==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-JUN-04 1TQV . COMPND 2 MOLECULE: ALPHA-MANNOSIDASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; . AUTHOR D.A.KUNTZ,A.GHAVAMI,B.D.JOHNSTON,B.M.PINTO,D.R.ROSE . 1014 1 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35769.0 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 . 89 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 8.3 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 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 0 121 0, 0.0 2,-0.0 0, 0.0 1000,-0.0 0.000 360.0 360.0 360.0 132.1 43.4 37.2 -18.7 2 32 A Q - 0 0 61 1001,-0.1 2,-0.7 1,-0.1 220,-0.0 -0.323 360.0-118.6 -63.2 148.2 39.7 37.5 -17.8 3 33 A D - 0 0 55 1,-0.1 4,-0.4 2,-0.0 220,-0.2 -0.815 28.6-172.4 -89.5 119.4 37.4 38.8 -20.5 4 34 A V S S+ 0 0 4 -2,-0.7 -1,-0.1 2,-0.1 877,-0.1 0.374 75.3 45.5 -97.9 6.2 36.0 42.0 -19.1 5 35 A V S S+ 0 0 13 869,-0.1 871,-0.5 870,-0.1 876,-0.1 0.801 110.6 38.7-110.8 -48.7 33.5 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 0.520 96.9 71.1 -90.8 -9.5 31.6 39.4 -22.8 7 37 A D - 0 0 81 -4,-0.4 -1,-0.1 214,-0.2 216,-0.1 -0.928 69.8-144.5-112.9 113.0 30.9 37.5 -19.6 8 38 A V - 0 0 58 -2,-0.6 213,-0.1 871,-0.1 871,-0.1 -0.608 26.8-120.9 -74.7 116.0 28.3 39.1 -17.3 9 39 A P - 0 0 12 0, 0.0 2,-0.8 0, 0.0 214,-0.1 -0.256 16.7-134.2 -56.0 142.4 29.3 38.4 -13.7 10 40 A N + 0 0 141 213,-0.3 2,-0.3 -3,-0.0 3,-0.1 -0.875 39.5 163.0 -99.2 109.4 26.8 36.4 -11.6 11 41 A V - 0 0 21 -2,-0.8 3,-0.1 1,-0.1 359,-0.1 -0.908 47.2-126.4-128.1 157.2 26.5 38.2 -8.3 12 42 A D S S+ 0 0 101 -2,-0.3 2,-0.4 1,-0.2 358,-0.2 0.883 102.0 24.9 -67.2 -38.4 23.9 38.1 -5.5 13 43 A V E -a 370 0A 4 356,-1.9 358,-1.8 -3,-0.1 2,-0.5 -0.994 64.4-177.1-130.2 122.7 23.4 41.9 -5.5 14 44 A Q E > -a 371 0A 29 -2,-0.4 4,-2.9 356,-0.2 3,-0.4 -0.977 21.7-145.0-121.3 114.4 24.1 44.0 -8.6 15 45 A M H > S+ 0 0 5 356,-2.4 4,-2.2 -2,-0.5 357,-0.1 0.770 95.6 49.8 -54.5 -36.4 23.5 47.6 -7.7 16 46 A L H > S+ 0 0 34 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.913 115.3 46.4 -68.6 -39.4 22.1 48.8 -11.0 17 47 A E H > S+ 0 0 86 -3,-0.4 4,-1.6 2,-0.2 -2,-0.2 0.930 111.7 50.3 -66.4 -44.1 19.7 45.9 -10.9 18 48 A L H X S+ 0 0 4 -4,-2.9 4,-2.6 1,-0.2 3,-0.3 0.921 109.5 52.1 -60.3 -41.4 18.7 46.5 -7.3 19 49 A Y H < S+ 0 0 21 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.875 105.2 54.8 -61.9 -39.0 18.1 50.2 -8.1 20 50 A D H < S+ 0 0 82 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.869 116.1 38.7 -64.0 -35.0 15.8 49.2 -11.0 21 51 A R H < S+ 0 0 133 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.2 0.835 