==== 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 08-AUG-05 2ALW . COMPND 2 MOLECULE: ALPHA-MANNOSIDASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; . AUTHOR D.A.KUNTZ,M.B.BOLS,H.LIU,D.R.ROSE . 1014 1 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35574.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 660 65.1 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 . 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 . 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 . 88 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 8.2 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 . 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 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 . 6 7 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 . 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 0 125 0, 0.0 2,-0.0 0, 0.0 1000,-0.0 0.000 360.0 360.0 360.0 129.5 43.2 37.2 -18.6 2 32 A Q - 0 0 64 1001,-0.1 2,-0.6 1,-0.1 220,-0.0 -0.325 360.0-116.9 -62.7 149.8 39.4 37.4 -17.8 3 33 A D - 0 0 54 1,-0.1 4,-0.4 2,-0.0 220,-0.2 -0.795 28.4-170.1 -89.1 122.7 37.3 38.8 -20.5 4 34 A V S S+ 0 0 5 -2,-0.6 -1,-0.1 2,-0.1 877,-0.1 0.391 76.2 45.4-101.0 10.9 35.8 42.0 -19.0 5 35 A V S S+ 0 0 15 869,-0.1 871,-0.5 870,-0.1 876,-0.1 0.811 109.0 40.6-114.5 -46.0 33.3 42.6 -21.8 6 36 A Q S S+ 0 0 122 869,-0.2 2,-0.6 1,-0.1 -2,-0.1 0.577 96.7 68.6 -90.9 -14.6 31.4 39.4 -22.7 7 37 A D - 0 0 81 -4,-0.4 -1,-0.1 214,-0.2 216,-0.1 -0.944 69.6-143.5-111.5 119.3 30.6 37.6 -19.6 8 38 A V - 0 0 58 -2,-0.6 213,-0.1 871,-0.1 871,-0.1 -0.658 28.1-120.8 -78.3 119.6 28.0 39.1 -17.2 9 39 A P - 0 0 11 0, 0.0 2,-0.8 0, 0.0 214,-0.1 -0.351 16.1-132.5 -61.5 145.4 29.1 38.3 -13.6 10 40 A N + 0 0 144 213,-0.3 2,-0.3 2,-0.0 3,-0.0 -0.868 41.0 160.9 -99.1 110.0 26.7 36.3 -11.6 11 41 A V - 0 0 18 -2,-0.8 3,-0.2 1,-0.1 359,-0.1 -0.912 47.3-125.9-128.9 156.9 26.4 38.1 -8.2 12 42 A D S S+ 0 0 99 -2,-0.3 2,-0.4 1,-0.2 358,-0.2 0.835 101.5 26.1 -69.3 -34.6 23.8 38.0 -5.5 13 43 A V E -a 370 0A 3 356,-1.7 358,-1.9 -3,-0.0 2,-0.5 -0.985 63.9-178.4-132.2 121.4 23.3 41.7 -5.4 14 44 A Q E > -a 371 0A 29 -2,-0.4 4,-3.0 356,-0.2 3,-0.4 -0.980 22.8-144.8-120.3 112.5 24.0 43.9 -8.5 15 45 A M H > S+ 0 0 5 356,-2.6 4,-2.5 -2,-0.5 5,-0.1 0.801 95.2 50.9 -52.9 -35.8 23.3 47.5 -7.6 16 46 A L H > S+ 0 0 32 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.923 114.5 46.1 -68.6 -38.8 21.9 48.7 -10.9 17 47 A E H > S+ 0 0 88 -3,-0.4 4,-1.5 2,-0.2 -2,-0.2 0.938 112.2 50.7 -68.5 -42.6 19.5 45.8 -10.9 18 48 A L H X S+ 0 0 5 -4,-3.0 4,-2.6 1,-0.2 3,-0.4 0.938 108.7 51.8 -59.7 -43.4 18.6 46.4 -7.3 19 49 A Y H < S+ 0 0 22 