==== 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-JAN-01 1HTY . COMPND 2 MOLECULE: ALPHA-MANNOSIDASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; . AUTHOR J.M.H.VAN DEN ELSEN,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) . 35953.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 665 65.6 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 . 207 20.4 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 . 94 9.3 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 . 192 18.9 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 . 7 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 0 120 0, 0.0 2,-0.1 0, 0.0 1000,-0.0 0.000 360.0 360.0 360.0 138.6 43.5 37.3 -18.7 2 32 A Q - 0 0 69 1001,-0.1 2,-0.8 1,-0.1 220,-0.0 -0.414 360.0-117.4 -70.7 147.4 39.8 37.6 -17.8 3 33 A D - 0 0 53 1,-0.1 4,-0.5 -2,-0.1 220,-0.2 -0.796 28.3-172.7 -87.2 113.2 37.5 38.9 -20.5 4 34 A V S S+ 0 0 4 -2,-0.8 -1,-0.1 1,-0.1 877,-0.1 0.362 76.5 45.1 -90.2 7.1 36.1 42.1 -19.0 5 35 A V S S+ 0 0 13 869,-0.1 871,-0.5 870,-0.1 -1,-0.1 0.796 111.0 37.1-114.9 -46.3 33.6 42.6 -21.8 6 36 A Q S S+ 0 0 119 869,-0.2 2,-0.6 1,-0.1 -2,-0.1 0.505 98.4 74.4 -94.4 -6.2 31.7 39.5 -22.8 7 37 A D - 0 0 80 -4,-0.5 -1,-0.1 214,-0.1 216,-0.1 -0.891 67.7-149.8-114.0 105.5 31.1 37.7 -19.5 8 38 A V - 0 0 58 -2,-0.6 213,-0.1 1,-0.1 871,-0.1 -0.586 27.3-120.9 -72.7 116.7 28.4 39.2 -17.3 9 39 A P - 0 0 14 0, 0.0 2,-0.8 0, 0.0 214,-0.1 -0.248 15.1-132.9 -58.9 142.5 29.4 38.5 -13.6 10 40 A N + 0 0 144 213,-0.3 2,-0.3 2,-0.0 3,-0.0 -0.867 39.7 163.0-100.5 105.9 26.9 36.6 -11.6 11 41 A V - 0 0 21 -2,-0.8 3,-0.2 1,-0.1 359,-0.1 -0.890 46.5-129.6-124.1 155.2 26.5 38.4 -8.2 12 42 A D S S+ 0 0 105 357,-0.3 2,-0.4 -2,-0.3 358,-0.2 0.870 101.3 27.8 -68.3 -37.8 23.9 38.2 -5.5 13 43 A V E +a 370 0A 7 356,-1.9 358,-2.1 -3,-0.0 2,-0.5 -0.984 63.1 179.3-130.6 120.6 23.5 42.0 -5.4 14 44 A Q E > -a 371 0A 26 -2,-0.4 4,-2.6 356,-0.2 3,-0.4 -0.980 22.8-146.0-119.8 114.2 24.2 44.2 -8.5 15 45 A X H > S+ 0 0 5 356,-2.4 4,-2.3 -2,-0.5 357,-0.1 0.774 95.2 51.7 -54.3 -34.6 23.5 47.8 -7.6 16 46 A L H > S+ 0 0 34 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.917 113.9 45.6 -69.3 -40.5 22.1 48.9 -10.9 17 47 A E H > S+ 0 0 86 -3,-0.4 4,-1.5 2,-0.2 -2,-0.2 0.907 112.5 50.7 -67.3 -41.2 19.7 46.0 -10.9 18 48 A L H X S+ 0 0 6 -4,-2.6 4,-2.6 1,-0.2 3,-0.3 0.919 108.4 52.4 -62.8 -42.8 18.7 46.7 -7.3 19 49 A Y H < S+ 0 0 19 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.864 105.5 55.3 -60.8 -35.8 18.1 50.4 -8.1 20 50 A D H < S+ 0 0 82 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.869 115.7 37.7 -65.7 -36.2 15.8 49.3 -10.9 