==== 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 29-APR-08 3CZS . COMPND 2 MOLECULE: ALPHA-MANNOSIDASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; . AUTHOR N.SHAH,D.R.ROSE . 1014 1 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35955.0 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 . 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 . 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 . 87 8.6 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 . 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 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 . 9 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 0 118 0, 0.0 2,-0.1 0, 0.0 1000,-0.0 0.000 360.0 360.0 360.0 145.2 43.4 37.4 -18.8 2 32 A Q - 0 0 65 1001,-0.1 2,-0.7 1,-0.1 220,-0.0 -0.441 360.0-117.8 -64.3 141.1 39.8 37.7 -17.7 3 33 A D - 0 0 56 1,-0.1 4,-0.5 -2,-0.1 220,-0.2 -0.772 28.6-173.4 -83.1 114.4 37.4 38.9 -20.4 4 34 A V S S+ 0 0 5 -2,-0.7 -1,-0.1 1,-0.1 877,-0.1 0.400 76.2 44.1 -92.3 2.9 36.1 42.2 -19.0 5 35 A V S S+ 0 0 17 869,-0.1 871,-0.5 870,-0.1 -1,-0.1 0.791 111.7 38.1-110.2 -44.0 33.5 42.7 -21.9 6 36 A Q S S+ 0 0 124 869,-0.2 2,-0.6 1,-0.1 -2,-0.1 0.522 97.5 73.1-103.1 -9.8 31.7 39.5 -22.8 7 37 A D - 0 0 80 -4,-0.5 -1,-0.1 214,-0.2 216,-0.1 -0.920 67.5-149.3-112.4 108.2 31.1 37.7 -19.5 8 38 A V - 0 0 57 -2,-0.6 213,-0.1 871,-0.1 871,-0.1 -0.643 27.1-121.5 -75.5 116.7 28.4 39.3 -17.3 9 39 A P - 0 0 13 0, 0.0 2,-0.8 0, 0.0 214,-0.1 -0.273 13.5-132.8 -59.5 141.3 29.3 38.6 -13.6 10 40 A N + 0 0 141 213,-0.3 2,-0.3 2,-0.0 3,-0.0 -0.888 40.2 162.6 -95.8 107.7 26.8 36.6 -11.5 11 41 A V - 0 0 19 -2,-0.8 3,-0.2 1,-0.1 359,-0.1 -0.898 46.3-129.0-123.5 156.0 26.5 38.5 -8.2 12 42 A D S S+ 0 0 100 357,-0.4 2,-0.4 -2,-0.3 358,-0.2 0.861 101.3 27.9 -70.5 -35.6 23.9 38.4 -5.5 13 43 A V E -a 370 0A 6 356,-1.8 358,-2.2 -3,-0.0 2,-0.5 -0.988 63.4-179.7-130.8 118.9 23.5 42.2 -5.5 14 44 A Q E > -a 371 0A 27 -2,-0.4 4,-2.8 356,-0.2 3,-0.3 -0.988 23.4-145.0-117.4 118.8 24.2 44.3 -8.6 15 45 A M H > S+ 0 0 6 356,-2.5 4,-2.6 -2,-0.5 357,-0.1 0.805 95.6 51.0 -64.3 -32.6 23.5 47.9 -7.6 16 46 A L H > S+ 0 0 31 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.931 113.8 46.2 -65.9 -41.5 22.1 49.0 -11.0 17 47 A E H > S+ 0 0 84 -3,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.915 111.8 51.5 -65.5 -43.5 19.6 46.1 -10.9 18 48 A L H X S+ 0 0 4 -4,-2.8 