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.867 104.8 56.2 -60.4 -38.7 17.9 50.1 -8.1 20 50 A D H < S+ 0 0 82 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.858 116.5 36.7 -62.5 -34.0 15.6 49.1 -10.9 21 51 A R H < S+ 0 0 138 -4,-1.5 -2,-0.2 -3,-0.4 -1,-0.2 0.797 95.3 93.8 -87.5 -37.4 13.5 47.0 -8.5 22 52 A M < - 0 0 7 -4,-2.6 181,-0.1 -5,-0.2 180,-0.0 -0.269 59.5-151.8 -61.2 145.9 13.5 49.0 -5.3 23 53 A S - 0 0 74 179,-0.1 -1,-0.1 2,-0.1 -4,-0.0 0.658 16.3-148.1 -96.6 -14.4 10.7 51.5 -4.6 24 54 A F + 0 0 19 1,-0.2 2,-0.3 178,-0.1 178,-0.1 0.750 29.3 171.8 58.1 29.4 12.6 54.0 -2.4 25 55 A K - 0 0 140 1,-0.1 2,-1.4 177,-0.1 -1,-0.2 -0.562 30.6-142.3 -76.4 133.5 9.6 54.9 -0.3 26 56 A D + 0 0 81 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 -0.565 36.9 165.6 -90.9 75.5 10.5 57.1 2.6 27 57 A I - 0 0 85 -2,-1.4 2,-0.8 7,-0.1 -2,-0.0 -0.668 45.7-105.8 -97.0 149.2 8.1 55.7 5.2 28 58 A D - 0 0 107 -2,-0.3 6,-0.2 1,-0.2 5,-0.1 -0.599 33.3-174.2 -68.2 106.8 8.3 56.3 9.0 29 59 A G - 0 0 11 4,-3.0 3,-0.4 -2,-0.8 2,-0.3 0.377 40.6-112.0 -88.1 7.7 9.7 53.1 10.3 30 60 A G S S- 0 0 25 3,-0.3 -1,-0.3 1,-0.2 5,-0.1 -0.802 82.4 -7.4 102.9-143.2 9.3 54.1 14.0 31 61 A V S S+ 0 0 68 -2,-0.3 2,-1.6 1,-0.3 -1,-0.2 0.907 137.5 57.8 -59.2 -35.7 12.2 54.7 16.4 32 62 A W S > S- 0 0 14 -3,-0.4 3,-2.1 1,-0.2 -1,-0.3 -0.731 87.4-166.6 -89.4 90.1 14.4 53.4 13.5 33 63 A K T 3 S+ 0 0 121 -2,-1.6 -4,-3.0 1,-0.3 -3,-0.3 0.803 79.9 34.6 -51.5 -36.9 13.0 56.1 11.2 34 64 A Q T 3 S+ 0 0 21 -6,-0.2 -1,-0.3 -5,-0.1 171,-0.1 0.240 124.2 38.5-106.6 15.0 14.2 54.6 8.0 35 65 A G S < S- 0 0 1 -3,-2.1 2,-0.3 212,-0.1 -8,-0.1 0.054 88.1 -96.8-127.3-123.8 13.8 51.0 8.9 36 66 A W - 0 0 68 -2,-0.1 2,-0.9 169,-0.0 -7,-0.1 -0.906 48.4 -69.7-156.7 175.7 11.2 49.0 10.9 37 67 A N - 0 0 101 -2,-0.3 2,-0.2 -6,-0.1 -7,-0.1 -0.670 56.0-141.4 -79.2 105.8 10.7 47.6 14.4 38 68 A I - 0 0 7 -2,-0.9 2,-0.3 1,-0.0 257,-0.1 -0.491 18.0-164.4 -73.3 137.4 13.3 44.9 14.6 39 69 A K - 0 0 163 -2,-0.2 2,-0.3 255,-0.1 -1,-0.0 -0.883 6.9-175.9-120.0 150.8 12.2 41.7 16.4 40 70 A Y - 0 0 64 -2,-0.3 254,-0.1 256,-0.0 3,-0.1 -0.973 30.1-115.0-142.6 158.4 14.4 38.9 17.7 41 71 A D > - 0 0 92 -2,-0.3 3,-2.4 1,-0.1 4,-0.4 -0.845 19.4-148.5 -94.2 115.2 13.9 35.6 19.4 42 72 A P G > S+ 0 0 84 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.790 95.8 62.7 -55.0 -23.3 15.5 35.7 22.9 43 73 A L G 3 S+ 0 0 136 1,-0.2 -2,-0.0 -3,-0.1 0, 0.0 0.548 76.9 88.8 -80.6 -3.2 16.3 32.0 22.5 44 74 A K G < S+ 0 0 62 -3,-2.4 2,-0.4 2,-0.0 -1,-0.2 0.910 89.5 46.9 -60.6 -40.4 18.7 32.6 19.6 45 75 A Y S < S+ 0 0 6 -3,-0.6 2,-0.3 -4,-0.4 5,-0.2 -0.829 74.9 145.8-104.2 141.5 21.6 33.1 21.9 46 76 A N B > -F 49 0B 66 