0 0 0 0, 0.0 6,-0.3 0, 0.0 377,-0.1 -0.353 87.0 -20.8 -74.5 62.3 42.1 67.3 8.1 64 94 A G S S+ 0 0 0 -2,-3.1 4,-0.2 4,-0.3 378,-0.1 0.181 80.0 130.4 105.1 134.6 40.3 70.7 7.5 65 95 A W S S+ 0 0 32 2,-2.5 384,-2.9 -3,-0.1 387,-0.2 -0.260 90.7 2.2-170.7 -85.8 36.6 71.6 7.4 66 96 A I S S+ 0 0 59 382,-0.2 2,-0.3 2,-0.1 385,-0.1 0.558 141.8 32.6 -94.3 -10.2 35.4 74.4 9.5 67 97 A Q S S- 0 0 43 384,-0.0 -2,-2.5 385,-0.0 382,-0.1 -0.907 97.6-100.5-134.4 160.5 38.9 75.0 10.7 68 98 A T > - 0 0 15 -2,-0.3 4,-2.7 -4,-0.2 -4,-0.3 -0.289 38.8-100.5 -77.4 170.1 42.2 74.4 8.8 69 99 A F H > S+ 0 0 15 -6,-0.3 4,-2.4 1,-0.2 -5,-0.2 0.949 124.8 43.7 -53.4 -53.5 44.3 71.4 9.3 70 100 A E H > S+ 0 0 61 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.868 111.4 53.8 -64.0 -37.8 46.7 73.2 11.6 71 101 A E H > S+ 0 0 67 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.943 112.0 44.5 -62.8 -47.1 43.9 75.0 13.5 72 102 A Y H X>S+ 0 0 5 -4,-2.7 4,-2.9 1,-0.2 5,-1.8 0.891 111.7 54.4 -63.3 -39.5 42.3 71.6 14.3 73 103 A Y H <>S+ 0 0 7 -4,-2.4 5,-2.4 -5,-0.3 6,-0.3 0.942 114.4 39.7 -60.0 -47.1 45.7 70.1 15.2 74 104 A Q H <5S+ 0 0 65 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.888 124.4 37.2 -69.6 -41.0 46.4 72.9 17.7 75 105 A H H <5S- 0 0 99 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.814 137.7 -7.3 -83.5 -33.0 42.9 73.2 19.1 76 106 A D T >X5S+ 0 0 24 -4,-2.9 4,-2.1 -5,-0.3 3,-0.8 0.694 118.1 56.4-128.6 -62.3 41.8 69.5 19.1 77 107 A T H 3> S+ 0 0 74 -3,-0.8 4,-2.8 -6,-0.3 5,-0.3 0.881 109.9 53.3 -76.2 -39.3 45.2 66.9 22.6 80 110 A I H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.941 114.9 40.9 -60.0 -47.6 43.2 63.9 21.4 81 111 A L H X S+ 0 0 1 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.863 114.6 51.6 -71.2 -34.8 46.4 62.0 20.5 82 112 A S H X S+ 0 0 31 -4,-1.8 4,-1.7 -5,-0.3 -2,-0.2 0.916 114.9 42.0 -68.1 -42.5 48.3 63.1 23.6 83 113 A N H X S+ 0 0 13 -4,-2.8 4,-2.9 2,-0.2 5,-0.3 0.794 110.3 57.4 -76.0 -25.6 45.5 62.0 25.9 84 114 A A H X S+ 0 0 3 -4,-1.7 4,-2.7 -5,-0.3 5,-0.4 0.926 106.7 50.3 -67.3 -42.7 45.0 58.8 23.9 85 115 A L H X S+ 0 0 4 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.932 115.2 42.6 -59.6 -46.9 48.6 57.9 24.5 86 116 A R H X S+ 0 0 120 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.955 117.6 43.9 -66.1 -51.8 48.3 58.6 28.3 87 117 A H H X S+ 0 0 19 -4,-2.9 4,-1.3 2,-0.2 7,-0.2 0.866 115.9 46.1 -65.0 -38.7 44.9 56.8 28.8 88 118 A L H < S+ 0 0 0 -4,-2.7 3,-0.2 -5,-0.3 -1,-0.2 0.908 111.9 53.0 -70.2 -39.9 45.7 53.8 26.7 89 119 A H H < S+ 0 0 86 -4,-1.8 -2,-0.2 -5,-0.4 -1,-0.2 0.938 115.4 40.6 -58.5 -45.9 49.1 53.5 28.4 90 120 A D H < S+ 0 0 107 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.633 116.6 49.4 -79.6 -16.2 47.4 53.5 31.8 91 121 A N >< - 0 0 30 -4,-1.3 3,-2.0 -3,-0.2 -1,-0.2 -0.766 66.5-169.8-128.3 87.3 44.4 51.3 30.9 92 122 A P T 3 S+ 0 0 75 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.672 84.3 50.5 -46.9 -29.5 45.6 48.1 29.2 93 123 A E T 3 S+ 0 0 138 2,-0.1 253,-0.2 254,-0.0 2,-0.1 0.607 86.8 100.5 -90.5 -12.1 42.1 46.9 28.1 94 124 A M < - 0 0 2 -3,-2.0 2,-0.3 -6,-0.2 -3,-0.1 -0.457 56.2-164.0 -72.9 147.6 41.0 50.2 