4,-2.5 1,-0.2 3,-0.3 0.939 108.7 51.2 -58.6 -46.7 18.8 46.8 -7.3 19 49 A Y H < S+ 0 0 19 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.869 106.8 54.1 -56.8 -38.4 18.1 50.5 -8.2 20 50 A D H < S+ 0 0 80 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.872 116.1 38.6 -65.0 -36.7 15.8 49.4 -11.0 21 51 A R H < S+ 0 0 134 -4,-1.7 -2,-0.2 -3,-0.3 -1,-0.2 0.774 95.2 94.7 -85.2 -33.8 13.7 47.2 -8.5 22 52 A M < - 0 0 7 -4,-2.5 181,-0.0 -5,-0.2 180,-0.0 -0.314 57.5-154.9 -67.1 147.8 13.7 49.4 -5.4 23 53 A S - 0 0 83 179,-0.1 -1,-0.1 2,-0.1 -4,-0.0 0.587 19.7-147.0 -97.7 -15.6 10.8 51.8 -4.7 24 54 A F + 0 0 22 1,-0.2 2,-0.2 178,-0.1 178,-0.1 0.772 28.9 175.4 54.9 31.7 12.7 54.3 -2.6 25 55 A K - 0 0 157 1,-0.1 2,-1.0 177,-0.1 -1,-0.2 -0.518 26.2-144.8 -71.4 134.5 9.7 55.1 -0.4 26 56 A D + 0 0 82 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 -0.631 36.0 161.6-102.2 73.1 10.5 57.4 2.5 27 57 A I - 0 0 102 -2,-1.0 2,-0.7 7,-0.1 -2,-0.0 -0.675 48.4-104.2 -98.3 149.1 8.3 56.1 5.2 28 58 A D - 0 0 117 -2,-0.3 6,-0.2 1,-0.1 5,-0.1 -0.605 32.1-171.9 -69.1 110.3 8.5 56.7 9.0 29 59 A G - 0 0 11 4,-2.5 3,-0.4 -2,-0.7 2,-0.4 0.357 41.2-112.0 -86.7 4.7 9.9 53.4 10.3 30 60 A G S S- 0 0 25 3,-0.3 -1,-0.3 1,-0.2 5,-0.1 -0.822 83.6 -5.9 101.0-141.5 9.4 54.4 13.9 31 61 A V S S+ 0 0 57 -2,-0.4 2,-1.2 1,-0.2 -1,-0.2 0.891 136.5 57.5 -59.5 -38.9 12.4 55.0 16.3 32 62 A W S > S- 0 0 14 -3,-0.4 3,-1.8 1,-0.2 -1,-0.2 -0.800 88.0-164.0 -86.4 94.6 14.6 53.8 13.4 33 63 A K T 3 S+ 0 0 123 -2,-1.2 -4,-2.5 1,-0.3 -3,-0.3 0.785 81.2 33.5 -60.4 -32.6 13.2 56.5 11.2 34 64 A Q T 3 S+ 0 0 25 -6,-0.2 -1,-0.3 -5,-0.1 171,-0.1 0.217 123.7 41.6-109.8 14.9 14.4 55.0 7.9 35 65 A G S < S- 0 0 1 -3,-1.8 2,-0.3 212,-0.1 -8,-0.1 0.065 88.1 -93.1-123.5-127.4 14.0 51.3 8.8 36 66 A W - 0 0 74 -2,-0.1 2,-1.0 169,-0.0 -7,-0.1 -0.903 47.2 -73.9-151.6 173.1 11.5 49.3 10.7 37 67 A N - 0 0 112 -2,-0.3 2,-0.2 -6,-0.1 -7,-0.1 -0.692 55.5-140.0 -78.2 104.1 10.8 48.1 14.3 38 68 A I - 0 0 13 -2,-1.0 2,-0.4 1,-0.0 256,-0.1 -0.473 19.4-168.0 -72.7 133.3 13.4 45.3 14.6 39 69 A K - 0 0 179 -2,-0.2 2,-0.3 255,-0.1 -1,-0.0 -0.924 4.0-173.7-117.5 145.8 12.4 42.2 16.4 40 70 A Y - 0 0 59 -2,-0.4 254,-0.1 256,-0.0 3,-0.0 -0.955 30.4-113.1-134.6 157.9 14.6 39.4 17.7 41 71 A D > - 0 0 91 -2,-0.3 3,-2.2 1,-0.1 4,-0.3 -0.815 20.4-150.1 -86.1 115.2 14.2 36.0 19.2 42 72 A P G > S+ 0 0 88 