21 51 A R H < S+ 0 0 134 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.792 94.9 97.2 -86.3 -32.5 13.7 47.3 -8.5 22 52 A X < - 0 0 7 -4,-2.6 181,-0.0 -5,-0.2 180,-0.0 -0.259 56.5-156.1 -62.2 146.0 13.7 49.5 -5.4 23 53 A S - 0 0 82 179,-0.1 -1,-0.1 2,-0.1 -4,-0.0 0.606 19.3-147.6 -96.5 -16.2 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 0.776 28.3 176.1 53.2 32.5 12.8 54.2 -2.5 25 55 A K - 0 0 156 1,-0.1 2,-1.0 177,-0.1 -1,-0.2 -0.507 24.7-146.4 -70.9 132.7 9.8 55.0 -0.3 26 56 A D + 0 0 83 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 -0.663 35.7 159.3-101.2 77.3 10.6 57.3 2.5 27 57 A I - 0 0 99 -2,-1.0 2,-0.7 7,-0.1 -2,-0.0 -0.697 49.9-101.5-102.1 153.4 8.3 56.2 5.3 28 58 A D - 0 0 116 -2,-0.3 6,-0.2 1,-0.2 5,-0.1 -0.602 33.9-173.9 -72.4 109.6 8.6 56.7 9.1 29 59 A G - 0 0 12 4,-2.5 3,-0.4 -2,-0.7 2,-0.3 0.370 42.2-109.7 -88.4 6.1 9.9 53.3 10.3 30 60 A G S S- 0 0 24 3,-0.3 -1,-0.3 1,-0.2 5,-0.1 -0.824 82.4 -7.3 106.1-145.9 9.6 54.3 14.0 31 61 A V S S+ 0 0 57 -2,-0.3 2,-1.4 1,-0.3 -1,-0.2 0.859 137.1 57.4 -57.2 -34.8 12.5 55.0 16.4 32 62 A W S > S- 0 0 14 -3,-0.4 3,-2.2 1,-0.2 -1,-0.3 -0.789 88.0-165.1 -94.4 87.7 14.6 53.8 13.5 33 63 A K T 3 S+ 0 0 121 -2,-1.4 -4,-2.5 1,-0.3 -3,-0.3 0.762 80.6 35.2 -47.0 -36.9 13.2 56.5 11.3 34 64 A Q T 3 S+ 0 0 25 -6,-0.2 -1,-0.3 -5,-0.1 171,-0.2 0.204 123.4 38.9-108.5 17.1 14.4 55.0 8.0 35 65 A G S < S- 0 0 1 -3,-2.2 2,-0.3 212,-0.1 -8,-0.1 0.043 88.3 -94.3-127.1-124.1 14.1 51.3 8.9 36 66 A W - 0 0 71 -2,-0.1 2,-1.0 169,-0.0 -7,-0.1 -0.932 47.9 -71.1-156.7 172.2 11.5 49.3 10.8 37 67 A N - 0 0 106 -2,-0.3 2,-0.2 -6,-0.1 -7,-0.1 -0.641 54.9-140.0 -77.1 104.2 10.9 48.0 14.4 38 68 A I - 0 0 12 -2,-1.0 2,-0.4 1,-0.0 257,-0.1 -0.437 19.9-168.6 -69.0 132.4 13.5 45.3 14.7 39 69 A K - 0 0 180 -2,-0.2 2,-0.3 255,-0.1 -1,-0.0 -0.926 4.9-176.6-121.5 146.2 12.4 42.1 16.5 40 70 A Y - 0 0 64 -2,-0.4 254,-0.1 256,-0.0 3,-0.0 -0.973 31.1-113.7-142.2 156.3 14.6 39.3 17.7 41 71 A D > - 0 0 92 -2,-0.3 3,-3.0 1,-0.2 4,-0.3 -0.812 19.7-151.9 -92.0 110.5 14.2 35.9 19.4 42 72 A P G > S+ 0 0 82 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.765 95.6 62.5 -51.7 -26.2 15.7 36.1 22.9 43 73 A L G 3 S+ 0 0 143 1,-0.2 -2,-0.0 -3,-0.0 0, 0.0 0.458 77.2 90.2 -80.7 -0.4 16.5 32.4 22.6 44 74 A K G < S+ 0 0 67 -3,-3.0 2,-0.4 1,-0.1 -1,-0.2 0.888 89.4 45.7 -62.6 -39.2 18.7 33.0 19.6 45 75 A Y S < S+ 0 0 8 -3,-0.7 2,-0.3 -4,-0.3 5,-0.2 -0.864 71.5 149.1-109.1 141.7 21.7 33.3 21.9 46 76 A N B > -F 49 0B 59 3,-1.9 3,-1.9 -2,-0.4 293,-0.0 -0.870 63.3 -67.9-152.4-176.2 22.5 31.0 24.8 47 77 A A T 3 S+ 0 0 67 1,-0.3 3,-0.3 -2,-0.3 292,-0.0 0.801 134.3 44.6 -51.8 -32.1 25.4 29.6 26.9 48 78 A H T 3 S+ 0 0 175 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.524 124.5 33.2 -91.6 -7.0 26.5 27.6 23.8 49 79 A H B < S+F 46 0B 60 -3,-1.9 -3,-1.9 2,-0.0 -1,-0.3 -0.663 77.1 177.2-151.7 88.0 26.1 30.5 21.4 50 80 A K - 0 0 100 -3,-0.3 2,-0.6 -5,-0.2 292,-0.2 -0.542 33.6-113.6 -93.8 158.6 26.8 34.0 22.8 51 81 A L E -g 342 0C 0 290,-2.5 292,-2.3 -2,-0.2 2,-0.6 -0.824 28.1-150.3 -91.8 119.2 26.8 37.4 21.1 52 82 A K E -gh 343 303C 71 250,-3.4 252,-3.5 -2,-0.6 2,-0.5 -0.834 14.3-164.3 -93.8 120.0 30.3 38.8 21.0 53 83 A V E -gh 344 304C 0 290,-2.4 292,-2.1 -2,-0.6 2,-0.6 -0.921 10.0-165.6-113.1 125.7 30.3 42.5 21.1 54 84 A F E -gh 345 305C 22 250,-2.9 252,-3.0 -2,-0.5 2,-0.7 -0.929 5.3-160.9-110.8 112.5 33.2 44.8 20.2 55 85 A V E -gh 346 306C 0 290,-2.7 292,-2.3 -2,-0.6 40,-0.1 -0.849 12.5-161.9 -92.5 115.9 32.9 48.4 21.3 56 86 A V E - h 0 307C 0 250,-2.1 252,-2.7 -2,-0.7 292,-0.1 -0.845 6.4-147.2-108.8 101.8 35.4 50.3 19.2 57 87 A P E + h 0 308C 0 0, 0.0 40,-1.9 0, 0.0 2,-0.3 -0.404 30.3 163.2 -65.7 135.7 36.4 53.8 20.4 58 88 A H E -ih 97 309C 2 250,-1.9 252,-0.6 38,-0.2 2,-0.4 -0.963 31.1-149.8-150.5 165.6 37.2 56.3 17.6 59 89 A S E - h 0 310C 7 38,-0.5 2,-0.8 -2,-0.3 40,-0.3 -0.940 17.4-140.6-142.9 114.5 37.6 60.0 16.9 60 90 A H E - h 0 311C 2 250,-2.1 252,-2.8 -2,-0.4 2,-0.7 -0.680 22.8-174.3 -80.9 111.9 36.7 61.4 13.5 61 91 A N - 0 0 0 -2,-0.8 42,-0.1 250,-0.2 39,-0.1 -0.879 11.9-152.9-113.2 103.5 39.4 64.0 12.7 62 92 A D - 0 0 3 -2,-0.7 2,-3.1 1,-0.1 3,-0.1 -0.597 15.6-136.7 -75.5 122.4 38.8 66.1 9.6 63 93 A P S S- 0 0 0 0, 0.0 6,-0.3 0, 0.0 377,-0.1 -0.347 86.2 -21.7 -75.8 61.6 42.1 67.3 8.1 64 94 A G S S+ 0 0 0 -2,-3.1 4,-0.2 4,-0.3 378,-0.1 0.147 80.0 129.8 106.0 136.2 40.3 70.7 7.5 65 95 A W S S+ 0 0 30 2,-2.4 384,-2.8 -3,-0.1 387,-0.2 -0.281 90.9 4.2-173.0 -83.7 36.7 71.6 7.2 66 96 A I S S+ 0 0 61 382,-0.2 2,-0.3 2,-0.1 385,-0.1 0.506 141.4 31.5 -96.2 -6.2 35.4 74.5 9.4 67 97 A Q S S- 0 0 46 382,-0.0 -2,-2.4 384,-0.0 382,-0.1 -0.920 97.4 -99.4-139.1 159.8 39.0 75.0 10.6 68 98 A T > - 0 0 16 -2,-0.3 4,-2.7 -4,-0.2 -4,-0.3 -0.298 39.0-101.4 -76.7 169.4 42.2 74.5 8.7 69 99 A F H > S+ 0 0 14 -6,-0.3 4,-2.3 1,-0.2 -5,-0.2 0.943 124.9 44.3 -54.1 -51.5 44.4 71.4 9.3 70 100 A E H > S+ 0 0 62 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.867 111.3 53.2 -65.0 -37.6 46.8 73.3 11.5 71 101 A E H > S+ 0 0 68 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.943 112.2 44.4 -63.6 -47.5 44.0 75.1 13.4 72 102 A Y H X>S+ 0 0 5 -4,-2.7 4,-3.0 1,-0.2 5,-1.8 0.886 111.9 54.6 -62.9 -39.3 42.3 71.7 14.2 73 103 A Y H <>S+ 0 0 5 -4,-2.3 5,-2.4 -5,-0.3 