==== 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 14-NOV-05 2F1A . COMPND 2 MOLECULE: ALPHA-MANNOSIDASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; . AUTHOR D.A.KUNTZ,D.R.ROSE . 1015 1 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35798.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 665 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 . 211 20.8 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 . 5 0.5 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 . 89 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 193 19.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 0.7 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 8 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 . 1 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 0.000 360.0 360.0 360.0 132.5 43.4 37.0 -18.4 2 32 A Q - 0 0 59 1001,-0.1 2,-0.7 1,-0.1 220,-0.0 -0.386 360.0-116.9 -68.3 147.6 39.7 37.3 -17.5 3 33 A D > - 0 0 55 1,-0.1 4,-0.5 -2,-0.1 220,-0.2 -0.782 26.9-169.8 -88.1 117.3 37.5 38.7 -20.3 4 34 A V T 4 S+ 0 0 4 -2,-0.7 -1,-0.1 1,-0.1 877,-0.1 0.452 77.4 44.0 -92.5 6.4 36.0 41.9 -18.9 5 35 A V T 4 S+ 0 0 15 869,-0.1 871,-0.5 870,-0.1 -1,-0.1 0.808 110.8 39.7-112.7 -43.5 33.5 42.4 -21.7 6 36 A Q T 4 S+ 0 0 128 869,-0.2 2,-0.6 1,-0.1 -2,-0.1 0.518 97.3 72.9 -94.9 -8.5 31.7 39.1 -22.6 7 37 A D < - 0 0 70 -4,-0.5 -1,-0.1 214,-0.2 216,-0.0 -0.889 67.6-150.2-114.1 103.8 31.0 37.4 -19.3 8 38 A V - 0 0 58 -2,-0.6 213,-0.1 1,-0.1 871,-0.1 -0.561 28.0-121.5 -70.9 118.8 28.3 39.0 -17.1 9 39 A P - 0 0 13 0, 0.0 2,-0.8 0, 0.0 214,-0.1 -0.284 13.6-132.8 -63.3 145.1 29.3 38.2 -13.5 10 40 A N + 0 0 142 213,-0.4 2,-0.3 2,-0.0 3,-0.0 -0.871 40.2 161.4 -99.4 112.1 26.8 36.3 -11.4 11 41 A V - 0 0 20 -2,-0.8 3,-0.2 1,-0.1 359,-0.1 -0.928 46.7-128.1-128.9 156.4 26.5 38.1 -8.1 12 42 A D S S+ 0 0 100 -2,-0.3 2,-0.4 357,-0.3 358,-0.2 0.863 101.2 27.0 -70.8 -36.1 23.9 38.0 -5.3 13 43 A V E -a 370 0A 5 356,-1.7 358,-2.1 -3,-0.0 2,-0.5 -0.991 63.9-179.9-129.7 120.9 23.4 41.8 -5.3 14 44 A Q E > -a 371 0A 27 -2,-0.4 4,-2.7 356,-0.2 3,-0.4 -0.987 23.5-144.6-120.8 116.0 24.1 43.9 -8.4 15 45 A M H > S+ 0 0 5 356,-2.6 4,-2.6 -2,-0.5 357,-0.1 0.795 95.6 51.8 -57.6 -33.4 23.5 47.5 -7.5 16 46 A L H > S+ 0 0 32 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.920 113.9 46.0 -67.9 -39.8 22.0 48.7 -10.8 17 47 A E H > S+ 0 0 84 -3,-0.4 4,-1.6 2,-0.2 -2,-0.2 0.931 111.7 51.9 -66.3 -42.3 19.6 45.7 -10.7 18 48 A L H X S+ 0 0 4 -4,-2.7 4,-2.4 1,-0.2 3,-0.4 0.937 108.8 50.8 -60.1 -46.6 18.8 46.5 -7.1 19 49 A Y H < S+ 0 0 21 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.869 105.6 55.0 -59.4 -35.1 