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.796 96.2 60.7 -56.2 -25.5 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 0.391 76.5 90.8 -85.0 3.5 16.4 32.5 22.5 44 74 A K G < S+ 0 0 71 -3,-2.2 2,-0.4 2,-0.0 -1,-0.2 0.868 88.2 49.9 -64.9 -37.6 18.8 33.0 19.5 45 75 A Y S < S+ 0 0 6 -3,-0.7 2,-0.3 -4,-0.3 5,-0.2 -0.838 70.1 148.4-104.1 143.1 21.7 33.5 22.0 46 76 A N B > -F 49 0B 69 3,-1.8 3,-1.4 -2,-0.4 293,-0.0 -0.874 63.4 -68.2-154.1-175.6 22.5 31.0 24.8 47 77 A A T 3 S+ 0 0 74 1,-0.3 3,-0.2 -2,-0.3 -2,-0.0 0.806 133.8 42.1 -52.4 -33.5 25.4 29.6 26.8 48 78 A H T 3 S+ 0 0 185 1,-0.2 -1,-0.3 2,-0.0 2,-0.2 0.510 122.7 38.8 -95.3 -7.2 26.7 27.8 23.7 49 79 A H B < S+F 46 0B 62 -3,-1.4 -3,-1.8 2,-0.0 -1,-0.2 -0.705 76.9 175.9-145.9 87.7 26.1 30.7 21.3 50 80 A K - 0 0 81 -3,-0.2 2,-0.6 -2,-0.2 292,-0.2 -0.563 34.4-113.9 -95.1 154.9 26.9 34.1 22.7 51 81 A L E -g 342 0C 0 290,-2.7 292,-2.6 -2,-0.2 2,-0.5 -0.819 28.2-151.8 -85.9 119.2 26.8 37.5 21.1 52 82 A K E -gh 343 303C 68 250,-3.2 252,-3.3 -2,-0.6 2,-0.5 -0.843 13.4-165.1 -91.6 125.6 30.3 38.9 20.9 53 83 A V E -gh 344 304C 0 290,-2.7 292,-2.2 -2,-0.5 2,-0.6 -0.966 9.5-164.9-119.2 124.7 30.3 42.7 21.0 54 84 A F E -gh 345 305C 20 250,-3.0 252,-2.9 -2,-0.5 2,-0.6 -0.932 5.0-161.3-108.7 112.9 33.2 44.9 20.1 55 85 A V E -gh 346 306C 0 290,-3.0 292,-2.6 -2,-0.6 40,-0.1 -0.849 11.7-163.2 -93.8 119.0 32.9 48.5 21.2 56 86 A V E - h 0 307C 0 250,-2.6 252,-2.8 -2,-0.6 292,-0.1 -0.865 6.5-148.2-115.1 99.1 35.4 50.4 19.1 57 87 A P E + h 0 308C 0 0, 0.0 40,-1.9 0, 0.0 2,-0.3 -0.424 29.3 162.5 -67.5 140.1 36.3 53.9 20.3 58 88 A H E -ih 97 309C 2 250,-1.9 252,-0.6 38,-0.2 2,-0.4 -0.962 31.2-149.5-152.7 166.3 37.2 56.4 17.6 59 89 A S E - h 0 310C 6 38,-0.5 2,-0.7 -2,-0.3 40,-0.3 -0.929 17.2-141.5-145.9 114.0 37.5 60.1 16.8 60 90 A H E - h 0 311C 3 250,-1.9 252,-2.8 -2,-0.4 2,-0.6 -0.698 22.0-172.4 -83.5 115.0 36.8 61.5 13.4 61 91 A N - 0 0 0 -2,-0.7 42,-0.1 250,-0.2 250,-0.0 -0.890 11.7-150.3-116.1 105.5 39.4 64.2 12.7 62 92 A D - 0 0 4 -2,-0.6 2,-2.3 1,-0.1 3,-0.1 -0.572 12.0-140.5 -75.9 121.2 38.9 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 -0.431 86.6 -19.1 -75.1 65.0 42.2 67.6 8.0 64 94 A G S S+ 0 0 0 -2,-2.3 4,-0.2 4,-0.4 378,-0.2 0.194 82.8 126.5 102.2 131.5 40.4 70.9 7.3 65 95 A W S S+ 0 0 30 2,-2.4 384,-2.7 -3,-0.1 387,-0.2 -0.346 91.6 1.7-169.6 -83.9 36.7 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 