3,-1.9 3,-2.2 -2,-0.4 293,-0.0 -0.882 62.8 -59.0-156.9-174.8 22.3 30.7 24.8 47 77 A A T 3 S+ 0 0 68 1,-0.3 3,-0.2 -2,-0.3 -2,-0.0 0.815 133.2 37.4 -47.5 -39.2 25.0 29.1 26.8 48 78 A H T 3 S+ 0 0 183 1,-0.2 -1,-0.3 2,-0.0 2,-0.2 0.362 123.5 40.7 -99.4 8.2 26.6 27.4 23.8 49 79 A H B < S+F 46 0B 57 -3,-2.2 -3,-1.9 2,-0.0 -1,-0.2 -0.655 75.1 176.2-154.9 85.4 26.1 30.2 21.3 50 80 A K - 0 0 84 -3,-0.2 2,-0.6 -5,-0.2 292,-0.2 -0.580 35.7-113.0 -94.5 161.3 26.7 33.7 22.7 51 81 A L E -g 342 0C 0 290,-2.3 292,-2.3 -2,-0.2 2,-0.6 -0.839 30.1-150.7 -91.0 114.6 26.6 37.1 21.0 52 82 A K E -gh 343 303C 72 250,-3.2 252,-3.3 -2,-0.6 2,-0.5 -0.841 14.7-162.4 -90.0 122.3 30.2 38.4 21.0 53 83 A V E -gh 344 304C 0 290,-2.7 292,-2.1 -2,-0.6 2,-0.6 -0.921 10.2-165.1-115.3 125.6 30.0 42.2 21.1 54 84 A F E -gh 345 305C 11 250,-3.1 252,-2.9 -2,-0.5 2,-0.7 -0.941 4.0-161.9-110.6 113.7 33.0 44.4 20.2 55 85 A V E -gh 346 306C 0 290,-2.6 292,-2.3 -2,-0.6 40,-0.1 -0.849 12.8-161.9 -93.5 117.1 32.7 48.1 21.3 56 86 A V E - h 0 307C 0 250,-2.3 252,-2.9 -2,-0.7 2,-0.1 -0.857 6.5-146.7-111.4 104.6 35.2 50.0 19.1 57 87 A P E + h 0 308C 0 0, 0.0 40,-2.0 0, 0.0 2,-0.3 -0.466 30.2 162.4 -68.6 137.0 36.2 53.5 20.4 58 88 A H E -ih 97 309C 2 250,-1.9 252,-0.6 38,-0.2 2,-0.4 -0.948 31.5-148.8-151.8 165.8 37.0 56.0 17.6 59 89 A S E - h 0 310C 6 38,-0.5 2,-0.8 -2,-0.3 40,-0.3 -0.939 18.0-140.7-143.9 112.2 37.3 59.7 16.9 60 90 A H E - h 0 311C 1 250,-2.2 252,-2.9 -2,-0.4 2,-0.6 -0.681 23.8-174.4 -80.2 112.8 36.5 61.1 13.5 61 91 A N - 0 0 0 -2,-0.8 42,-0.1 250,-0.2 39,-0.1 -0.925 13.2-151.3-114.0 113.6 39.1 63.8 12.7 62 92 A D - 0 0 0 -2,-0.6 2,-2.9 1,-0.1 3,-0.1 -0.720 15.8-135.9 -84.2 123.6 38.6 65.8 9.6 63 93 A P S S- 0 0 0 0, 0.0 6,-0.3 0, 0.0 377,-0.1 -0.385 88.1 -21.2 -76.4 66.8 41.9 67.0 8.1 64 94 A G S S+ 0 0 0 -2,-2.9 4,-0.2 4,-0.3 378,-0.1 0.158 83.9 127.3 102.0 138.0 40.3 70.4 7.6 65 95 A W S S+ 0 0 30 2,-2.5 384,-2.8 -3,-0.1 387,-0.2 -0.327 89.8 7.6-175.6 -83.3 36.5 71.2 7.4 66 96 A I S S+ 0 0 47 382,-0.2 2,-0.3 -4,-0.1 385,-0.1 0.652 142.3 26.1 -89.3 -22.0 35.2 74.0 9.8 67 97 A Q S S- 0 0 46 384,-0.0 -2,-2.5 385,-0.0 382,-0.1 -0.875 98.9 -96.1-128.7 167.1 38.8 74.8 10.8 68 98 A T > - 0 0 13 -2,-0.3 4,-2.7 -4,-0.2 -4,-0.3 -0.325 42.2 -99.4 -77.6 168.0 42.1 74.2 8.8 69 99 A F H > S+ 0 0 15 -6,-0.3 4,-2.3 1,-0.2 -5,-0.2 0.944 125.0 45.1 -50.3 -52.1 44.2 71.1 9.3 70 100 A E H > S+ 0 0 62 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.897 110.4 53.0 -65.8 -38.3 46.6 73.0 11.6 71 101 A E H > S+ 0 0 68 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.930 112.5 44.7 -61.4 -47.1 43.8 74.7 13.6 72 102 A Y H X>S+ 0 0 12 -4,-2.7 4,-2.7 2,-0.2 5,-2.0 