18.0 50.1 -8.0 20 50 A D H < S+ 0 0 84 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.856 116.0 38.9 -67.2 -32.6 15.7 49.1 -10.8 21 51 A R H < S+ 0 0 133 -4,-1.6 -2,-0.2 -3,-0.4 -1,-0.2 0.763 94.2 98.3 -85.5 -34.4 13.6 47.0 -8.4 22 52 A M < - 0 0 8 -4,-2.4 181,-0.0 -5,-0.2 180,-0.0 -0.252 57.5-154.0 -62.2 145.1 13.6 49.1 -5.3 23 53 A S - 0 0 83 179,-0.1 -1,-0.1 2,-0.1 -4,-0.0 0.663 18.1-150.0 -90.6 -21.8 10.7 51.4 -4.5 24 54 A F + 0 0 24 1,-0.2 2,-0.2 178,-0.1 178,-0.1 0.769 29.0 172.2 56.0 30.3 12.7 54.0 -2.4 25 55 A K - 0 0 154 1,-0.1 2,-1.0 177,-0.1 -1,-0.2 -0.501 27.9-144.8 -72.4 137.7 9.7 54.8 -0.2 26 56 A D + 0 0 84 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 -0.651 35.2 161.8-103.6 78.6 10.5 57.1 2.6 27 57 A I - 0 0 98 -2,-1.0 2,-0.7 7,-0.1 -2,-0.0 -0.677 48.3-102.6-102.9 154.6 8.3 55.9 5.4 28 58 A D - 0 0 117 -2,-0.3 6,-0.2 1,-0.2 5,-0.1 -0.580 33.5-174.4 -71.9 109.0 8.5 56.4 9.1 29 59 A G - 0 0 12 4,-2.6 3,-0.4 -2,-0.7 2,-0.3 0.382 42.0-110.7 -87.7 4.4 9.8 53.1 10.5 30 60 A G S S- 0 0 24 3,-0.3 -1,-0.3 1,-0.2 5,-0.1 -0.809 82.4 -7.5 104.9-144.3 9.5 54.1 14.1 31 61 A V S S+ 0 0 63 -2,-0.3 2,-1.3 1,-0.2 -1,-0.2 0.874 136.9 57.3 -60.7 -34.5 12.4 54.7 16.5 32 62 A W S > S- 0 0 14 -3,-0.4 3,-1.8 1,-0.2 -1,-0.2 -0.812 88.5-164.0 -90.7 94.5 14.6 53.5 13.6 33 63 A K T 3 S+ 0 0 123 -2,-1.3 -4,-2.6 1,-0.3 -3,-0.3 0.780 80.0 34.6 -56.8 -33.1 13.2 56.2 11.3 34 64 A Q T 3 S+ 0 0 24 -6,-0.2 -1,-0.3 -5,-0.1 171,-0.1 0.235 123.4 40.7-109.4 16.1 14.4 54.7 8.1 35 65 A G S < S- 0 0 1 -3,-1.8 2,-0.3 212,-0.1 -8,-0.1 0.077 88.1 -94.2-125.0-125.2 14.0 51.0 9.0 36 66 A W - 0 0 70 -2,-0.1 2,-1.0 169,-0.0 -7,-0.1 -0.923 47.9 -72.6-154.9 172.0 11.4 49.0 10.9 37 67 A N - 0 0 110 -2,-0.3 2,-0.2 -6,-0.1 -7,-0.1 -0.665 54.7-139.6 -78.1 107.6 10.9 47.8 14.5 38 68 A I - 0 0 12 -2,-1.0 2,-0.4 1,-0.0 256,-0.1 -0.453 19.9-169.6 -71.3 133.8 13.5 45.0 14.8 39 69 A K - 0 0 181 -2,-0.2 2,-0.3 255,-0.1 -1,-0.0 -0.920 3.5-174.6-121.8 146.3 12.4 41.9 16.7 40 70 A Y - 0 0 63 -2,-0.4 254,-0.1 256,-0.0 3,-0.0 -0.963 31.3-111.7-138.5 157.7 14.7 39.1 17.8 41 71 A D > - 0 0 92 -2,-0.3 3,-3.0 1,-0.1 4,-0.4 -0.813 21.5-150.3 -89.3 108.3 14.2 35.6 19.4 42 72 A P G > S+ 0 0 87 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.785 95.7 61.1 -50.7 -26.6 15.6 35.9 23.0 43 73 A L G 3 S+ 0 0 137 1,-0.2 -2,-0.0 -3,-0.0 0, 0.0 0.450 77.3 90.4 -81.5 -0.9 16.5 32.2 22.7 44 74 A K G < S+ 0 0 63 -3,-3.0 2,-0.4 1,-0.0 -1,-0.2 0.871 88.9 47.8 -61.1 -38.5 18.8 32.7 19.8 45 75 A Y S < S+ 0 0 9 -3,-0.7 2,-0.2 -4,-0.4 5,-0.2 -0.880 71.6 145.9-108.3 142.7 21.7 33.2 22.2 46 76 A N B > -F 49 0B 68 3,-1.6 3,-1.5 -2,-0.4 -3,-0.0 -0.826 