==== 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 02-SEP-03 1QWN . COMPND 2 MOLECULE: ALPHA-MANNOSIDASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; . AUTHOR S.NUMAO,D.A.KUNTZ,S.G.WITHERS,D.R.ROSE . 1014 1 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36047.0 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 . 48 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 210 20.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 88 8.7 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 . 194 19.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.0 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 0 1 1 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 6 3 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 0 124 0, 0.0 2,-0.1 0, 0.0 1000,-0.0 0.000 360.0 360.0 360.0 141.9 43.5 37.5 -18.8 2 32 A Q - 0 0 58 1001,-0.1 2,-0.7 1,-0.1 220,-0.0 -0.385 360.0-116.2 -68.4 146.7 39.8 37.7 -17.8 3 33 A D > - 0 0 55 1,-0.1 4,-0.5 -2,-0.1 220,-0.2 -0.772 28.2-171.5 -87.8 115.5 37.5 39.0 -20.5 4 34 A V T 4 S+ 0 0 4 -2,-0.7 -1,-0.1 1,-0.1 877,-0.1 0.427 77.3 44.0 -90.7 1.9 36.1 42.3 -19.1 5 35 A V T 4 S+ 0 0 17 869,-0.1 871,-0.5 870,-0.1 -1,-0.1 0.800 112.3 37.3-108.8 -43.5 33.6 42.8 -21.9 6 36 A Q T 4 S+ 0 0 128 869,-0.2 2,-0.6 1,-0.1 -2,-0.1 0.407 97.4 74.4-100.2 -5.4 31.8 39.6 -22.8 7 37 A D < - 0 0 73 -4,-0.5 -1,-0.1 214,-0.1 216,-0.1 -0.883 67.3-151.4-113.8 101.4 31.2 37.8 -19.5 8 38 A V - 0 0 60 -2,-0.6 213,-0.1 1,-0.1 871,-0.1 -0.551 27.0-120.9 -71.7 120.6 28.5 39.4 -17.3 9 39 A P - 0 0 14 0, 0.0 2,-0.8 0, 0.0 214,-0.1 -0.267 12.7-134.0 -63.6 143.2 29.4 38.6 -13.7 10 40 A N + 0 0 142 213,-0.4 2,-0.3 2,-0.0 3,-0.0 -0.874 40.2 161.3 -98.0 110.2 26.9 36.7 -11.6 11 41 A V - 0 0 20 -2,-0.8 3,-0.2 1,-0.1 359,-0.1 -0.911 46.9-127.5-126.3 157.1 26.6 38.5 -8.2 12 42 A D S S+ 0 0 103 -2,-0.3 2,-0.4 357,-0.3 358,-0.2 0.859 101.5 27.5 -70.4 -35.3 24.0 38.4 -5.5 13 43 A V E +a 370 0A 9 356,-1.8 358,-2.2 -3,-0.0 2,-0.5 -0.985 63.2 179.5-130.8 118.6 23.6 42.2 -5.5 14 44 A Q E > -a 371 0A 28 -2,-0.4 4,-2.7 356,-0.2 3,-0.4 -0.987 23.9-144.9-118.5 117.9 24.2 44.3 -8.6 15 45 A M H > S+ 0 0 5 356,-2.6 4,-2.4 -2,-0.5 357,-0.1 0.776 95.5 52.2 -61.6 -32.7 23.5 47.9 -7.7 16 46 A L H > S+ 0 0 32 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.922 113.6 45.8 -67.0 -39.1 22.1 49.1 -11.0 17 47 A E H > S+ 0 0 88 -3,-0.4 4,-1.7 2,-0.2 -2,-0.2 0.923 112.3 51.4 -68.8 -41.7 19.7 46.1 -11.0 18 48 A L H X S+ 0 0 6 -4,-2.7 4,-2.6 1,-0.2 3,-0.2 0.946 108.7 51.1 -60.0 -45.7 18.8 46.9 -7.3 19 49 A Y H < S+ 0 0 20 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.877 106.0 55.0 -58.4 -36.7 18.1 