6,-0.3 0.944 113.9 39.7 -60.2 -47.9 45.7 70.2 15.1 74 104 A Q H <5S+ 0 0 64 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.894 124.6 37.2 -68.7 -41.6 46.4 73.0 17.6 75 105 A H H <5S- 0 0 98 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.806 137.8 -6.5 -83.2 -32.0 42.9 73.2 19.1 76 106 A D T >X5S+ 0 0 24 -4,-3.0 4,-2.1 -5,-0.3 3,-0.8 0.689 117.9 55.9-128.8 -63.1 41.8 69.6 19.1 77 107 A T H 3> S+ 0 0 76 -3,-0.8 4,-2.6 -6,-0.3 5,-0.3 0.879 110.4 52.5 -76.3 -38.8 45.2 67.0 22.6 80 110 A I H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.942 115.2 41.2 -61.0 -47.7 43.2 64.0 21.4 81 111 A L H X S+ 0 0 2 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.869 114.2 51.9 -70.0 -36.4 46.4 62.1 20.5 82 112 A S H X S+ 0 0 29 -4,-1.8 4,-1.8 -5,-0.3 -2,-0.2 0.917 114.9 41.8 -67.0 -42.6 48.3 63.2 23.6 83 113 A N H X S+ 0 0 13 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.791 110.1 57.9 -76.2 -24.9 45.5 62.1 25.9 84 114 A A H X S+ 0 0 3 -4,-1.7 4,-2.5 -5,-0.3 5,-0.4 0.920 106.8 49.8 -67.5 -41.4 45.0 58.9 23.9 85 115 A L H X S+ 0 0 4 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.933 115.2 42.9 -61.4 -46.8 48.7 58.0 24.5 86 116 A R H X S+ 0 0 120 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.953 117.5 43.9 -65.6 -51.9 48.3 58.7 28.2 87 117 A H H X S+ 0 0 17 -4,-2.9 4,-1.1 2,-0.2 7,-0.2 0.868 115.3 46.7 -65.0 -39.0 45.0 56.9 28.8 88 118 A L H < S+ 0 0 1 -4,-2.5 3,-0.4 -5,-0.3 6,-0.2 0.917 111.9 52.5 -69.4 -40.9 45.8 53.9 26.7 89 119 A H H < S+ 0 0 88 -4,-1.8 -2,-0.2 -5,-0.4 -1,-0.2 0.933 115.0 41.6 -58.5 -45.0 49.1 53.6 28.4 90 120 A D H < S+ 0 0 106 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.608 116.6 48.7 -80.0 -13.4 47.5 53.7 31.8 91 121 A N >< - 0 0 31 -4,-1.1 3,-2.0 -3,-0.4 -1,-0.2 -0.773 66.4-170.2-131.4 87.4 44.5 51.4 30.9 92 122 A P T 3 S+ 0 0 74 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.691 84.6 51.2 -47.8 -30.3 45.7 48.2 29.2 93 123 A E T 3 S+ 0 0 136 2,-0.1 253,-0.2 254,-0.0 2,-0.1 0.592 86.9 101.1 -88.8 -11.0 42.2 47.0 28.2 94 124 A X < - 0 0 3 -3,-2.0 2,-0.3 -6,-0.2 -3,-0.1 -0.475 55.8-164.0 -74.2 146.6 41.2 50.3 26.6 95 125 A K - 0 0 29 -40,-0.1 2,-0.3 -2,-0.1 33,-0.2 -0.862 12.4-180.0-129.3 163.8 41.3 50.5 22.8 96 126 A F E - j 0 128C 0 31,-2.1 33,-2.5 -2,-0.3 2,-0.3 -0.947 13.9-147.7-164.0 137.9 41.3 53.2 20.1 97 127 A I E -ij 58 129C 3 -40,-1.9 -38,-0.5 -2,-0.3 2,-0.4 -0.871 11.0-163.5-112.7 149.4 41.4 53.3 16.3 98 128 A W E + j 0 130C 1 31,-2.2 33,-2.5 -2,-0.3 35,-0.2 -0.997 15.5 170.1-134.9 134.2 43.0 56.0 14.2 99 129 A A + 0 0 8 -2,-0.4 2,-1.1 -40,-0.3 34,-0.4 0.824 56.6 76.5-108.9 -43.6 42.5 56.8 10.4 100 130 A