65.0 -62.1-154.6-171.6 22.4 30.9 25.1 47 77 A A T 3 S+ 0 0 73 1,-0.3 3,-0.2 -2,-0.2 -2,-0.0 0.824 134.6 40.8 -56.9 -30.2 25.4 29.4 27.0 48 78 A H T 3 S+ 0 0 186 1,-0.2 -1,-0.3 0, 0.0 2,-0.2 0.437 122.3 40.1 -97.6 -2.3 26.7 27.7 23.9 49 79 A H B < S+F 46 0B 61 -3,-1.5 -3,-1.6 2,-0.0 -1,-0.2 -0.665 75.3 174.1-148.9 86.4 26.0 30.5 21.5 50 80 A K - 0 0 63 -3,-0.2 2,-0.6 -5,-0.2 292,-0.2 -0.582 35.5-114.6 -95.3 158.2 26.8 33.9 23.0 51 81 A L E -g 342 0C 0 290,-2.4 292,-2.4 -2,-0.2 2,-0.6 -0.822 28.5-151.5 -90.6 122.5 26.7 37.3 21.2 52 82 A K E -gh 343 303C 76 250,-3.3 252,-3.2 -2,-0.6 2,-0.5 -0.878 13.7-165.1 -99.8 120.5 30.3 38.7 21.2 53 83 A V E -gh 344 304C 0 290,-2.5 292,-2.2 -2,-0.6 2,-0.6 -0.926 10.4-164.6-113.9 128.2 30.3 42.4 21.1 54 84 A F E -gh 345 305C 21 250,-2.8 252,-3.0 -2,-0.5 2,-0.7 -0.933 5.6-160.3-110.8 115.1 33.2 44.6 20.3 55 85 A V E -gh 346 306C 0 290,-2.8 292,-2.5 -2,-0.6 40,-0.1 -0.854 12.3-162.0 -95.6 117.9 32.9 48.3 21.3 56 86 A V E - h 0 307C 0 250,-2.4 252,-2.8 -2,-0.7 292,-0.1 -0.850 6.1-148.2-111.8 100.8 35.4 50.2 19.2 57 87 A P E + h 0 308C 0 0, 0.0 40,-1.9 0, 0.0 2,-0.3 -0.423 30.1 162.1 -67.0 137.4 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 -0.959 31.4-147.9-152.0 166.4 37.2 56.1 17.6 59 89 A S E - h 0 310C 6 38,-0.5 2,-0.7 -2,-0.3 40,-0.3 -0.943 16.8-140.2-144.5 114.2 37.5 59.8 16.8 60 90 A H E - h 0 311C 1 250,-1.9 252,-2.7 -2,-0.4 2,-0.7 -0.692 24.0-175.2 -80.3 112.7 36.7 61.3 13.4 61 91 A N - 0 0 0 -2,-0.7 42,-0.1 250,-0.2 250,-0.1 -0.857 12.5-152.4-115.9 102.2 39.3 63.9 12.7 62 92 A D - 0 0 1 -2,-0.7 2,-2.5 1,-0.1 3,-0.1 -0.544 15.2-136.1 -74.4 125.6 38.8 65.9 9.5 63 93 A P S S- 0 0 0 0, 0.0 6,-0.3 0, 0.0 377,-0.1 -0.408 87.6 -19.3 -78.1 64.8 42.1 67.2 8.0 64 94 A G S S+ 0 0 0 -2,-2.5 4,-0.2 4,-0.3 378,-0.1 0.153 83.4 125.7 104.2 134.9 40.4 70.5 7.4 65 95 A W S S+ 0 0 31 2,-2.4 384,-2.8 -3,-0.1 387,-0.2 -0.342 90.4 6.7-172.0 -86.1 36.7 71.4 7.3 66 96 A I S S+ 0 0 47 382,-0.2 2,-0.3 2,-0.1 385,-0.1 0.651 142.1 25.3 -85.4 -23.1 35.4 74.1 9.6 67 97 A Q S S- 0 0 44 384,-0.0 -2,-2.4 1,-0.0 382,-0.1 -0.853 98.2 -95.9-131.6 165.8 39.0 74.9 10.6 68 98 A T > - 0 0 15 -2,-0.3 4,-2.9 -4,-0.2 -4,-0.3 -0.325 41.0-100.7 -77.1 167.5 42.3 74.3 8.7 69 99 A F H > S+ 0 0 13 -6,-0.3 4,-2.3 1,-0.2 -5,-0.2 0.936 124.8 45.6 -51.6 -49.3 44.4 71.2 9.3 70 100 A E H > S+ 0 0 66 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.894 111.1 52.1 -69.3 -36.0 46.8 73.2 11.4 71 101 A E H > S+ 0 0 67 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.931 112.5 45.0 -63.9 -48.9 44.0 74.9 13.4 72 102 A Y H X>S+ 0 0 11 -4,-2.9 4,-2.8 1,-0.2 5,-2.1 0.887 111.5 54.4 -61.0 -40.3 42.3 