26.5 95 125 A K - 0 0 30 -40,-0.1 2,-0.3 -2,-0.1 33,-0.2 -0.849 12.6-179.0-129.9 165.5 41.2 50.4 22.7 96 126 A F E - j 0 128C 0 31,-2.0 33,-2.6 -2,-0.3 2,-0.3 -0.931 13.8-147.4-165.5 136.3 41.2 53.1 20.1 97 127 A I E -ij 58 129C 3 -40,-1.9 -38,-0.5 -2,-0.3 2,-0.4 -0.865 11.5-163.4-111.6 148.5 41.4 53.2 16.3 98 128 A W E + j 0 130C 1 31,-2.3 33,-2.5 -2,-0.3 35,-0.2 -0.996 15.4 170.1-133.8 133.5 43.0 56.0 14.2 99 129 A A + 0 0 7 -2,-0.4 2,-1.0 -40,-0.3 34,-0.4 0.826 56.2 75.9-108.9 -42.8 42.5 56.7 10.5 100 130 A E > + 0 0 2 1,-0.2 4,-1.6 33,-0.1 3,-0.4 -0.636 46.6 179.8 -83.1 100.8 44.1 60.1 9.4 101 131 A I H > S+ 0 0 0 33,-2.4 4,-3.2 -2,-1.0 5,-0.3 0.762 76.0 71.0 -71.3 -24.0 47.9 59.7 9.2 102 132 A S H > S+ 0 0 3 33,-2.2 4,-1.6 32,-0.3 -1,-0.2 0.946 107.2 38.9 -55.2 -46.5 48.4 63.3 8.2 103 133 A Y H > S+ 0 0 0 -3,-0.4 4,-2.0 32,-0.3 -1,-0.2 0.891 114.9 52.9 -69.7 -42.0 47.4 64.2 11.7 104 134 A F H X S+ 0 0 0 -4,-1.6 4,-3.2 1,-0.2 -2,-0.2 0.901 110.0 46.8 -63.8 -40.7 49.3 61.3 13.3 105 135 A A H X S+ 0 0 2 -4,-3.2 4,-2.1 2,-0.2 -1,-0.2 0.900 110.1 54.2 -66.8 -39.8 52.6 62.1 11.6 106 136 A R H < S+ 0 0 64 -4,-1.6 4,-0.3 -5,-0.3 -1,-0.2 0.895 115.9 40.2 -58.9 -40.6 52.2 65.8 12.5 107 137 A F H >X S+ 0 0 9 -4,-2.0 3,-1.6 2,-0.2 4,-0.5 0.953 112.3 53.2 -72.7 -53.9 51.8 64.7 16.2 108 138 A Y H >< S+ 0 0 10 -4,-3.2 3,-1.5 1,-0.3 -2,-0.2 0.862 103.9 55.1 -52.2 -46.3 54.4 62.0 16.3 109 139 A H T 3< S+ 0 0 82 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.639 106.6 53.1 -66.9 -12.9 57.2 64.1 15.0 110 140 A D T <4 S+ 0 0 106 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.502 91.0 100.9 -96.9 -7.4 56.6 66.6 17.8 111 141 A L S << S- 0 0 28 -3,-1.5 2,-0.1 -4,-0.5 -3,-0.0 -0.487 75.9-117.0 -79.9 147.7 56.8 63.9 20.4 112 142 A G > - 0 0 46 -2,-0.2 4,-2.3 1,-0.1 3,-0.2 -0.366 34.7-101.8 -75.7 164.0 59.9 63.4 22.6 113 143 A E H > S+ 0 0 119 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.852 121.1 55.8 -56.1 -39.3 61.7 60.1 22.3 114 144 A N H > S+ 0 0 101 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.934 112.0 42.4 -60.2 -46.5 60.2 58.8 25.5 115 145 A K H > S+ 0 0 77 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.838 109.3 57.8 -69.9 -34.8 56.7 59.4 24.3 116 146 A K H X S+ 0 0 43 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.927 108.5 47.7 -60.4 -43.6 57.5 58.0 20.8 117 147 A L H X S+ 0 0 95 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.891 111.1 49.7 -64.5 -41.3 58.5 54.8 22.5 118 148 A Q H X S+ 0 0 47 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.903 111.8 50.0 -64.5 -39.0 55.4 54.7 24.6 119 149 A M H X S+ 0 0 3 -4,-2.7 4,-1.2 1,-0.2 -2,-0.2 0.923 109.1 50.1 -65.5 -44.2 53.3 55.3 21.4 120 150 A K H X S+ 0 0 91 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.868 109.1 54.9 -62.6 -33.4 55.0 52.5 19.5 121 151 A S H X S+ 0 0 42 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.914 106.3 47.4 -68.4 -43.6 54.4 50.2 22.4 122 152 A I H <>S+ 0 0 3 -4,-1.9 6,-2.1 2,-0.2 5,-1.6 0.718 115.6 47.6 -71.9 -17.4 50.6 50.7 22.5 123 153 A V H ><5S+ 0 0 12 -4,-1.2 3,-1.3 4,-0.2 -2,-0.2 0.892 112.0 48.5 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