50.5 -8.2 20 50 A D H < S+ 0 0 83 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.891 116.3 37.9 -66.3 -36.7 15.8 49.5 -11.1 21 51 A R H < S+ 0 0 135 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.789 95.5 94.1 -85.6 -34.5 13.7 47.3 -8.6 22 52 A M < - 0 0 9 -4,-2.6 181,-0.0 -5,-0.2 180,-0.0 -0.331 57.8-154.8 -64.3 147.5 13.7 49.5 -5.5 23 53 A S - 0 0 82 179,-0.1 -1,-0.1 2,-0.1 -4,-0.0 0.622 18.9-147.0 -95.5 -19.0 10.8 51.9 -4.8 24 54 A F + 0 0 23 1,-0.2 2,-0.2 178,-0.1 178,-0.1 0.788 29.0 175.0 59.1 31.7 12.8 54.4 -2.6 25 55 A K - 0 0 157 1,-0.1 2,-1.0 177,-0.1 -1,-0.2 -0.505 26.3-144.3 -71.6 136.0 9.8 55.2 -0.4 26 56 A D + 0 0 82 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 -0.618 35.8 162.1-100.4 75.6 10.6 57.5 2.5 27 57 A I - 0 0 99 -2,-1.0 2,-0.7 7,-0.1 -2,-0.0 -0.659 47.7-103.3-102.1 151.6 8.3 56.2 5.2 28 58 A D - 0 0 120 -2,-0.3 6,-0.2 1,-0.1 5,-0.1 -0.606 32.9-173.2 -69.9 109.6 8.5 56.8 8.9 29 59 A G - 0 0 11 4,-2.5 3,-0.4 -2,-0.7 2,-0.3 0.371 40.9-111.2 -88.6 5.2 9.9 53.5 10.3 30 60 A G S S- 0 0 26 3,-0.3 -1,-0.3 1,-0.2 5,-0.1 -0.799 82.8 -8.3 102.8-146.4 9.5 54.5 14.0 31 61 A V S S+ 0 0 61 -2,-0.3 2,-1.4 1,-0.2 -1,-0.2 0.893 136.9 58.0 -57.7 -37.7 12.4 55.1 16.3 32 62 A W S > S- 0 0 14 -3,-0.4 3,-1.8 1,-0.2 -1,-0.2 -0.781 88.4-164.7 -88.2 96.3 14.6 53.8 13.4 33 63 A K T 3 S+ 0 0 123 -2,-1.4 -4,-2.5 1,-0.3 -3,-0.3 0.809 80.0 33.9 -60.8 -32.7 13.2 56.5 11.2 34 64 A Q T 3 S+ 0 0 27 -6,-0.2 -1,-0.3 -5,-0.1 171,-0.1 0.220 123.7 40.6-108.6 17.2 14.4 55.1 7.9 35 65 A G S < S- 0 0 1 -3,-1.8 2,-0.3 212,-0.1 -8,-0.1 0.069 88.4 -93.3-125.9-125.2 14.1 51.4 8.8 36 66 A W - 0 0 74 -2,-0.1 2,-1.0 169,-0.0 -7,-0.1 -0.890 47.9 -73.4-155.0 171.5 11.4 49.3 10.8 37 67 A N - 0 0 115 -2,-0.3 2,-0.2 -6,-0.1 -7,-0.1 -0.694 55.8-139.6 -76.9 104.3 10.9 48.1 14.4 38 68 A I - 0 0 13 -2,-1.0 2,-0.3 1,-0.0 256,-0.1 -0.460 19.1-165.8 -72.5 138.0 13.4 45.4 14.6 39 69 A K - 0 0 177 -2,-0.2 2,-0.3 255,-0.1 -1,-0.0 -0.905 5.2-174.3-120.9 147.6 12.4 42.2 16.4 40 70 A Y - 0 0 66 -2,-0.3 254,-0.1 256,-0.0 3,-0.0 -0.977 30.3-114.7-140.9 156.8 14.6 39.4 17.7 41 71 A D > - 0 0 96 -2,-0.3 3,-2.5 1,-0.2 4,-0.4 -0.806 20.4-149.7 -88.0 113.2 14.1 36.0 19.3 42 72 A P G > S+ 0 0 90 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.799 95.5 62.9 -56.6 -22.9 15.5 36.2 22.8 43 73 A L G 3 S+ 0 0 140 1,-0.2 -2,-0.0 -3,-0.0 0, 0.0 0.527 76.8 89.1 -80.2 -2.4 16.4 32.5 22.5 44 74 A K G < S+ 0 0 66 -3,-2.5 2,-0.4 2,-0.0 -1,-0.2 0.879 87.5 49.5 -63.1 -38.7 18.8 33.1 19.6 45 75 A Y S < S+ 0 0 10 -3,-0.7 2,-0.2 -4,-0.4 5,-0.2 -0.858 71.0 150.2-103.5 141.5 21.7 33.6 22.0 46 76 A N B > -F 49 0B 67 3,-1.7 3,-1.6 -2,-0.4 