71.6 14.2 73 103 A Y H <>S+ 0 0 6 -4,-2.3 5,-2.4 -5,-0.3 6,-0.3 0.946 114.2 39.8 -58.7 -46.4 45.7 70.0 15.1 74 104 A Q H <5S+ 0 0 65 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.885 124.2 37.5 -69.8 -39.8 46.5 72.8 17.6 75 105 A H H <5S- 0 0 98 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.761 137.8 -7.1 -84.5 -30.5 43.0 73.1 19.1 76 106 A D T >X5S+ 0 0 25 -4,-2.8 4,-2.2 -5,-0.3 3,-0.7 0.666 117.7 56.6-131.6 -58.1 41.9 69.4 19.1 77 107 A T H 3> S+ 0 0 75 -3,-0.7 4,-2.9 -6,-0.3 5,-0.3 0.883 110.0 53.6 -75.6 -40.5 45.2 66.8 22.6 80 110 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.940 114.9 41.3 -57.3 -48.5 43.2 63.8 21.4 81 111 A L H X S+ 0 0 1 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.886 114.5 49.7 -69.1 -39.4 46.4 62.0 20.5 82 112 A S H X S+ 0 0 58 -4,-1.9 4,-2.0 -5,-0.3 -2,-0.2 0.925 115.9 43.6 -66.3 -41.7 48.4 63.0 23.6 83 113 A N H X S+ 0 0 24 -4,-2.9 4,-3.1 1,-0.2 5,-0.3 0.855 109.8 56.2 -73.4 -30.2 45.5 61.9 25.9 84 114 A A H X S+ 0 0 1 -4,-2.3 4,-2.8 -5,-0.3 5,-0.4 0.925 107.6 50.5 -63.0 -42.1 45.0 58.7 23.9 85 115 A L H X S+ 0 0 4 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.957 114.8 42.5 -60.2 -46.3 48.6 57.9 24.6 86 116 A R H X S+ 0 0 126 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.961 117.6 44.3 -66.2 -49.4 48.3 58.5 28.3 87 117 A H H X S+ 0 0 7 -4,-3.1 4,-1.0 1,-0.2 -2,-0.2 0.870 115.2 46.5 -67.8 -37.6 44.9 56.8 28.7 88 118 A L H >< S+ 0 0 0 -4,-2.8 3,-0.6 -5,-0.3 -1,-0.2 0.923 111.4 52.3 -69.8 -41.4 45.7 53.7 26.7 89 119 A H H 3< S+ 0 0 87 -4,-2.1 -2,-0.2 -5,-0.4 -1,-0.2 0.957 115.5 41.7 -56.7 -46.7 49.1 53.4 28.4 90 120 A D H 3< S+ 0 0 91 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.584 115.9 48.6 -78.0 -10.8 47.4 53.5 31.8 91 121 A N X< - 0 0 30 -4,-1.0 3,-2.2 -3,-0.6 -1,-0.2 -0.749 67.7-169.1-133.7 84.7 44.3 51.3 31.0 92 122 A P T 3 S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.631 83.7 50.2 -49.2 -26.9 45.5 48.1 29.3 93 123 A E T 3 S+ 0 0 147 2,-0.1 253,-0.2 254,-0.0 2,-0.1 0.553 87.5 100.3 -91.6 -10.8 42.1 46.9 28.2 94 124 A M < - 0 0 3 -3,-2.2 2,-0.3 -6,-0.2 -3,-0.1 -0.487 56.0-166.5 -72.6 147.8 41.0 50.2 26.6 95 125 A K - 0 0 26 -40,-0.1 2,-0.3 -2,-0.1 33,-0.2 -0.869 11.3-176.2-132.9 163.3 41.3 50.3 22.8 96 126 A F E - j 0 128C 1 31,-2.2 33,-2.5 -2,-0.3 2,-0.3 -0.957 13.0-146.9-160.4 140.5 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 -0.878 11.6-162.5-113.7 149.7 41.4 53.1 16.3 98 128 A W E + j 0 130C 1 31,-2.2 33,-2.4 -2,-0.3 35,-0.1 -0.996 15.2 171.5-135.2 132.0 43.0 55.9 14.2 99 129 A A + 0 0 6 -2,-0.4 2,-1.0 -40,-0.3 34,-0.4 0.820 56.3 74.6-105.2 -42.3 42.5 56.6 10.5 100 130 A E >> - 