95.0 95.1 -83.5 -38.5 13.7 47.1 -8.6 22 52 A M < - 0 0 8 -4,-2.6 181,-0.0 -5,-0.2 180,-0.0 -0.221 58.4-152.8 -61.0 147.3 13.6 49.2 -5.4 23 53 A S - 0 0 82 179,-0.1 -1,-0.1 2,-0.1 -4,-0.0 0.655 16.9-148.9 -93.7 -20.6 10.8 51.5 -4.6 24 54 A F + 0 0 21 1,-0.2 2,-0.3 178,-0.1 178,-0.1 0.776 29.1 173.1 56.3 31.3 12.7 54.1 -2.5 25 55 A K - 0 0 153 1,-0.1 2,-1.1 177,-0.1 -1,-0.2 -0.547 26.6-145.2 -74.0 133.8 9.6 54.9 -0.4 26 56 A D + 0 0 81 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 -0.668 35.1 160.4 -99.4 81.2 10.5 57.1 2.5 27 57 A I - 0 0 96 -2,-1.1 2,-0.7 7,-0.1 -2,-0.0 -0.737 49.2-101.0-105.2 154.4 8.2 55.9 5.3 28 58 A D - 0 0 114 -2,-0.3 6,-0.2 1,-0.2 5,-0.1 -0.575 32.8-173.3 -69.2 108.4 8.5 56.5 9.0 29 59 A G - 0 0 10 4,-2.4 3,-0.5 -2,-0.7 2,-0.3 0.370 42.4-112.2 -87.8 7.2 9.8 53.2 10.3 30 60 A G S S- 0 0 25 3,-0.3 -1,-0.3 1,-0.2 5,-0.1 -0.769 81.9 -7.2 100.6-146.8 9.4 54.2 14.0 31 61 A V S S+ 0 0 61 -2,-0.3 2,-1.6 1,-0.3 -1,-0.2 0.900 137.4 57.4 -55.1 -38.4 12.4 54.9 16.4 32 62 A W S > S- 0 0 15 -3,-0.5 3,-1.9 1,-0.2 -1,-0.3 -0.744 88.0-166.6 -89.4 91.2 14.5 53.5 13.5 33 63 A K T 3 S+ 0 0 123 -2,-1.6 -4,-2.4 1,-0.3 -3,-0.3 0.775 78.9 36.7 -53.7 -33.0 13.1 56.2 11.3 34 64 A Q T 3 S+ 0 0 25 -6,-0.2 -1,-0.3 -5,-0.1 171,-0.2 0.258 123.4 35.1-109.0 16.6 14.4 54.7 8.0 35 65 A G S < S- 0 0 1 -3,-1.9 2,-0.3 212,-0.1 -8,-0.1 0.045 88.9 -94.4-128.8-121.9 13.9 51.1 8.8 36 66 A W - 0 0 69 -2,-0.1 2,-0.8 169,-0.0 -7,-0.1 -0.913 49.9 -68.6-158.0 172.8 11.3 49.1 10.8 37 67 A N - 0 0 100 -2,-0.3 2,-0.2 -6,-0.1 -7,-0.1 -0.639 54.1-140.0 -76.3 110.5 10.9 47.8 14.4 38 68 A I - 0 0 11 -2,-0.8 2,-0.3 1,-0.0 256,-0.1 -0.488 20.1-170.1 -74.3 136.6 13.5 45.0 14.7 39 69 A K - 0 0 171 -2,-0.2 2,-0.3 255,-0.1 -1,-0.0 -0.918 3.6-174.9-123.3 149.7 12.3 42.0 16.6 40 70 A Y - 0 0 64 -2,-0.3 254,-0.1 256,-0.0 3,-0.1 -0.949 30.9-110.6-140.7 162.9 14.5 39.1 17.7 41 71 A D > - 0 0 91 -2,-0.3 3,-2.7 1,-0.1 4,-0.4 -0.851 20.7-149.9 -95.7 112.5 14.1 35.7 19.3 42 72 A P G > S+ 0 0 83 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.806 95.8 61.8 -54.1 -24.4 15.6 35.9 22.8 43 73 A L G 3 S+ 0 0 132 1,-0.2 -2,-0.0 -3,-0.1 0, 0.0 0.536 77.4 89.7 -80.0 -3.2 16.4 32.2 22.6 44 74 A K G < S+ 0 0 64 -3,-2.7 2,-0.4 2,-0.0 -1,-0.2 0.909 89.0 47.1 -59.2 -40.3 18.7 32.8 19.6 45 75 A Y S < S+ 0 0 8 -3,-0.7 2,-0.3 -4,-0.4 5,-0.2 -0.818 73.4 144.5-105.1 141.5 21.7 33.3 22.0 46 76 A N B > -F 49 0B 67 3,-2.0 3,-2.0 -2,-0.4 293,-0.0 -0.901 63.8 -60.6-157.6-175.4 22.4 30.9 24.8 47 77 A A T 3 S+ 0 0 70 1,-0.3 3,-0.2 -2,-0.3 -2,-0.0 0.792 133.8 38.3 -48.0 -35.6 25.2 29.3 26.8 48 78 A H T 3 S+ 0 0 184 