0.621 141.6 30.3 -94.8 -14.1 35.5 74.5 9.3 67 97 A Q S S- 0 0 50 -5,-0.1 -2,-2.4 384,-0.0 382,-0.1 -0.881 97.5 -98.6-126.4 166.4 39.0 75.2 10.6 68 98 A T > - 0 0 14 -2,-0.3 4,-2.8 -4,-0.2 -4,-0.4 -0.329 38.7-101.8 -75.4 165.8 42.3 74.7 8.7 69 99 A F H > S+ 0 0 14 -6,-0.3 4,-2.4 1,-0.2 -5,-0.2 0.937 124.9 45.5 -49.1 -52.1 44.4 71.6 9.3 70 100 A E H > S+ 0 0 66 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.888 111.4 52.1 -66.5 -37.7 46.8 73.6 11.5 71 101 A E H > S+ 0 0 68 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.941 112.7 44.5 -62.5 -48.4 43.9 75.3 13.4 72 102 A Y H X>S+ 0 0 7 -4,-2.8 4,-2.8 1,-0.2 5,-2.0 0.886 111.6 54.2 -63.3 -39.2 42.3 71.9 14.2 73 103 A Y H <>S+ 0 0 6 -4,-2.4 5,-2.4 -5,-0.3 6,-0.3 0.945 113.9 40.9 -59.6 -45.4 45.7 70.4 15.1 74 104 A Q H <5S+ 0 0 67 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.875 124.4 35.9 -71.2 -38.1 46.4 73.2 17.6 75 105 A H H <5S- 0 0 94 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.805 137.4 -5.2 -88.1 -29.8 42.9 73.4 19.1 76 106 A D T >X5S+ 0 0 23 -4,-2.8 4,-2.3 -5,-0.3 3,-0.6 0.707 117.9 54.9-129.5 -62.2 41.8 69.7 19.0 77 107 A T H 3> S+ 0 0 75 -3,-0.6 4,-2.7 -6,-0.3 5,-0.3 0.897 110.2 52.6 -74.3 -41.6 45.1 67.1 22.6 80 110 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.943 114.8 42.0 -56.4 -48.8 43.1 64.1 21.4 81 111 A L H X S+ 0 0 1 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.894 114.4 50.4 -70.5 -38.3 46.4 62.3 20.5 82 112 A S H X S+ 0 0 32 -4,-2.0 4,-1.8 -5,-0.3 -1,-0.2 0.903 115.2 43.3 -64.8 -41.6 48.2 63.4 23.6 83 113 A N H X S+ 0 0 14 -4,-2.7 4,-3.1 2,-0.2 5,-0.3 0.855 111.0 55.5 -76.2 -29.5 45.4 62.2 25.8 84 114 A A H X S+ 0 0 3 -4,-2.4 4,-2.5 -5,-0.3 5,-0.4 0.937 107.3 50.0 -61.8 -46.1 45.0 59.0 23.8 85 115 A L H X S+ 0 0 4 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.942 115.8 43.2 -58.7 -45.9 48.6 58.2 24.4 86 116 A R H X S+ 0 0 123 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.955 116.9 43.7 -61.4 -55.4 48.1 58.8 28.2 87 117 A H H X S+ 0 0 16 -4,-3.1 4,-0.9 1,-0.2 7,-0.2 0.810 116.1 46.4 -70.7 -30.5 44.8 57.0 28.6 88 118 A L H >< S+ 0 0 0 -4,-2.5 3,-0.6 -5,-0.3 6,-0.2 0.937 111.5 52.0 -72.2 -47.4 45.7 54.0 26.6 89 119 A H H 3< S+ 0 0 87 -4,-2.1 -2,-0.2 -5,-0.4 -3,-0.2 0.922 116.5 40.9 -50.6 -46.2 49.1 53.7 28.3 90 120 A D H 3< S+ 0 0 108 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.620 116.2 49.5 -81.1 -16.5 47.4 53.8 31.7 91 121 A N X< - 0 0 31 -4,-0.9 3,-2.1 -3,-0.6 -1,-0.2 -0.786 66.2-170.4-128.5 86.0 44.4 51.6 30.8 92 122 A P T 3 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.670 84.0 50.9 -56.8 -22.8 45.6 48.4 29.2 93 123 A E T 3 S+ 0 0 138 2,-0.1 253,-0.2 254,-0.0 2,-0.1 0.560 87.6 100.8 -91.6 -10.5 42.1 47.1 28.1 94 124 A M < - 0 0 2 -3,-2.1 2,-0.3 -6,-0.2 -3,-0.1 -0.493 55.5-165.8 -74.6 146.5 41.1 50.4 26.4 95 125 A K - 0 0 34 -2,-0.1 2,-0.3 -40,-0.1 33,-0.2 -0.864 10.9-177.3-131.6 163.3 41.4 50.6 22.6 96 126 A F E - j 0 128C 0 31,-2.1 33,-2.5 -2,-0.3 2,-0.3 -0.959 13.5-146.9-161.9 139.0 41.3 53.3 20.0 97 127 A I E -ij 58 129C 3 -40,-1.9 -38,-0.5 -2,-0.3 2,-0.4 -0.887 11.4-163.3-112.0 149.4 41.4 53.4 16.2 98 128 A W E + j 0 130C 1 31,-2.2 33,-2.5 -2,-0.3 35,-0.2 -0.998 15.1 171.1-135.5 133.1 43.0 56.2 14.1 99 129 A A + 0 0 7 -2,-0.4 2,-0.9 -40,-0.3 34,-0.4 0.808 56.7 75.7-105.2 -43.2 42.5 56.9 10.4 100 130 A E > - 0 0 3 1,-0.2 4,-1.6 33,-0.1 3,-0.4 -0.662 46.5-179.9 -93.1 101.1 44.1 60.2 9.4 101 131 A I H > S+ 0 0 0 33,-2.5 4,-3.2 -2,-0.9 5,-0.3 0.801 76.4 70.8 -74.8 -24.1 47.9 59.9 9.1 102 132 A S H > S+ 0 0 3 33,-2.2 4,-1.6 32,-0.3 -1,-0.2 0.942 107.9 38.0 -52.0 -47.8 48.4 63.5 8.1 103 133 A Y H > S+ 0 0 0 -3,-0.4 4,-2.5 32,-0.3 -1,-0.2 0.884 115.3 52.5 -69.1 -41.8 47.5 64.4 11.7 104 134 A F H X S+ 0 0 0 -4,-1.6 4,-3.2 1,-0.2 5,-0.2 0.915 109.9 48.0 -65.0 -41.6 49.3 61.5 13.3 105 135 A A H X S+ 0 0 4 -4,-3.2 4,-2.3 2,-0.2 -1,-0.2 0.914 110.7 52.1 -62.9 -43.7 52.6 62.2 11.5 106 136 A R H X S+ 0 0 62 -4,-1.6 4,-0.7 -5,-0.3 -2,-0.2 0.935 115.7 41.8 -55.7 -47.7 52.3 65.9 12.6 107 137 A F H >X S+ 0 0 11 -4,-2.5 3,-1.0 1,-0.2 4,-0.6 0.949 113.0 50.9 -65.7 -51.5 51.8 64.8 16.2 108 138 A Y H >< S+ 0 0 9 -4,-3.2 3,-1.3 1,-0.3 -1,-0.2 0.874 106.1 54.2 -59.9 -42.6 54.4 62.1 16.3 109 139 A H H 3< S+ 0 0 86 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.733 107.1 52.8 -68.0 -20.6 57.2 64.2 14.9 110 140 A D H << S+ 0 0 105 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.532 90.9 102.6 -88.5 -7.9 56.6 66.8 17.6 111 141 A L S << S- 0 0 25 -3,-1.3 2,-0.1 -4,-0.6 -3,-0.0 -0.492 75.7-116.4 -77.1 144.5 56.9 64.2 20.4 112 142 A G > - 0 0 48 -2,-0.2 4,-2.4 1,-0.1 3,-0.3 -0.348 36.0-103.2 -67.0 159.2 59.9 63.7 22.6 113 143 A E H > S+ 0 0 128 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.849 120.4 57.5 -57.8 -38.9 61.7 60.4 