==== 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 20-JUN-03 1PS3 . COMPND 2 MOLECULE: ALPHA-MANNOSIDASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; . AUTHOR N.SHAH,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) . 36280.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 663 65.4 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 . 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 . 8 0.8 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 . 85 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 191 18.8 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 1 0 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 . 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 0.000 360.0 360.0 360.0 129.9 43.5 37.3 -18.7 2 32 A Q - 0 0 71 1001,-0.1 2,-0.6 1,-0.1 220,-0.0 -0.436 360.0-113.7 -68.1 143.7 39.8 37.3 -17.6 3 33 A D - 0 0 58 1,-0.1 4,-0.4 -2,-0.1 220,-0.2 -0.707 27.1-168.3 -82.3 121.2 37.5 38.8 -20.3 4 34 A V S S+ 0 0 6 -2,-0.6 -1,-0.1 1,-0.1 877,-0.1 0.333 77.6 43.1 -93.8 11.3 36.1 42.1 -19.0 5 35 A V S S+ 0 0 8 869,-0.1 871,-0.5 870,-0.0 -1,-0.1 0.770 108.9 41.1-119.2 -47.1 33.5 42.6 -21.7 6 36 A Q S S+ 0 0 115 869,-0.2 2,-0.7 1,-0.1 -2,-0.1 0.621 96.7 72.5 -87.8 -16.6 31.6 39.4 -22.7 7 37 A D - 0 0 83 -4,-0.4 -1,-0.1 214,-0.2 216,-0.0 -0.872 67.7-148.0-108.8 108.7 30.9 37.6 -19.4 8 38 A V - 0 0 55 -2,-0.7 213,-0.1 1,-0.1 871,-0.1 -0.572 27.0-123.4 -72.3 114.9 28.3 39.2 -17.1 9 39 A P - 0 0 15 0, 0.0 2,-0.8 0, 0.0 214,-0.1 -0.242 14.7-131.9 -58.4 144.8 29.3 38.4 -13.5 10 40 A N + 0 0 136 213,-0.3 2,-0.3 2,-0.0 3,-0.0 -0.879 39.1 165.1-102.3 105.8 26.8 36.5 -11.4 11 41 A V - 0 0 21 -2,-0.8 3,-0.2 1,-0.1 359,-0.1 -0.839 45.7-129.2-120.6 157.7 26.4 38.4 -8.1 12 42 A D S S+ 0 0 99 -2,-0.3 2,-0.4 357,-0.3 358,-0.2 0.865 101.9 26.4 -71.0 -36.4 23.9 38.2 -5.3 13 43 A V E +a 370 0A 8 356,-1.6 358,-2.1 -3,-0.0 2,-0.5 -0.985 63.0 179.5-132.6 121.2 23.5 42.0 -5.3 14 44 A Q E >> -a 371 0A 27 -2,-0.4 4,-2.9 356,-0.2 3,-0.6 -0.975 23.3-145.5-120.6 112.0 24.1 44.2 -8.4 15 45 A M H 3> S+ 0 0 6 356,-2.4 4,-2.4 -2,-0.5 357,-0.1 0.759 95.4 51.7 -51.2 -35.7 23.5 47.8 -7.5 16 46 A L H 3> S+ 0 0 33 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.914 114.6 44.2 -69.2 -39.9 22.1 48.9 -10.8 17 47 A E H <> S+ 0 0 83 -3,-0.6 4,-1.6 2,-0.2 -2,-0.2 0.922 112.9 52.0 -67.7 -43.9 19.6 46.0 -10.8 18 48 A L H X S+ 0 0 4 -4,-2.9 4,-2.5 1,-0.2 3,-0.3 0.925 108.3 51.2 -57.5 -46.0 18.8 46.7 -7.2 19 49 A Y H < S+ 0 0 21 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.826 105.2 56.7 -60.7 -33.2 18.1 50.3 -8.0 20 50 A D H < S+ 0 0 83 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.873 