0 0 3 1,-0.2 4,-1.6 33,-0.1 3,-0.5 -0.665 46.8-178.9 -90.1 102.1 44.1 59.9 9.4 101 131 A I H 3> S+ 0 0 0 33,-2.5 4,-3.3 -2,-1.0 5,-0.3 0.797 76.6 70.1 -73.0 -23.7 47.9 59.5 9.2 102 132 A S H 3> S+ 0 0 3 33,-2.2 4,-1.8 32,-0.3 -1,-0.2 0.942 107.6 39.5 -54.7 -44.9 48.4 63.2 8.1 103 133 A Y H <> S+ 0 0 0 -3,-0.5 4,-1.9 32,-0.3 -1,-0.2 0.883 115.0 52.2 -71.6 -39.6 47.5 64.1 11.7 104 134 A F H X S+ 0 0 0 -4,-1.6 4,-3.2 1,-0.2 -2,-0.2 0.922 111.1 46.1 -65.8 -39.5 49.3 61.2 13.3 105 135 A A H X S+ 0 0 4 -4,-3.3 4,-2.0 1,-0.2 -1,-0.2 0.900 110.4 54.1 -69.0 -38.3 52.5 62.0 11.5 106 136 A R H < S+ 0 0 60 -4,-1.8 4,-0.3 -5,-0.3 -1,-0.2 0.878 115.8 40.7 -60.7 -37.5 52.2 65.7 12.5 107 137 A F H >< S+ 0 0 11 -4,-1.9 3,-1.5 2,-0.2 4,-0.4 0.942 111.9 53.2 -74.8 -51.1 51.8 64.6 16.1 108 138 A Y H >< S+ 0 0 6 -4,-3.2 3,-1.2 1,-0.3 -2,-0.2 0.830 103.1 56.1 -58.3 -38.8 54.5 61.9 16.2 109 139 A H T 3< S+ 0 0 83 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.666 105.7 53.4 -71.7 -13.2 57.3 64.1 14.9 110 140 A D T < S+ 0 0 107 -3,-1.5 -1,-0.3 -4,-0.3 2,-0.2 0.441 90.7 100.7 -96.3 -3.5 56.7 66.6 17.7 111 141 A L S < S- 0 0 28 -3,-1.2 2,-0.1 -4,-0.4 -3,-0.0 -0.540 74.5-118.9 -82.2 149.1 57.0 63.9 20.4 112 142 A G > - 0 0 48 -2,-0.2 4,-2.3 1,-0.1 3,-0.3 -0.417 35.1-102.1 -78.3 163.7 60.1 63.4 22.5 113 143 A E H > S+ 0 0 112 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.850 119.9 59.1 -56.1 -39.2 61.8 60.0 22.3 114 144 A N H > S+ 0 0 106 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.955 111.7 40.1 -57.8 -46.9 60.3 58.8 25.5 115 145 A K H > S+ 0 0 85 -3,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.841 109.5 59.1 -72.3 -34.1 56.7 59.2 24.2 116 146 A K H X S+ 0 0 44 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.928 108.6 47.5 -59.4 -41.5 57.6 57.9 20.7 117 147 A L H X S+ 0 0 94 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.908 110.9 49.0 -66.3 -42.2 58.6 54.7 22.5 118 148 A Q H X S+ 0 0 47 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.905 112.5 50.5 -63.0 -39.9 55.4 54.6 24.6 119 149 A M H X S+ 0 0 0 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.942 108.0 50.5 -64.0 -47.0 53.4 55.2 21.4 120 150 A K H X S+ 0 0 79 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.867 108.9 55.3 -59.3 -33.2 55.1 52.4 19.5 121 151 A S H X S+ 0 0 45 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.902 105.5 47.7 -68.2 -42.6 54.4 50.1 22.5 122 152 A I H <>S+ 0 0 2 -4,-1.9 6,-2.1 2,-0.2 5,-1.3 0.742 115.5 48.1 -73.1 -18.8 50.6 50.7 22.6 123 153 A V H ><5S+ 0 0 11 -4,-1.5 3,-1.5 4,-0.2 -2,-0.2 0.919 111.6 48.1 -81.4 -46.1 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