==== 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 18-JUN-04 1TQT . 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) . 35706.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 666 65.7 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 . 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 . 8 0.8 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 . 85 8.4 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 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 . 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 . 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 0 119 0, 0.0 2,-0.0 0, 0.0 1000,-0.0 0.000 360.0 360.0 360.0 129.9 43.4 37.4 -18.7 2 32 A Q - 0 0 64 1001,-0.1 2,-0.6 1,-0.1 220,-0.0 -0.325 360.0-116.4 -63.8 148.4 39.7 37.5 -17.9 3 33 A D - 0 0 57 1,-0.1 4,-0.4 2,-0.0 220,-0.2 -0.778 28.9-171.3 -86.2 121.7 37.5 38.9 -20.6 4 34 A V S S+ 0 0 5 -2,-0.6 -1,-0.1 2,-0.1 877,-0.1 0.402 77.2 45.2-100.5 8.2 36.0 42.1 -19.1 5 35 A V S S+ 0 0 16 869,-0.1 871,-0.5 870,-0.1 876,-0.1 0.808 110.8 40.2-111.1 -49.1 33.6 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 0.554 97.5 68.7 -88.0 -13.3 31.8 39.5 -22.9 7 37 A D - 0 0 80 -4,-0.4 -1,-0.1 214,-0.2 216,-0.1 -0.929 69.6-145.2-112.2 114.2 31.0 37.6 -19.6 8 38 A V - 0 0 57 -2,-0.6 213,-0.1 1,-0.1 871,-0.1 -0.610 28.3-118.6 -75.1 118.4 28.4 39.2 -17.3 9 39 A P - 0 0 12 0, 0.0 2,-0.8 0, 0.0 214,-0.1 -0.258 16.5-133.5 -57.2 143.0 29.4 38.5 -13.7 10 40 A N + 0 0 140 213,-0.4 2,-0.3 -3,-0.0 3,-0.1 -0.845 40.7 162.4 -97.2 107.9 26.9 36.5 -11.7 11 41 A V - 0 0 21 -2,-0.8 3,-0.1 1,-0.1 359,-0.1 -0.898 46.8-128.1-127.5 157.7 26.5 38.3 -8.3 12 42 A D S S+ 0 0 100 -2,-0.3 2,-0.4 1,-0.2 358,-0.2 0.870 101.6 25.9 -70.0 -39.0 24.0 38.2 -5.5 13 43 A V E -a 370 0A 3 356,-1.9 358,-2.0 -3,-0.1 2,-0.5 -0.993 64.5-178.1-126.9 121.4 23.5 41.9 -5.5 14 44 A Q E > -a 371 0A 28 -2,-0.4 4,-2.9 356,-0.2 3,-0.4 -0.977 22.0-145.7-117.7 114.6 24.1 44.1 -8.6 15 45 A M H > S+ 0 0 5 356,-2.5 4,-2.2 -2,-0.5 357,-0.1 0.768 94.8 50.2 -56.6 -32.1 23.5 47.7 -7.7 16 46 A L H > S+ 0 0 34 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.920 114.9 45.8 -71.5 -39.6 22.1 48.9 -11.0 17 47 A E H > S+ 0 0 84 -3,-0.4 4,-1.7 2,-0.2 -2,-0.2 0.925 112.3 50.8 -68.1 -40.7 19.7 45.9 -11.0 18 48 A L H X S+ 0 0 3 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.911 109.5 51.3 -64.0 -39.3 18.8 46.6 -7.4 19 49 A Y H < S+ 0 0 21 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.881 105.8 54.8 -64.8 -38.3 18.1 50.2 -8.2 20 50 A D H < S+ 0 0 85 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.897 116.3 38.3 -61.3 -38.9 15.8 49.2 -11.1 21 51 A R H < S+ 0 0 134 -4,-1.7 -2,-0.2 -5,-0.1 -1,-0.2 0.811 95.4 93.8 -81.0 -37.4 13.7 47.1 -8.6 22 52 A M < - 0 0 8 -4,-2.5 181,-0.0 -5,-0.2 180,-0.0 -0.276 58.8-153.1 -63.5 147.7 13.7 49.2 -5.4 23 53 A S - 0 0 73 179,-0.1 -1,-0.1 2,-0.1 -4,-0.0 0.621 17.4-146.7 -97.5 -13.9 10.9 51.6 -4.8 24 54 A F + 0 0 21 1,-0.2 2,-0.3 178,-0.1 178,-0.1 0.754 29.9 172.6 55.9 29.5 12.7 54.2 -2.6 25 55 A K - 0 0 147 1,-0.1 2,-1.2 177,-0.1 -1,-0.2 -0.525 27.4-145.7 -72.3 132.6 9.7 55.0 -0.4 26 56 A D + 0 0 81 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 -0.659 35.0 162.7 -96.4 81.0 10.6 57.2 2.5 27 57 A I - 0 0 96 -2,-1.2 2,-0.6 7,-0.1 -2,-0.0 -0.737 47.9-101.6-103.7 155.0 8.2 55.9 5.2 28 58 A D - 0 0 115 -2,-0.3 6,-0.2 1,-0.2 5,-0.1 -0.591 32.6-172.2 -72.4 111.4 8.5 56.5 8.9 29 59 A G - 0 0 11 4,-2.8 3,-0.4 -2,-0.6 2,-0.3 0.402 40.4-114.0 -87.1 2.6 9.9 53.3 10.3 30 60 A G S S- 0 0 25 3,-0.3 -1,-0.3 1,-0.2 5,-0.1 -0.798 82.4 -6.5 102.9-142.7 9.4 54.3 14.0 31 61 A V S S+ 0 0 59 -2,-0.3 2,-1.5 1,-0.2 -1,-0.2 0.900 137.7 57.0 -58.2 -36.3 12.4 54.9 16.3 32 62 A W S > S- 0 0 15 -3,-0.4 3,-1.9 1,-0.2 -1,-0.2 -0.758 88.3-165.1 -90.2 93.3 14.6 53.6 13.4 33 63 A K T 3 S+ 0 0 124 -2,-1.5 -4,-2.8 1,-0.3 -3,-0.3 0.776 79.3 34.2 -54.1 -32.9 13.2 56.3 11.2 34 64 A Q T 3 S+ 0 0 25 -6,-0.2 -1,-0.3 -5,-0.2 171,-0.1 0.187 123.7 38.8-111.1 15.5 14.4 54.8 7.9 35 65 A G S < S- 0 0 2 -3,-1.9 2,-0.3 212,-0.1 -8,-0.1 0.065 88.8 -95.9-126.8-124.3 14.0 51.1 8.8 36 66 A W - 0 0 73 -2,-0.1 2,-0.9 169,-0.0 -7,-0.1 -0.885 48.8 -68.7-155.7 177.3 11.4 49.2 10.8 37 67 A N - 0 0 105 -2,-0.3 2,-0.2 -6,-0.1 -7,-0.1 -0.696 54.9-142.1 -80.4 107.9 10.9 47.8 14.4 38 68 A I - 0 0 11 -2,-0.9 2,-0.3 1,-0.0 256,-0.1 -0.504 19.6-170.9 -74.9 139.1 13.5 45.1 14.6 39 69 A K - 0 0 176 -2,-0.2 2,-0.3 255,-0.1 -1,-0.0 -0.916 2.8-174.4-125.7 150.9 12.4 42.0 16.6 40 70 A Y - 0 0 63 -2,-0.3 254,-0.1 256,-0.0 3,-0.1 -0.957 31.2-109.6-143.0 162.6 14.6 39.2 17.7 41 71 A D > - 0 0 95 -2,-0.3 3,-2.7 1,-0.2 4,-0.4 -0.835 21.0-150.2 -93.1 113.3 14.1 35.8 19.3 42 72 A P G > S+ 0 0 86 0, 0.0 3,-0.8 0, 0.0 -1,-0.2 0.834 95.6 63.1 -54.7 -24.5 15.6 36.0 22.8 43 73 A L G 3 S+ 0 0 136 1,-0.2 -2,-0.0 -3,-0.1 0, 0.0 0.559 77.2 88.2 -78.1 -3.5 16.4 32.3 22.5 44 74 A K G < S+ 0 0 64 -3,-2.7 2,-0.4 2,-0.0 -1,-0.2 0.890 88.6 48.7 -60.1 -39.0 18.8 32.8 19.6 45 75 A Y S < S+ 0 0 8 -3,-0.8 2,-0.3 -4,-0.4 5,-0.2 -0.823 72.2 147.8-104.0 142.2 21.7 33.4 21.9 46 76 A N B > -F 49 0B 68 3,-1.7 3,-2.4 -2,-0.4 293,-0.0 -0.924 63.4 -64.4-158.6 179.2 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 0.764 133.8 40.2 -47.2 -31.1 25.3 29.5 26.9 48 78 A H T 3 S+ 0 0 184 1,-0.2 -1,-0.3 0, 0.0 2,-0.2 0.467 122.7 39.1-100.1 -1.0 26.7 27.7 23.8 49 79 A H B < S+F 46 0B 58 -3,-2.4 -3,-1.7 2,-0.0 -1,-0.2 -0.666 76.4 175.6-148.3 83.0 26.1 30.5 21.3 50 80 A K - 0 0 77 -3,-0.2 2,-0.6 -5,-0.2 292,-0.2 -0.552 35.6-114.4 -92.0 157.3 26.8 34.0 22.8 51 81 A L E -g 342 0C 0 290,-2.2 292,-2.2 289,-0.2 2,-0.7 -0.829 29.3-150.1 -88.8 115.3 26.8 37.4 21.0 52 82 A K E -gh 343 303C 65 250,-3.2 252,-3.2 -2,-0.6 2,-0.5 -0.830 14.8-162.2 -90.1 121.0 30.4 38.7 21.0 53 83 A V E -gh 344 304C 0 290,-2.7 292,-2.2 -2,-0.7 2,-0.6 -0.899 10.2-165.6-113.2 124.6 30.2 42.4 21.1 54 84 A F E -gh 345 305C 16 250,-3.1 252,-2.6 -2,-0.5 2,-0.7 -0.924 4.3-161.7-108.9 116.9 33.2 44.7 20.2 55 85 A V E -gh 346 306C 0 290,-2.7 292,-2.4 -2,-0.6 40,-0.1 -0.862 12.0-162.0 -96.3 117.6 32.9 48.3 21.2 56 86 A V E - h 0 307C 0 250,-2.4 252,-2.7 -2,-0.7 292,-0.1 -0.841 6.3-148.2-111.5 101.5 35.4 50.2 19.1 57 87 A P E + h 0 308C 0 0, 0.0 40,-1.9 0, 0.0 2,-0.3 -0.419 30.3 161.6 -66.1 139.7 36.4 53.7 20.4 58 88 A H E -ih 97 309C 2 250,-1.8 252,-0.6 38,-0.2 2,-0.4 -0.961 31.4-148.3-156.0 164.1 37.2 56.2 17.5 59 89 A S E - h 0 310C 6 38,-0.6 2,-0.8 -2,-0.3 40,-0.3 -0.953 17.7-138.8-143.8 114.6 37.6 59.9 16.8 60 90 A H E - h 0 311C 2 250,-2.1 252,-2.7 -2,-0.4 2,-0.7 -0.691 24.1-175.2 -78.9 110.0 36.7 61.4 13.4 61 91 A N - 0 0 0 -2,-0.8 42,-0.2 250,-0.2 250,-0.1 -0.849 11.7-154.3-111.7 96.6 39.5 64.0 12.7 62 92 A D - 0 0 1 -2,-0.7 2,-2.8 1,-0.1 3,-0.1 -0.564 17.2-133.7 -71.7 124.1 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 -0.392 86.9 -21.5 -75.5 65.5 42.2 67.2 8.0 64 94 A G S S+ 0 0 0 -2,-2.8 4,-0.2 4,-0.3 378,-0.1 0.172 82.1 129.8 102.8 135.8 40.5 70.6 7.5 65 95 A W S S+ 0 0 28 2,-2.4 384,-2.8 -3,-0.1 387,-0.2 -0.314 90.3 3.3-174.0 -84.7 36.7 71.4 7.2 66 96 A I S S+ 0 0 59 382,-0.2 2,-0.3 -4,-0.1 385,-0.1 0.497 141.7 31.1 -95.6 -4.9 35.5 74.2 9.5 67 97 A Q S S- 0 0 46 382,-0.0 -2,-2.4 384,-0.0 382,-0.1 -0.903 99.1-101.6-135.4 160.7 39.0 74.9 10.8 68 98 A T > - 0 0 15 -2,-0.3 4,-2.8 -4,-0.2 -4,-0.3 -0.366 40.5 -97.6 -76.9 169.8 42.2 74.4 8.7 69 99 A F H > S+ 0 0 14 -6,-0.3 4,-2.4 1,-0.2 -5,-0.2 0.931 125.3 44.5 -51.4 -52.4 44.4 71.4 9.3 70 100 A E H > S+ 0 0 65 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.881 111.0 53.2 -66.9 -37.4 46.8 73.3 11.5 71 101 A E H > S+ 0 0 64 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.935 113.0 44.5 -61.5 -47.3 44.0 75.0 13.5 72 102 A Y H X>S+ 0 0 8 -4,-2.8 4,-2.8 2,-0.2 5,-1.9 0.915 112.0 53.1 -61.2 -43.1 42.4 71.7 14.2 73 103 A Y H <>S+ 0 0 5 -4,-2.4 5,-2.5 -5,-0.3 6,-0.3 0.944 114.4 41.2 -59.5 -45.4 45.7 70.1 15.1 74 104 A Q H <5S+ 0 0 64 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.898 123.8 35.6 -69.1 -40.8 46.5 72.9 17.6 75 105 A H H <5S- 0 0 93 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.742 137.8 -4.4 -87.4 -24.9 43.0 73.2 19.2 76 106 A D T >X5S+ 0 0 23 -4,-2.8 4,-2.2 -5,-0.3 3,-0.7 0.659 117.3 55.4-132.2 -60.9 41.9 69.5 19.1 77 107 A T H 3> S+ 0 0 74 -3,-0.7 4,-3.1 -6,-0.3 5,-0.3 0.894 110.2 51.4 -74.4 -42.1 45.2 66.9 22.6 80 110 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.936 115.5 41.8 -58.8 -47.1 43.3 63.9 21.4 81 111 A L H X S+ 0 0 2 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.913 114.8 50.3 -71.7 -37.0 46.5 62.1 20.5 82 112 A S H X S+ 0 0 57 -4,-2.0 4,-2.0 -5,-0.3 -2,-0.2 0.947 115.2 42.9 -65.5 -44.6 48.3 63.1 23.6 83 113 A N H X S+ 0 0 26 -4,-3.1 4,-2.9 2,-0.2 5,-0.2 0.836 110.9 55.9 -69.7 -30.9 45.5 62.0 25.9 84 114 A A H X S+ 0 0 4 -4,-2.3 4,-2.6 -5,-0.3 5,-0.4 0.929 106.8 51.3 -65.2 -42.8 45.0 58.8 23.9 85 115 A L H X S+ 0 0 4 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.965 114.8 41.7 -58.7 -48.3 48.7 58.0 24.5 86 116 A R H X S+ 0 0 126 