114.5 38.4 -67.0 -37.0 15.8 49.2 -10.8 21 51 A R H < S+ 0 0 138 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.2 0.835 94.0 98.6 -82.2 -38.6 13.6 47.2 -8.3 22 52 A M < - 0 0 7 -4,-2.5 181,-0.0 -5,-0.2 180,-0.0 -0.165 56.1-155.4 -57.0 145.6 13.7 49.4 -5.2 23 53 A S - 0 0 80 179,-0.1 -1,-0.1 2,-0.1 -4,-0.0 0.656 19.5-148.5 -93.4 -21.8 10.7 51.7 -4.5 24 54 A F + 0 0 23 1,-0.2 2,-0.3 178,-0.1 178,-0.1 0.836 28.3 175.5 53.8 38.5 12.7 54.2 -2.4 25 55 A K - 0 0 153 177,-0.1 2,-1.0 1,-0.1 -1,-0.2 -0.596 25.1-147.1 -77.3 133.3 9.7 55.0 -0.2 26 56 A D + 0 0 82 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 -0.627 35.5 159.0-101.9 74.1 10.6 57.4 2.7 27 57 A I - 0 0 99 -2,-1.0 2,-0.8 7,-0.1 -2,-0.0 -0.665 49.8-102.4 -99.6 155.0 8.3 56.2 5.5 28 58 A D - 0 0 118 -2,-0.3 6,-0.2 1,-0.2 5,-0.1 -0.616 33.9-175.4 -74.8 107.3 8.5 56.7 9.2 29 59 A G - 0 0 10 4,-2.5 3,-0.4 -2,-0.8 2,-0.4 0.365 42.2-110.7 -88.2 6.4 9.8 53.4 10.5 30 60 A G S S- 0 0 24 3,-0.3 -1,-0.3 1,-0.2 5,-0.1 -0.829 82.6 -5.0 105.9-143.3 9.5 54.4 14.2 31 61 A V S S+ 0 0 57 -2,-0.4 2,-1.5 1,-0.3 -1,-0.2 0.907 136.6 56.2 -56.9 -40.3 12.5 55.0 16.5 32 62 A W S > S- 0 0 15 -3,-0.4 3,-2.2 1,-0.2 -1,-0.3 -0.752 88.0-165.1 -89.9 88.1 14.6 53.8 13.6 33 63 A K T 3 S+ 0 0 123 -2,-1.5 -4,-2.5 1,-0.3 -3,-0.3 0.769 81.4 34.5 -47.4 -37.2 13.1 56.5 11.4 34 64 A Q T 3 S+ 0 0 26 -6,-0.2 -1,-0.3 -5,-0.1 171,-0.1 0.226 123.7 41.2-107.7 15.1 14.4 55.0 8.2 35 65 A G S < S- 0 0 1 -3,-2.2 2,-0.3 212,-0.1 -8,-0.1 0.049 87.5 -96.5-124.9-127.2 14.1 51.4 9.1 36 66 A W - 0 0 69 -2,-0.1 2,-1.0 169,-0.0 -7,-0.1 -0.928 47.8 -72.0-155.6 171.2 11.5 49.3 11.0 37 67 A N - 0 0 104 -2,-0.3 2,-0.1 -6,-0.1 -7,-0.1 -0.646 54.5-140.6 -77.2 104.8 10.9 48.0 14.5 38 68 A I - 0 0 11 -2,-1.0 2,-0.4 1,-0.0 256,-0.1 -0.421 19.8-168.9 -68.5 135.0 13.6 45.3 14.8 39 69 A K - 0 0 181 -2,-0.1 2,-0.3 255,-0.1 -1,-0.0 -0.958 3.8-173.6-126.1 144.7 12.5 42.2 16.7 40 70 A Y - 0 0 58 -2,-0.4 254,-0.1 256,-0.0 3,-0.1 -0.969 30.9-111.4-138.1 152.9 14.6 39.3 17.9 41 71 A D > - 0 0 93 -2,-0.3 3,-2.1 1,-0.2 4,-0.3 -0.738 21.6-151.6 -82.5 118.4 14.1 35.9 19.5 42 72 A P G > S+ 0 0 90 0, 0.0 3,-1.0 0, 0.0 -1,-0.2 0.835 95.6 61.0 -59.4 -29.3 15.4 36.1 23.0 43 73 A L G 3 S+ 0 0 149 1,-0.2 -2,-0.0 -3,-0.1 0, 0.0 0.455 77.1 93.3 -77.0 0.1 16.1 32.3 22.9 44 74 A K G < S+ 0 0 73 -3,-2.1 2,-0.4 1,-0.0 -1,-0.2 0.844 86.4 49.8 -61.1 -34.1 18.5 33.0 20.0 45 75 A Y < + 0 0 8 -3,-1.0 2,-0.3 -4,-0.3 5,-0.2 -0.859 62.9 144.1-112.5 146.7 21.4 33.2 22.6 46 76 A N B > -F 49 0B 65 3,-1.1 3,-1.9 -2,-0.4 293,-0.0 -0.884 69.0 -69.0-158.5-178.6 22.3 30.9 25.4 47 77 A A T 3 S+ 0 0 74 1,-0.3 3,-0.3 -2,-0.3 -2,-0.0 