1,-0.2 -1,-0.3 0, 0.0 2,-0.2 0.452 123.5 40.4 -99.7 1.3 26.6 27.6 23.8 49 79 A H B < S+F 46 0B 60 -3,-2.0 -3,-2.0 2,-0.0 -1,-0.2 -0.675 75.6 176.0-149.0 85.1 26.0 30.4 21.4 50 80 A K - 0 0 83 -3,-0.2 2,-0.7 -5,-0.2 292,-0.2 -0.540 35.2-114.9 -91.2 160.1 26.8 33.8 22.8 51 81 A L E -g 342 0C 0 290,-2.3 292,-2.3 289,-0.2 2,-0.6 -0.852 29.0-150.9 -92.4 113.3 26.7 37.3 21.1 52 82 A K E -gh 343 303C 70 250,-3.2 252,-3.2 -2,-0.7 2,-0.5 -0.803 14.7-161.1 -88.1 121.5 30.3 38.5 21.1 53 83 A V E -gh 344 304C 0 290,-3.1 292,-2.1 -2,-0.6 2,-0.6 -0.908 10.8-165.6-113.8 128.7 30.2 42.3 21.2 54 84 A F E -gh 345 305C 8 250,-3.1 252,-3.0 -2,-0.5 2,-0.7 -0.945 3.9-162.7-113.0 113.0 33.1 44.6 20.2 55 85 A V E -gh 346 306C 0 290,-2.7 292,-2.4 -2,-0.6 40,-0.1 -0.873 12.1-161.9 -94.9 116.6 32.8 48.2 21.2 56 86 A V E - h 0 307C 0 250,-2.3 252,-2.8 -2,-0.7 292,-0.1 -0.829 6.2-148.3-110.1 102.1 35.3 50.1 19.1 57 87 A P E + h 0 308C 0 0, 0.0 40,-1.9 0, 0.0 2,-0.3 -0.407 30.1 161.9 -66.2 137.4 36.3 53.6 20.4 58 88 A H E -ih 97 309C 2 250,-1.9 252,-0.6 38,-0.2 2,-0.4 -0.967 30.9-148.4-153.2 163.9 37.1 56.1 17.6 59 89 A S E - h 0 310C 6 38,-0.5 2,-0.8 -2,-0.3 40,-0.3 -0.943 17.0-139.2-143.0 116.0 37.5 59.8 16.9 60 90 A H E - h 0 311C 2 250,-2.0 252,-2.8 -2,-0.4 2,-0.7 -0.669 23.8-176.5 -79.9 109.2 36.7 61.3 13.5 61 91 A N - 0 0 0 -2,-0.8 42,-0.1 250,-0.2 39,-0.1 -0.864 12.6-153.6-112.8 101.8 39.4 63.9 12.7 62 92 A D - 0 0 1 -2,-0.7 2,-3.1 1,-0.1 3,-0.1 -0.561 17.3-133.7 -75.2 122.9 38.8 65.8 9.5 63 93 A P S S- 0 0 0 0, 0.0 6,-0.3 0, 0.0 377,-0.1 -0.391 86.8 -21.9 -75.7 65.6 42.1 67.1 8.0 64 94 A G S S+ 0 0 0 -2,-3.1 4,-0.2 4,-0.3 378,-0.1 0.138 81.3 130.3 103.9 140.2 40.4 70.5 7.5 65 95 A W S S+ 0 0 30 2,-2.2 384,-2.8 -3,-0.1 387,-0.2 -0.342 90.2 3.1-176.9 -83.7 36.7 71.3 7.3 66 96 A I S S+ 0 0 46 382,-0.2 2,-0.3 -4,-0.1 385,-0.1 0.547 141.2 33.2 -97.9 -8.1 35.4 74.2 9.5 67 97 A Q S S- 0 0 39 384,-0.0 -2,-2.2 382,-0.0 382,-0.1 -0.911 98.7-101.3-133.2 158.0 39.0 74.8 10.7 68 98 A T > - 0 0 15 -2,-0.3 4,-2.9 -4,-0.2 -4,-0.3 -0.338 40.0-100.1 -74.5 166.9 42.2 74.4 8.7 69 99 A F H > S+ 0 0 15 -6,-0.3 4,-2.5 1,-0.2 -5,-0.2 0.937 124.8 45.2 -49.4 -54.0 44.3 71.2 9.3 70 100 A E H > S+ 0 0 64 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.858 111.2 51.8 -64.3 -37.4 46.8 73.2 11.6 71 101 A E H > S+ 0 0 64 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.929 112.9 45.9 -64.6 -46.2 44.0 74.9 13.6 72 102 A Y H X>S+ 0 0 7 -4,-2.9 4,-2.6 1,-0.2 5,-1.8 0.914 112.4 51.8 -62.1 -41.5 42.3 71.5 14.2 73 103 A Y H <>S+ 0 0 5 -4,-2.5 5,-2.3 -5,-0.3 6,-0.3 0.943 114.4 41.7 -60.7 -45.8 45.7 70.0 