0.896 112.1 53.3 -63.3 -39.0 42.1 71.4 14.4 73 103 A Y H <>S+ 0 0 6 -4,-2.3 5,-2.5 -5,-0.3 6,-0.3 0.952 114.8 40.4 -61.3 -46.9 45.5 69.8 15.2 74 104 A Q H <5S+ 0 0 64 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.890 124.4 36.5 -68.5 -39.9 46.3 72.6 17.7 75 105 A H H <5S- 0 0 99 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.784 137.9 -6.3 -86.4 -27.6 42.8 72.9 19.2 76 106 A D T >X5S+ 0 0 24 -4,-2.7 4,-2.0 -5,-0.3 3,-0.7 0.673 117.5 56.0-131.8 -61.1 41.7 69.3 19.2 77 107 A T H 3> S+ 0 0 74 -3,-0.7 4,-2.9 -6,-0.3 5,-0.3 0.893 110.0 51.9 -74.2 -40.6 45.0 66.6 22.7 80 110 A I H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.944 115.4 41.9 -59.0 -46.4 43.0 63.6 21.5 81 111 A L H X S+ 0 0 2 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.911 114.7 49.3 -72.6 -37.7 46.3 61.8 20.6 82 112 A S H X S+ 0 0 51 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.925 115.9 43.7 -66.9 -42.1 48.2 62.9 23.7 83 113 A N H X S+ 0 0 24 -4,-2.9 4,-2.9 2,-0.2 5,-0.2 0.826 110.9 54.8 -71.5 -30.1 45.3 61.7 25.9 84 114 A A H X S+ 0 0 4 -4,-2.3 4,-2.8 -5,-0.3 5,-0.4 0.931 108.0 50.3 -65.0 -44.9 44.8 58.5 23.9 85 115 A L H X S+ 0 0 3 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.955 115.4 43.0 -57.1 -45.1 48.5 57.7 24.5 86 116 A R H X S+ 0 0 112 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.948 117.1 44.5 -67.2 -51.5 48.1 58.3 28.2 87 117 A H H X S+ 0 0 19 -4,-2.9 4,-1.4 2,-0.2 7,-0.2 0.874 115.8 45.0 -62.9 -41.7 44.8 56.5 28.7 88 118 A L H < S+ 0 0 0 -4,-2.8 -1,-0.2 -5,-0.2 3,-0.2 0.897 111.8 53.6 -69.6 -42.8 45.6 53.5 26.7 89 119 A H H < S+ 0 0 92 -4,-2.1 -2,-0.2 -5,-0.4 -1,-0.2 0.964 116.9 39.0 -53.0 -48.1 49.1 53.2 28.3 90 120 A D H < S+ 0 0 102 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.639 117.1 48.4 -79.2 -17.3 47.3 53.3 31.8 91 121 A N >< - 0 0 32 -4,-1.4 3,-2.0 -3,-0.2 -1,-0.2 -0.778 67.6-170.0-128.0 87.7 44.3 51.1 31.0 92 122 A P T 3 S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.656 82.8 52.1 -54.8 -22.9 45.4 48.0 29.2 93 123 A E T 3 S+ 0 0 144 2,-0.1 253,-0.2 254,-0.0 2,-0.1 0.595 86.1 100.6 -90.9 -11.7 42.0 46.7 28.3 94 124 A M < - 0 0 1 -3,-2.0 2,-0.3 -7,-0.2 -3,-0.1 -0.488 55.8-165.3 -71.1 147.4 40.9 50.0 26.6 95 125 A K - 0 0 31 -40,-0.1 2,-0.3 -2,-0.1 33,-0.2 -0.833 10.9-178.3-129.4 163.0 41.1 50.1 22.8 96 126 A F E - j 0 128C 0 31,-2.2 33,-2.6 -2,-0.3 2,-0.3 -0.938 14.5-145.7-163.4 139.7 41.0 52.8 20.1 97 127 A I E -ij 58 129C 3 -40,-2.0 -38,-0.5 -2,-0.3 2,-0.4 -0.870 12.3-163.3-111.8 147.6 41.2 52.9 16.3 98 128 A W E + j 0 130C 1 31,-2.3 33,-2.4 -2,-0.3 35,-0.2 -0.994 14.8 171.4-132.9 132.2 42.8 55.7 14.2 99 129 A A + 0 0 6 -2,-0.4 2,-1.0 -40,-0.3 34,-0.4 0.829 