0.748 134.0 50.5 -55.8 -21.9 25.5 29.7 27.0 48 78 A H T 3 S+ 0 0 177 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.564 119.3 33.5 -93.2 -11.3 26.3 27.8 23.8 49 79 A H B < S+F 46 0B 68 -3,-1.9 -3,-1.1 2,-0.0 -1,-0.3 -0.684 78.2 175.8-146.4 87.1 25.7 30.7 21.5 50 80 A K - 0 0 87 -3,-0.3 2,-0.7 -2,-0.2 292,-0.2 -0.515 33.2-116.4 -91.6 160.4 26.7 34.1 23.0 51 81 A L E -g 342 0C 0 290,-2.4 292,-2.3 -2,-0.2 2,-0.6 -0.870 26.0-151.3 -97.7 118.2 26.8 37.5 21.3 52 82 A K E -gh 343 303C 63 250,-3.0 252,-3.2 -2,-0.7 2,-0.5 -0.817 14.1-164.0 -91.9 121.3 30.4 38.8 21.1 53 83 A V E -gh 344 304C 0 290,-2.7 292,-2.1 -2,-0.6 2,-0.6 -0.928 10.6-166.7-115.0 125.5 30.4 42.6 21.3 54 84 A F E -gh 345 305C 19 250,-2.6 252,-2.9 -2,-0.5 2,-0.7 -0.935 5.2-162.1-111.0 112.9 33.3 44.8 20.3 55 85 A V E -gh 346 306C 0 290,-2.8 292,-2.2 -2,-0.6 40,-0.1 -0.867 11.7-162.3 -94.5 114.8 33.0 48.5 21.3 56 86 A V E - h 0 307C 0 250,-2.0 252,-3.0 -2,-0.7 2,-0.1 -0.853 6.5-147.7-107.5 103.4 35.5 50.4 19.2 57 87 A P E + h 0 308C 0 0, 0.0 40,-1.9 0, 0.0 2,-0.3 -0.451 29.8 164.6 -67.8 135.3 36.5 53.9 20.5 58 88 A H E -ih 97 309C 2 250,-2.1 252,-0.6 38,-0.2 2,-0.4 -0.963 30.7-149.6-149.4 164.9 37.3 56.3 17.7 59 89 A S E - h 0 310C 7 38,-0.6 2,-0.8 -2,-0.3 40,-0.3 -0.934 16.5-142.0-142.0 113.6 37.7 60.0 16.9 60 90 A H E - h 0 311C 2 250,-2.0 252,-2.8 -2,-0.4 2,-0.6 -0.668 22.6-174.9 -81.0 112.1 36.8 61.5 13.6 61 91 A N - 0 0 0 -2,-0.8 42,-0.1 250,-0.2 39,-0.1 -0.916 13.6-149.7-114.1 110.1 39.5 64.2 12.7 62 92 A D - 0 0 0 -2,-0.6 2,-3.2 1,-0.1 3,-0.1 -0.645 13.7-138.8 -79.7 122.1 39.0 66.3 9.6 63 93 A P S S- 0 0 0 0, 0.0 6,-0.3 0, 0.0 377,-0.1 -0.348 86.8 -22.5 -75.9 61.2 42.3 67.4 8.0 64 94 A G S S+ 0 0 0 -2,-3.2 4,-0.2 4,-0.3 378,-0.1 0.148 81.5 127.4 106.6 136.4 40.5 70.7 7.5 65 95 A W S S+ 0 0 33 2,-2.5 384,-2.8 -3,-0.1 387,-0.2 -0.309 90.3 5.5-175.3 -84.6 36.9 71.7 7.2 66 96 A I S S+ 0 0 60 382,-0.2 2,-0.3 2,-0.1 385,-0.1 0.613 141.1 29.5 -93.6 -13.0 35.6 74.5 9.4 67 97 A Q S S- 0 0 48 -5,-0.1 -2,-2.5 384,-0.0 382,-0.1 -0.877 98.1 -98.2-133.6 162.8 39.1 75.2 10.6 68 98 A T > - 0 0 14 -2,-0.3 4,-2.8 -4,-0.2 -4,-0.3 -0.332 38.4-101.5 -79.2 169.6 42.4 74.6 8.8 69 99 A F H > S+ 0 0 14 -6,-0.3 4,-2.2 1,-0.2 -5,-0.2 0.947 125.1 42.9 -53.6 -53.4 44.5 71.5 9.3 70 100 A E H > S+ 0 0 62 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.848 111.9 54.4 -64.8 -35.2 47.0 73.4 11.5 71 101 A E H > S+ 0 0 64 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.943 111.9 43.4 -64.3 -47.8 44.1 75.2 13.4 72 102 A Y H X>S+ 0 0 7 -4,-2.8 4,-2.9 2,-0.2 5,-1.6 0.865 112.2 55.5 -63.7 -38.0 42.5 71.8 14.2 73 103 A Y H <>S+ 0 0 5 -4,-2.2 5,-2.2 -5,-0.3 6,-0.3 0.949 112.8 39.8 -60.9 -49.1 45.8 70.4 15.1 74 104 A Q H <5S+ 0 0 68 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.882 124.0 38.9 -68.0 -39.3 46.7 73.1 17.6 75 105 A H H <5S- 0 0 97 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.803 136.9 -8.7 -83.5 -31.8 43.2 73.3 19.1 76 106 A D T >X5S+ 0 0 25 -4,-2.9 4,-2.2 -5,-0.2 3,-0.8 0.672 117.2 57.7-130.4 -64.0 42.1 69.7 19.2 77 107 A T H 3> S+ 0 0 76 -3,-0.8 4,-2.7 -6,-0.3 5,-0.3 0.895 110.8 51.2 -75.8 -40.3 45.4 67.1 22.6 80 110 A I H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.945 115.3 42.4 -59.9 -48.9 43.4 64.1 21.5 81 111 A L H X S+ 0 0 2 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.862 114.0 51.1 -68.4 -36.2 46.6 62.2 20.5 82 112 A S H X S+ 0 0 34 -4,-1.8 4,-1.8 -5,-0.3 -2,-0.2 0.917 114.8 42.2 -68.7 -42.8 48.5 63.3 23.6 83 113 A N H X S+ 0 0 16 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.779 110.0 58.6 -75.2 -23.4 45.8 62.2 26.0 84 114 A A H X S+ 0 0 3 -4,-1.7 4,-2.5 -5,-0.3 5,-0.4 0.923 106.0 49.3 -68.5 -42.3 45.2 59.0 24.0 85 115 A L H X S+ 0 0 4 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.952 115.0 44.4 -59.9 -49.9 48.9 58.1 24.6 86 116 A R H X S+ 0 0 123 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.946 116.9 43.5 -60.5 -52.6 48.5 58.8 28.3 87 117 A H H X S+ 0 0 16 -4,-2.9 4,-1.0 1,-0.2 -1,-0.2 0.852 114.9 47.0 -66.6 -36.6 45.2 57.0 28.8 88 118 A L H < S+ 0 0 0 -4,-2.5 3,-0.2 -5,-0.2 -1,-0.2 0.884 111.2 53.3 -72.7 -36.3 46.0 53.9 26.7 89 119 A H H < S+ 0 0 90 -4,-2.0 -2,-0.2 -5,-0.4 -1,-0.2 0.948 114.5 41.1 -60.8 -46.6 49.3 53.6 28.5 90 120 A D H < S+ 0 0 107 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.587 117.5 48.2 -79.4 -12.2 47.6 53.7 31.9 91 121 A N >< - 0 0 32 -4,-1.0 3,-1.7 -3,-0.2 -1,-0.2 -0.726 65.0-172.4-133.0 85.3 44.7 51.4 31.0 92 122 A P T 3 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.693 83.5 52.3 -47.8 -30.8 45.8 48.3 29.1 93 123 A E T 3 S+ 0 0 144 2,-0.1 253,-0.2 254,-0.0 2,-0.1 0.679 87.3 97.9 -84.1 -18.5 42.3 47.1 28.2 94 124 A M < - 0 0 3 -3,-1.7 2,-0.3 -7,-0.2 -3,-0.1 -0.427 58.2-163.2 -69.7 145.9 41.2 50.4 26.6 95 125 A K - 0 0 27 -40,-0.1 2,-0.3 252,-0.1 33,-0.2 -0.847 12.0-177.3-127.7 164.8 41.4 50.5 22.8 96 126 A F E - j 0 128C 0 31,-2.0 33,-2.6 -2,-0.3 2,-0.4 -0.939 12.8-148.1-163.1 136.5 41.4 53.3 20.2 97 127 A I E -ij 58 129C 3 -40,-1.9 -38,-0.6 -2,-0.3 2,-0.4 -0.865 10.6-162.1-111.3 147.6 41.5 53.4 16.4 98 128 A W E + j 0 130C 1 31,-2.4 33,-2.4 -2,-0.4 35,-0.2 -0.994 15.4 169.8-131.6 131.7 43.1 56.1 14.2 99 129 A A + 0 0 8 -2,-0.4 2,-1.0 -40,-0.3 34,-0.4 0.854 57.2 73.4-105.2 -48.0 42.6 56.9 10.5 100 130 A E >> - 0 0 