15.1 74 104 A Q H <5S+ 0 0 64 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.899 123.7 36.3 -68.2 -41.6 46.5 72.8 17.6 75 105 A H H <5S- 0 0 97 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.744 137.3 -5.6 -85.4 -26.9 43.0 73.0 19.2 76 106 A D T >X5S+ 0 0 24 -4,-2.6 4,-2.2 -5,-0.3 3,-0.9 0.648 117.3 56.2-131.4 -63.4 41.9 69.4 19.2 77 107 A T H 3> S+ 0 0 76 -3,-0.9 4,-3.2 -6,-0.3 5,-0.3 0.908 109.8 52.0 -76.2 -41.7 45.2 66.8 22.6 80 110 A I H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.939 115.8 41.4 -58.2 -46.6 43.2 63.8 21.4 81 111 A L H X S+ 0 0 3 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.910 114.0 51.0 -71.6 -39.1 46.4 62.0 20.5 82 112 A S H X S+ 0 0 59 -4,-2.1 4,-2.0 -5,-0.3 -2,-0.2 0.948 115.8 42.4 -63.1 -44.8 48.3 63.1 23.6 83 113 A N H X S+ 0 0 27 -4,-3.2 4,-2.9 2,-0.2 5,-0.3 0.827 110.2 56.2 -72.5 -28.8 45.5 61.9 25.9 84 114 A A H X S+ 0 0 3 -4,-2.2 4,-2.8 -5,-0.3 5,-0.4 0.943 107.5 50.7 -65.6 -42.6 45.0 58.7 23.9 85 115 A L H X S+ 0 0 4 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.962 115.4 41.5 -59.2 -49.3 48.6 57.9 24.5 86 116 A R H X S+ 0 0 122 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.952 117.8 44.9 -63.5 -51.7 48.3 58.5 28.2 87 117 A H H X S+ 0 0 5 -4,-2.9 4,-1.2 2,-0.2 -1,-0.2 0.869 115.0 46.0 -64.4 -39.0 45.0 56.7 28.7 88 118 A L H < S+ 0 0 0 -4,-2.8 3,-0.4 -5,-0.3 -1,-0.2 0.918 111.2 53.8 -68.7 -44.8 45.7 53.6 26.6 89 119 A H H < S+ 0 0 87 -4,-2.1 -2,-0.2 -5,-0.4 -1,-0.2 0.964 116.0 39.6 -51.1 -51.0 49.1 53.3 28.3 90 120 A D H < S+ 0 0 89 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.612 115.4 50.7 -77.3 -15.1 47.4 53.4 31.8 91 121 A N >< - 0 0 32 -4,-1.2 3,-2.4 -3,-0.4 -1,-0.2 -0.753 67.6-169.6-128.2 80.6 44.3 51.2 30.9 92 122 A P T 3 S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.702 84.1 50.1 -42.4 -31.3 45.6 48.0 29.3 93 123 A E T 3 S+ 0 0 141 2,-0.1 253,-0.2 254,-0.0 2,-0.1 0.604 86.2 100.9 -87.5 -16.7 42.1 46.9 28.2 94 124 A M < - 0 0 1 -3,-2.4 2,-0.3 -7,-0.2 -3,-0.1 -0.450 55.8-163.6 -69.4 146.4 41.0 50.1 26.6 95 125 A K - 0 0 33 -40,-0.1 2,-0.3 252,-0.1 33,-0.2 -0.864 11.6-178.4-127.8 163.3 41.3 50.2 22.7 96 126 A F E - j 0 128C 0 31,-2.2 33,-2.8 -2,-0.3 2,-0.4 -0.949 14.1-147.2-162.1 137.0 41.2 53.0 20.0 97 127 A I E -ij 58 129C 3 -40,-1.9 -38,-0.5 -2,-0.3 2,-0.4 -0.878 11.7-161.1-109.7 147.1 41.4 53.1 16.2 98 128 A W E + j 0 130C 1 31,-2.4 33,-2.6 -2,-0.4 35,-0.2 -0.991 15.4 170.7-128.8 133.1 43.0 55.8 14.2 99 129 A A + 0 0 6 -2,-0.4 2,-1.0 -40,-0.3 34,-0.4 0.845 56.3 73.3-105.8 -45.7 42.4 56.6 10.5 100 130 A E >> - 0 0 4 1,-0.2 4,-1.7 33,-0.1 3,-0.5 -0.629 