293,-0.0 -0.872 62.8 -69.8-152.4-178.1 22.4 31.1 24.8 47 77 A A T 3 S+ 0 0 74 1,-0.3 3,-0.3 -2,-0.2 -2,-0.0 0.785 133.0 44.1 -57.5 -24.8 25.4 29.7 26.8 48 78 A H T 3 S+ 0 0 186 1,-0.3 -1,-0.3 0, 0.0 2,-0.3 0.582 122.2 37.3 -96.3 -6.2 26.7 27.9 23.8 49 79 A H B < S+F 46 0B 64 -3,-1.6 -3,-1.7 2,-0.0 -1,-0.3 -0.725 77.3 177.0-145.3 87.3 26.1 30.7 21.4 50 80 A K - 0 0 82 -3,-0.3 2,-0.6 -2,-0.3 292,-0.2 -0.542 34.3-115.1 -93.1 156.5 26.9 34.1 22.8 51 81 A L E -g 342 0C 0 290,-2.6 292,-2.4 -2,-0.2 2,-0.6 -0.834 28.7-152.2 -87.5 120.6 26.8 37.5 21.1 52 82 A K E -gh 343 303C 67 250,-3.1 252,-3.2 -2,-0.6 2,-0.5 -0.880 13.3-163.8 -96.8 122.4 30.4 38.9 21.1 53 83 A V E -gh 344 304C 0 290,-2.5 292,-2.3 -2,-0.6 2,-0.6 -0.934 9.5-163.7-116.2 125.8 30.3 42.7 21.1 54 84 A F E -gh 345 305C 12 250,-2.9 252,-2.9 -2,-0.5 2,-0.7 -0.928 4.9-160.4-109.4 112.5 33.3 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 -0.861 12.5-162.7 -92.6 117.0 33.0 48.6 21.3 56 86 A V E - h 0 307C 0 250,-2.5 252,-2.7 -2,-0.7 2,-0.1 -0.856 6.3-148.0-112.0 100.8 35.5 50.5 19.1 57 87 A P E + h 0 308C 0 0, 0.0 40,-1.9 0, 0.0 2,-0.3 -0.434 29.7 162.3 -68.7 139.6 36.4 54.0 20.4 58 88 A H E -ih 97 309C 2 250,-2.0 252,-0.6 38,-0.2 2,-0.3 -0.955 31.6-148.7-153.4 165.7 37.2 56.4 17.6 59 89 A S E - h 0 310C 6 38,-0.5 2,-0.8 -2,-0.3 40,-0.3 -0.924 17.4-140.8-144.1 114.1 37.6 60.1 16.9 60 90 A H E - h 0 311C 1 250,-2.0 252,-2.7 -2,-0.3 2,-0.6 -0.682 23.9-173.0 -82.3 113.0 36.8 61.6 13.4 61 91 A N - 0 0 0 -2,-0.8 42,-0.1 250,-0.2 -2,-0.0 -0.925 12.3-150.6-112.3 118.5 39.4 64.2 12.7 62 92 A D - 0 0 0 -2,-0.6 2,-2.5 1,-0.1 3,-0.1 -0.808 12.7-140.7 -88.9 121.9 39.0 66.4 9.6 63 93 A P S S- 0 0 0 0, 0.0 6,-0.3 0, 0.0 377,-0.1 -0.429 88.2 -19.5 -78.0 68.2 42.3 67.6 8.0 64 94 A G S S+ 0 0 0 -2,-2.5 4,-0.2 4,-0.4 378,-0.1 0.207 83.9 127.2 98.4 134.3 40.6 71.0 7.4 65 95 A W S S+ 0 0 34 2,-2.3 384,-2.7 -3,-0.1 387,-0.2 -0.356 91.1 2.2-171.2 -84.3 36.8 71.7 7.2 66 96 A I S S+ 0 0 40 382,-0.2 2,-0.3 2,-0.1 385,-0.1 0.589 142.1 29.5 -93.8 -16.3 35.5 74.5 9.4 67 97 A Q S S- 0 0 49 -5,-0.1 -2,-2.3 384,-0.0 382,-0.1 -0.886 98.4 -97.9-129.1 163.1 39.1 75.2 10.6 68 98 A T > - 0 0 15 -2,-0.3 4,-2.8 -4,-0.2 -4,-0.4 -0.319 40.0-100.7 -74.6 166.4 42.4 74.7 8.7 69 99 A F H > S+ 0 0 14 -6,-0.3 4,-2.3 1,-0.2 -5,-0.2 0.939 124.8 45.3 -49.6 -51.4 44.5 71.7 9.3 70 100 A E H > S+ 0 0 65 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.888 110.9 52.5 -68.3 -36.5 46.9 73.6 11.5 71 101 A E H > S+ 0 0 68 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.946 112.8 44.6 -63.0 -47.8 44.1 75.3 13.5 72 102 A Y H X>S+ 0 0 14 -4,-2.8 4,-2.9 1,-0.2 5,-2.0 0.896 111.3 54.7 -63.0 -38.9 