2 1,-0.2 4,-1.5 33,-0.1 3,-0.6 -0.621 48.3-179.5 -81.0 99.0 44.2 60.2 9.4 101 131 A I H 3> S+ 0 0 0 33,-2.3 4,-3.2 -2,-1.0 5,-0.3 0.740 75.9 71.5 -70.2 -22.5 48.0 59.7 9.2 102 132 A S H 3> S+ 0 0 3 33,-2.0 4,-1.6 32,-0.3 -1,-0.2 0.927 106.1 40.1 -57.9 -42.5 48.6 63.4 8.2 103 133 A Y H <> S+ 0 0 0 -3,-0.6 4,-2.0 32,-0.3 -2,-0.2 0.896 114.1 52.7 -72.1 -42.0 47.6 64.3 11.8 104 134 A F H X S+ 0 0 1 -4,-1.5 4,-3.0 1,-0.2 -2,-0.2 0.912 110.6 47.2 -62.2 -41.7 49.5 61.4 13.3 105 135 A A H X S+ 0 0 4 -4,-3.2 4,-2.0 2,-0.2 -1,-0.2 0.909 109.9 53.3 -65.0 -42.0 52.7 62.3 11.5 106 136 A R H < S+ 0 0 62 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.869 115.6 41.2 -59.9 -36.9 52.3 66.0 12.5 107 137 A F H >< S+ 0 0 11 -4,-2.0 3,-1.3 2,-0.1 4,-0.2 0.907 110.6 56.2 -77.2 -45.6 52.0 64.9 16.1 108 138 A Y H >< S+ 0 0 11 -4,-3.0 3,-1.8 1,-0.3 -2,-0.2 0.886 101.9 54.3 -56.9 -45.8 54.7 62.2 16.1 109 139 A H T 3< S+ 0 0 83 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.1 0.607 105.2 56.0 -70.0 -7.6 57.5 64.4 14.9 110 140 A D T < S+ 0 0 108 -3,-1.3 -1,-0.3 -4,-0.2 2,-0.2 0.379 90.4 98.7-101.1 2.2 56.8 66.9 17.7 111 141 A L S < S- 0 0 28 -3,-1.8 2,-0.1 -4,-0.2 -3,-0.0 -0.625 74.3-120.4 -91.1 149.4 57.2 64.2 20.4 112 142 A G > - 0 0 48 -2,-0.2 4,-2.3 1,-0.1 3,-0.3 -0.367 35.9-100.9 -79.1 165.9 60.4 63.6 22.4 113 143 A E H > S+ 0 0 113 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.810 121.9 59.6 -58.5 -32.2 62.1 60.2 22.2 114 144 A N H > S+ 0 0 100 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.942 110.6 39.7 -62.6 -47.2 60.5 59.1 25.5 115 145 A K H > S+ 0 0 77 -3,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.866 110.3 58.6 -70.9 -38.2 57.0 59.6 24.1 116 146 A K H X S+ 0 0 43 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.892 107.4 48.7 -58.6 -39.4 57.8 58.1 20.7 117 147 A L H X S+ 0 0 90 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.885 110.4 49.7 -68.5 -39.9 58.8 54.9 22.4 118 148 A Q H X S+ 0 0 53 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.898 112.0 49.8 -65.2 -38.2 55.6 54.9 24.5 119 149 A M H X S+ 0 0 3 -4,-2.7 4,-1.3 1,-0.2 5,-0.2 0.939 108.2 51.2 -65.7 -46.1 53.6 55.4 21.3 120 150 A K H X S+ 0 0 102 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.870 109.8 53.6 -58.6 -35.1 55.4 52.6 19.5 121 151 A S H X S+ 0 0 55 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.880 106.2 47.6 -70.4 -41.4 54.6 50.3 22.4 122 152 A I H <>S+ 0 0 4 -4,-1.8 6,-2.3 2,-0.2 5,-1.4 0.709 115.5 47.5 -74.1 -17.4 50.9 50.8 22.6 123 153 A V H ><5S+ 0 0 12 -4,-1.3 3,-1.6 4,-0.2 -2,-0.2 0.906 111.8 49.6 -82.7 -48.1 50.7 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