E >> + 0 0 3 1,-0.2 4,-1.6 33,-0.1 3,-0.6 -0.617 46.6 179.2 -82.4 97.6 44.1 60.1 9.4 101 131 A I H 3> S+ 0 0 0 33,-2.3 4,-3.1 -2,-1.1 5,-0.3 0.752 75.6 70.9 -69.2 -24.4 47.9 59.7 9.2 102 132 A S H 3> S+ 0 0 4 33,-2.2 4,-1.6 32,-0.3 -1,-0.2 0.943 107.5 38.9 -55.7 -45.0 48.4 63.4 8.1 103 133 A Y H <> S+ 0 0 0 -3,-0.6 4,-2.0 32,-0.3 -2,-0.2 0.897 114.7 52.7 -70.8 -42.9 47.5 64.3 11.7 104 134 A F H X S+ 0 0 0 -4,-1.6 4,-3.2 1,-0.2 5,-0.2 0.902 110.4 47.2 -62.5 -40.9 49.3 61.4 13.3 105 135 A A H X S+ 0 0 3 -4,-3.1 4,-2.1 2,-0.2 -1,-0.2 0.914 109.8 53.7 -66.2 -41.6 52.6 62.2 11.6 106 136 A R H < S+ 0 0 65 -4,-1.6 4,-0.3 -5,-0.3 -1,-0.2 0.880 116.4 40.2 -58.4 -38.8 52.2 65.9 12.5 107 137 A F H >X S+ 0 0 11 -4,-2.0 3,-1.5 2,-0.2 4,-0.6 0.948 112.0 52.9 -74.9 -53.8 51.8 64.8 16.1 108 138 A Y H >< S+ 0 0 9 -4,-3.2 3,-1.4 1,-0.3 -2,-0.2 0.869 104.5 54.9 -52.4 -45.8 54.4 62.0 16.3 109 139 A H T 3< S+ 0 0 82 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.681 106.6 52.8 -66.4 -16.3 57.3 64.1 14.9 110 140 A D T <4 S+ 0 0 107 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.533 91.1 101.5 -93.9 -8.1 56.7 66.7 17.7 111 141 A L S << S- 0 0 28 -3,-1.4 2,-0.1 -4,-0.6 -3,-0.0 -0.456 76.5-115.1 -78.0 148.0 56.8 64.0 20.4 112 142 A G > - 0 0 46 -2,-0.1 4,-2.4 1,-0.1 3,-0.3 -0.383 34.3-103.2 -75.5 161.4 59.9 63.5 22.6 113 143 A E H > S+ 0 0 119 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.860 120.8 56.3 -53.9 -40.6 61.8 60.2 22.3 114 144 A N H > S+ 0 0 100 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.932 112.0 41.8 -58.5 -47.0 60.3 58.9 25.5 115 145 A K H > S+ 0 0 74 -3,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.836 108.8 58.8 -70.5 -34.7 56.7 59.5 24.3 116 146 A K H X S+ 0 0 43 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.921 108.0 47.9 -59.9 -42.1 57.5 58.1 20.8 117 147 A L H X S+ 0 0 95 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.893 110.5 49.9 -65.5 -41.5 58.6 54.9 22.5 118 148 A Q H X S+ 0 0 49 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.901 111.8 50.1 -63.9 -38.7 55.4 54.8 24.6 119 149 A X H X S+ 0 0 4 -4,-2.7 4,-1.2 1,-0.2 -2,-0.2 0.928 108.8 50.1 -65.3 -45.3 53.4 55.4 21.4 120 150 A K H X S+ 0 0 90 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.862 109.2 54.9 -61.8 -33.3 55.1 52.6 19.5 121 151 A S H X S+ 0 0 42 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.913 106.0 47.7 -68.6 -43.9 54.4 50.3 22.4 122 152 A I H <>S+ 0 0 3 -4,-1.9 6,-2.2 2,-0.2 5,-1.5 0.708 115.4 47.9 -72.0 -16.6 50.7 50.8 22.6 123 153 A V H ><5S+ 0 0 13 -4,-1.2 3,-1.2 4,-0.2 -2,-0.2 0.890 111.9 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