56.0 75.2-106.6 -40.5 42.3 56.5 10.5 100 130 A E > - 0 0 4 1,-0.2 4,-1.6 33,-0.1 3,-0.4 -0.642 45.8-179.8 -90.5 102.2 44.0 59.7 9.5 101 131 A I H > S+ 0 0 0 33,-2.5 4,-3.4 -2,-1.0 5,-0.3 0.771 76.2 70.8 -72.5 -23.0 47.7 59.3 9.2 102 132 A S H > S+ 0 0 4 33,-2.2 4,-1.8 32,-0.3 -1,-0.2 0.951 107.4 38.8 -56.0 -48.9 48.2 63.0 8.2 103 133 A Y H > S+ 0 0 0 -3,-0.4 4,-2.0 32,-0.4 -1,-0.2 0.884 115.2 53.1 -66.8 -39.0 47.3 64.0 11.8 104 134 A F H X S+ 0 0 0 -4,-1.6 4,-3.1 1,-0.2 -2,-0.2 0.918 110.4 46.0 -65.6 -42.4 49.1 61.0 13.3 105 135 A A H X S+ 0 0 3 -4,-3.4 4,-2.2 1,-0.2 -1,-0.2 0.910 110.8 54.4 -63.9 -41.6 52.4 61.8 11.5 106 136 A R H < S+ 0 0 61 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.867 115.4 40.2 -57.8 -38.8 51.9 65.5 12.5 107 137 A F H >X S+ 0 0 10 -4,-2.0 3,-2.1 2,-0.2 4,-0.6 0.949 111.9 54.3 -73.5 -54.9 51.6 64.4 16.2 108 138 A Y H >< S+ 0 0 11 -4,-3.1 3,-1.3 1,-0.3 -2,-0.2 0.844 102.8 55.5 -52.3 -43.6 54.3 61.8 16.2 109 139 A H T 3< S+ 0 0 83 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.607 106.2 53.1 -72.1 -6.0 57.0 64.0 14.9 110 140 A D T <4 S+ 0 0 103 -3,-2.1 -1,-0.2 -5,-0.2 2,-0.2 0.488 91.1 100.2 -99.4 -5.0 56.4 66.4 17.8 111 141 A L S << S- 0 0 25 -3,-1.3 2,-0.1 -4,-0.6 -3,-0.0 -0.557 73.8-123.0 -81.5 143.3 56.7 63.6 20.4 112 142 A G > - 0 0 48 -2,-0.2 4,-2.1 1,-0.1 3,-0.4 -0.396 35.2 -99.4 -77.0 164.3 59.8 63.1 22.4 113 143 A E H > S+ 0 0 121 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.815 120.0 57.4 -54.0 -40.2 61.5 59.7 22.3 114 144 A N H > S+ 0 0 106 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.951 112.3 42.0 -59.1 -47.1 60.1 58.4 25.6 115 145 A K H > S+ 0 0 57 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.832 109.7 57.3 -69.6 -33.6 56.5 59.0 24.3 116 146 A K H X S+ 0 0 45 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.929 109.0 48.3 -61.7 -43.1 57.3 57.6 20.8 117 147 A L H X S+ 0 0 100 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.882 110.3 49.6 -64.6 -41.4 58.4 54.4 22.6 118 148 A Q H X S+ 0 0 38 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.884 111.7 50.6 -63.5 -37.1 55.2 54.4 24.6 119 149 A M H X S+ 0 0 2 -4,-2.4 4,-1.6 2,-0.2 5,-0.2 0.926 108.0 50.0 -67.7 -44.3 53.2 54.9 21.4 120 150 A K H X S+ 0 0 90 -4,-2.5 4,-3.1 1,-0.2 -1,-0.2 0.893 109.2 56.2 -61.1 -34.7 54.9 52.1 19.5 121 151 A S H X S+ 0 0 51 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.903 106.2 45.5 -65.6 -43.7 54.2 49.9 22.5 122 152 A I H <>S+ 0 0 4 -4,-1.8 6,-2.1 2,-0.2 5,-1.5 0.743 116.6 47.6 -74.8 -19.9 50.4 50.4 22.6 123 153 A V H ><5S+ 0 0 13 -4,-1.6 3,-1.6 4,-0.2 -2,-0.2 0.897 111.8 49.7 -79.8 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