42.4 72.0 14.2 73 103 A Y H <>S+ 0 0 5 -4,-2.3 5,-2.5 -5,-0.3 6,-0.3 0.943 113.8 40.5 -59.3 -44.9 45.8 70.5 15.1 74 104 A Q H <5S+ 0 0 64 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.881 124.1 36.8 -72.4 -37.8 46.5 73.2 17.7 75 105 A H H <5S- 0 0 98 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.816 137.3 -5.6 -87.7 -27.5 43.1 73.4 19.1 76 106 A D T >X5S+ 0 0 26 -4,-2.9 4,-2.3 -5,-0.3 3,-0.7 0.690 117.4 55.8-132.8 -58.9 42.0 69.8 19.1 77 107 A T H 3> S+ 0 0 74 -3,-0.7 4,-2.7 -6,-0.3 5,-0.3 0.868 110.1 53.1 -73.9 -40.0 45.3 67.2 22.6 80 110 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.951 114.6 41.6 -59.5 -48.7 43.3 64.2 21.4 81 111 A L H X S+ 0 0 3 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.898 114.3 50.7 -68.8 -38.3 46.5 62.3 20.5 82 112 A S H X S+ 0 0 58 -4,-2.0 4,-2.0 -5,-0.3 -1,-0.2 0.919 115.5 43.0 -63.3 -43.6 48.4 63.4 23.7 83 113 A N H X S+ 0 0 26 -4,-2.7 4,-3.0 2,-0.2 5,-0.3 0.851 110.6 55.6 -75.1 -28.0 45.5 62.3 25.9 84 114 A A H X S+ 0 0 3 -4,-2.3 4,-2.7 -5,-0.3 5,-0.4 0.933 107.7 50.3 -66.8 -41.9 45.1 59.1 23.9 85 115 A L H X S+ 0 0 7 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.953 114.9 43.0 -59.7 -47.7 48.7 58.2 24.5 86 116 A R H X S+ 0 0 127 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.948 117.3 44.7 -63.1 -50.3 48.4 58.9 28.3 87 117 A H H X S+ 0 0 6 -4,-3.0 4,-1.2 1,-0.2 -2,-0.2 0.887 115.4 45.4 -66.0 -40.1 45.0 57.1 28.7 88 118 A L H < S+ 0 0 0 -4,-2.7 3,-0.4 -5,-0.3 -1,-0.2 0.910 112.1 53.6 -68.7 -42.3 45.9 54.0 26.7 89 119 A H H < S+ 0 0 87 -4,-2.2 -2,-0.2 -5,-0.4 -1,-0.2 0.952 116.0 39.2 -54.1 -45.7 49.3 53.8 28.4 90 120 A D H < S+ 0 0 92 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.622 116.9 49.5 -82.6 -12.8 47.6 53.8 31.8 91 121 A N >< - 0 0 30 -4,-1.2 3,-2.0 -3,-0.4 -1,-0.2 -0.810 66.5-169.7-130.1 88.2 44.5 51.6 31.0 92 122 A P T 3 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.695 83.2 51.0 -54.0 -26.4 45.7 48.4 29.3 93 123 A E T 3 S+ 0 0 146 2,-0.1 253,-0.2 254,-0.0 2,-0.2 0.541 87.3 101.1 -90.8 -7.2 42.3 47.2 28.2 94 124 A M < - 0 0 3 -3,-2.0 2,-0.3 -6,-0.2 -3,-0.1 -0.515 55.1-166.2 -76.9 150.5 41.2 50.5 26.6 95 125 A K - 0 0 27 -2,-0.2 2,-0.3 -40,-0.1 33,-0.2 -0.861 11.6-177.6-133.7 164.1 41.5 50.6 22.7 96 126 A F E - j 0 128C 2 31,-2.1 33,-2.4 -2,-0.3 2,-0.3 -0.955 13.8-146.4-162.9 140.9 41.4 53.3 20.1 97 127 A I E -ij 58 129C 3 -40,-1.9 -38,-0.5 -2,-0.3 2,-0.4 -0.880 12.1-164.2-113.5 150.1 41.5 53.5 16.3 98 128 A W E + j 0 130C 2 31,-2.3 33,-2.4 -2,-0.3 35,-0.2 -0.996 14.4 171.9-136.6 132.9 43.1 56.2 14.2 99 129 A A + 0 0 6 -2,-0.4 2,-0.9 -40,-0.3 34,-0.4 0.798 56.0 75.8-106.6 -39.5 42.6 57.0 10.4 