22.3 114 144 A N H > S+ 0 0 107 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.923 112.2 41.6 -57.2 -46.2 60.2 59.1 25.6 115 145 A K H > S+ 0 0 82 -3,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.846 109.1 58.5 -71.8 -37.0 56.7 59.6 24.2 116 146 A K H X S+ 0 0 31 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.928 108.7 47.2 -53.4 -46.8 57.5 58.3 20.8 117 147 A L H X S+ 0 0 100 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.894 110.6 50.4 -65.2 -42.0 58.5 55.0 22.5 118 148 A Q H X S+ 0 0 46 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.899 111.3 50.2 -60.2 -41.5 55.4 54.9 24.5 119 149 A M H X S+ 0 0 3 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.935 108.7 50.5 -63.6 -47.1 53.4 55.5 21.3 120 150 A K H X S+ 0 0 96 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.860 109.0 54.6 -58.1 -34.7 55.2 52.7 19.5 121 151 A S H X S+ 0 0 40 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.900 106.5 47.7 -69.7 -42.6 54.4 50.4 22.5 122 152 A I H <>S+ 0 0 3 -4,-1.9 6,-2.2 2,-0.2 5,-1.5 0.744 115.5 47.4 -72.7 -21.8 50.6 51.0 22.5 123 153 A V H ><5S+ 0 0 13 -4,-1.5 3,-1.3 4,-0.2 -2,-0.2 0.909 112.3 48.4 -76.4 -47.9 50.6 50.4 18.7 124 154 A K H 3<5S+ 0 0 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321 351 A D H X S+ 0 0 66 -4,-2.3 4,-2.7 1,-0.2 5,-0.4 0.925 110.3 50.6 -62.0 -48.1 37.3 58.9 31.9 322 352 A V H X S+ 0 0 26 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.888 116.6 40.3 -65.7 -38.4 33.6 59.3 31.5 323 353 A Q H X S+ 0 0 1 -4,-2.3 4,-2.2 2,-0.1 5,-0.2 0.960 119.3 44.3 -73.2 -49.5 33.3 57.0 28.5 324 354 A R H X S+ 0 0 31 -4,-2.6 4,-2.8 -5,-0.3 -2,-0.2 0.932 113.9 46.7 -62.5 -49.4 35.7 54.4 29.7 325 355 A V H X S+ 0 0 37 -4,-2.7 4,-1.9 -5,-0.3 -1,-0.2 0.908 114.3 47.4 -65.9 -40.6 34.5 54.0 33.3 326 356 A N H X S+ 0 0 5 -4,-1.1 4,-1.9 -5,-0.4 -1,-0.2 0.927 114.7 45.6 -67.4 -42.7 30.8 53.9 32.4 327 357 A Y H X S+ 0 0 2 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.897 109.1 56.6 -65.9 -38.9 31.4 51.3 29.6 328 358 A E H X S+ 0 0 71 -4,-2.8 4,-2.5 -5,-0.2 -1,-0.2 0.906 107.2 49.1 -57.8 -40.9 33.6 49.3 31.9 329 359 A R H X S+ 0 0 93 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.896 111.7 49.0 -67.0 -40.2 30.8 49.1 34.5 330 360 A L H X S+ 0 0 0 -4,-1.9 4,-3.1 2,-0.2 5,-0.3 0.932 112.2 48.1 -61.2 -46.5 28.4 48.0 31.8 331 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