47.6-179.3 -83.9 98.4 44.1 59.9 9.4 101 131 A I H 3> S+ 0 0 0 33,-2.4 4,-3.3 -2,-1.0 5,-0.4 0.802 76.6 70.1 -68.7 -26.6 47.8 59.5 9.2 102 132 A S H 3> S+ 0 0 3 33,-2.0 4,-1.8 32,-0.3 -1,-0.2 0.937 107.7 39.6 -53.1 -48.4 48.4 63.2 8.1 103 133 A Y H <> S+ 0 0 0 -3,-0.5 4,-2.0 32,-0.3 -1,-0.2 0.893 115.1 52.0 -67.4 -41.5 47.4 64.1 11.7 104 134 A F H X S+ 0 0 0 -4,-1.7 4,-3.2 1,-0.2 -2,-0.2 0.922 110.9 46.6 -64.2 -42.9 49.3 61.2 13.3 105 135 A A H X S+ 0 0 3 -4,-3.3 4,-2.2 2,-0.2 -1,-0.2 0.915 110.5 53.7 -63.2 -43.3 52.5 62.0 11.5 106 136 A R H < S+ 0 0 62 -4,-1.8 4,-0.3 -5,-0.4 -1,-0.2 0.904 115.5 41.1 -56.5 -41.6 52.2 65.7 12.5 107 137 A F H >< S+ 0 0 12 -4,-2.0 3,-1.7 2,-0.2 4,-0.5 0.958 111.5 54.1 -70.5 -55.1 51.8 64.6 16.1 108 138 A Y H >< S+ 0 0 6 -4,-3.2 3,-1.4 1,-0.3 -2,-0.2 0.850 103.8 54.1 -52.8 -43.4 54.5 61.9 16.2 109 139 A H T 3< S+ 0 0 81 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.673 106.3 54.4 -71.0 -12.2 57.3 64.1 14.9 110 140 A D T < S+ 0 0 105 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.494 90.7 101.1 -93.9 -4.6 56.5 66.5 17.7 111 141 A L S < S- 0 0 26 -3,-1.4 2,-0.1 -4,-0.5 -3,-0.0 -0.500 75.1-118.9 -81.3 147.0 56.9 63.8 20.4 112 142 A G > - 0 0 47 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.394 35.0-102.9 -75.2 164.6 59.9 63.4 22.6 113 143 A E H > S+ 0 0 119 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.859 120.5 57.6 -58.4 -38.0 61.7 60.0 22.3 114 144 A N H > S+ 0 0 102 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.958 111.6 42.0 -59.7 -47.0 60.3 58.7 25.5 115 145 A K H > S+ 0 0 91 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.855 108.4 59.0 -67.5 -36.3 56.7 59.2 24.2 116 146 A K H X S+ 0 0 42 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.925 108.0 48.3 -58.0 -42.0 57.6 57.9 20.8 117 147 A L H X S+ 0 0 94 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.906 110.2 49.4 -66.3 -41.8 58.6 54.7 22.5 118 148 A Q H X S+ 0 0 44 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.907 111.2 51.5 -64.1 -37.8 55.4 54.5 24.6 119 149 A M H X S+ 0 0 3 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.934 107.9 50.5 -63.7 -45.7 53.3 55.1 21.4 120 150 A K H X S+ 0 0 85 -4,-2.4 4,-3.3 1,-0.2 -1,-0.2 0.897 109.0 53.7 -60.9 -37.9 55.1 52.3 19.5 121 151 A S H X S+ 0 0 55 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.919 107.3 47.7 -66.2 -43.0 54.4 49.9 22.4 122 152 A I H <>S+ 0 0 3 -4,-2.0 6,-2.2 2,-0.2 5,-1.0 0.736 115.9 46.6 -71.6 -17.8 50.6 50.6 22.6 123 153 A V H ><5S+ 0 0 12 -4,-1.4 3,-1.7 4,-0.2 -2,-0.2 0.908 112.7 49.5 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