100 130 A E > - 0 0 3 1,-0.2 4,-1.7 33,-0.1 3,-0.4 -0.678 46.1-179.3 -92.6 101.7 44.3 60.3 9.4 101 131 A I H > S+ 0 0 0 33,-2.5 4,-3.1 -2,-0.9 5,-0.3 0.800 76.5 71.4 -72.9 -22.8 48.1 59.9 9.1 102 132 A S H > S+ 0 0 4 33,-2.3 4,-1.6 32,-0.3 -1,-0.2 0.949 108.0 37.7 -54.5 -45.3 48.6 63.6 8.1 103 133 A Y H > S+ 0 0 0 -3,-0.4 4,-2.1 32,-0.3 -1,-0.2 0.893 115.3 52.5 -71.0 -42.7 47.7 64.5 11.7 104 134 A F H X S+ 0 0 0 -4,-1.7 4,-3.1 1,-0.2 5,-0.2 0.911 110.2 47.6 -64.1 -42.2 49.4 61.5 13.3 105 135 A A H X S+ 0 0 3 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.904 110.7 52.6 -63.1 -42.4 52.7 62.3 11.5 106 136 A R H X S+ 0 0 64 -4,-1.6 4,-0.6 -5,-0.3 -1,-0.2 0.859 116.1 41.1 -59.5 -39.6 52.4 66.0 12.5 107 137 A F H >X S+ 0 0 11 -4,-2.1 4,-0.7 2,-0.2 3,-0.6 0.931 113.5 50.8 -74.2 -50.9 52.0 64.9 16.2 108 138 A Y H >< S+ 0 0 5 -4,-3.1 3,-1.2 1,-0.3 -2,-0.2 0.886 105.7 54.6 -60.1 -41.6 54.6 62.1 16.3 109 139 A H H 3< S+ 0 0 84 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.822 107.5 52.0 -65.3 -27.6 57.4 64.2 14.9 110 140 A D H << S+ 0 0 107 -3,-0.6 -1,-0.3 -4,-0.6 -2,-0.2 0.559 90.4 102.3 -83.1 -8.4 56.8 66.8 17.6 111 141 A L S << S- 0 0 25 -3,-1.2 2,-0.0 -4,-0.7 -3,-0.0 -0.477 76.3-115.1 -76.9 145.2 57.0 64.2 20.5 112 142 A G > - 0 0 50 -2,-0.2 4,-2.4 1,-0.1 3,-0.2 -0.311 36.2-102.3 -69.1 161.2 60.0 63.8 22.6 113 143 A E H > S+ 0 0 118 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.857 119.2 56.7 -58.2 -38.7 61.8 60.5 22.4 114 144 A N H > S+ 0 0 104 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.947 112.5 42.3 -60.2 -46.3 60.4 59.0 25.6 115 145 A K H > S+ 0 0 96 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.841 108.7 58.2 -70.4 -34.7 56.8 59.6 24.4 116 146 A K H X S+ 0 0 32 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.931 109.6 46.8 -57.9 -44.3 57.7 58.3 20.8 117 147 A L H X S+ 0 0 95 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.911 110.7 50.3 -65.8 -41.0 58.7 55.0 22.5 118 148 A Q H X S+ 0 0 44 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.902 111.9 49.9 -61.2 -41.0 55.5 54.9 24.6 119 149 A M H X S+ 0 0 2 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.920 108.5 50.6 -64.7 -45.2 53.5 55.5 21.4 120 150 A K H X S+ 0 0 77 -4,-2.5 4,-3.0 1,-0.2 -1,-0.2 0.877 109.0 54.1 -61.4 -35.0 55.3 52.7 19.5 121 151 A S H X S+ 0 0 58 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.916 106.8 48.2 -67.7 -43.0 54.6 50.4 22.4 122 152 A I H <>S+ 0 0 3 -4,-1.9 6,-2.0 2,-0.2 5,-1.5 0.774 115.6 46.2 -71.2 -19.7 50.8 51.0 22.5 123 153 A V H ><5S+ 0 0 12 -4,-1.5 3,-1.7 4,-0.2 -2,-0.2 0.911 112.8 48.8 -81.4 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