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.941 117.6 45.4 -65.3 -50.1 48.3 58.6 28.3 87 117 A H H X S+ 0 0 6 -4,-2.9 4,-1.3 2,-0.2 -1,-0.2 0.878 115.5 44.5 -64.2 -39.9 45.0 56.8 28.7 88 118 A L H < S+ 0 0 0 -4,-2.6 3,-0.3 -5,-0.2 -1,-0.2 0.907 112.7 53.2 -70.2 -43.1 45.8 53.7 26.6 89 119 A H H < S+ 0 0 95 -4,-2.3 -2,-0.2 -5,-0.4 -1,-0.2 0.966 116.7 39.2 -52.7 -51.7 49.2 53.5 28.3 90 120 A D H < S+ 0 0 91 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.630 116.6 49.5 -74.8 -17.1 47.5 53.5 31.8 91 121 A N >< - 0 0 31 -4,-1.3 3,-2.5 -3,-0.3 -1,-0.2 -0.753 68.0-168.8-128.1 82.0 44.4 51.3 30.9 92 122 A P T 3 S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.674 84.1 49.3 -43.6 -33.1 45.6 48.1 29.2 93 123 A E T 3 S+ 0 0 149 2,-0.1 253,-0.2 254,-0.0 2,-0.1 0.551 87.0 101.0 -88.6 -10.5 42.2 46.9 28.1 94 124 A M < - 0 0 2 -3,-2.5 2,-0.3 -6,-0.2 -3,-0.1 -0.491 55.6-165.5 -73.6 148.8 41.1 50.2 26.6 95 125 A K - 0 0 28 -40,-0.1 2,-0.3 -2,-0.1 33,-0.2 -0.864 12.0-177.4-131.5 165.0 41.4 50.4 22.7 96 126 A F E - j 0 128C 0 31,-2.2 33,-2.6 -2,-0.3 2,-0.4 -0.948 14.2-145.5-163.7 138.6 41.3 53.1 20.0 97 127 A I E -ij 58 129C 3 -40,-1.9 -38,-0.6 -2,-0.3 2,-0.4 -0.865 12.2-161.6-111.0 147.8 41.4 53.2 16.2 98 128 A W E + j 0 130C 1 31,-2.4 33,-2.4 -2,-0.4 35,-0.2 -0.989 15.4 170.5-129.8 132.1 43.0 56.0 14.2 99 129 A A + 0 0 6 -2,-0.4 2,-1.0 -40,-0.3 34,-0.4 0.841 56.2 74.4-108.1 -38.4 42.5 56.8 10.5 100 130 A E >> + 0 0 3 1,-0.2 4,-1.7 33,-0.1 3,-0.6 -0.645 46.8 179.7 -90.7 99.1 44.1 60.0 9.4 101 131 A I H 3> S+ 0 0 0 33,-2.3 4,-3.3 -2,-1.0 5,-0.3 0.789 75.9 70.3 -69.7 -26.2 47.8 59.6 9.2 102 132 A S H 3> S+ 0 0 3 33,-2.2 4,-1.7 32,-0.3 -1,-0.2 0.934 108.0 38.9 -53.8 -47.1 48.4 63.3 8.1 103 133 A Y H <> S+ 0 0 0 -3,-0.6 4,-2.3 32,-0.3 -1,-0.2 0.906 114.9 52.4 -68.1 -44.6 47.5 64.2 11.7 104 134 A F H X S+ 0 0 0 -4,-1.7 4,-3.2 1,-0.2 5,-0.2 0.910 110.6 47.8 -60.5 -40.2 49.3 61.3 13.3 105 135 A A H X S+ 0 0 3 -4,-3.3 4,-2.2 2,-0.2 -1,-0.2 0.920 110.0 52.4 -66.3 -42.1 52.5 62.1 11.5 106 136 A R H < S+ 0 0 61 -4,-1.7 4,-0.4 -5,-0.3 -1,-0.2 0.882 116.1 41.9 -57.4 -42.5 52.2 65.8 12.5 107 137 A F H >X S+ 0 0 9 -4,-2.3 3,-1.5 2,-0.2 4,-0.6 0.956 111.7 53.0 -70.1 -53.9 51.8 64.7 16.1 108 138 A Y H >< S+ 0 0 5 -4,-3.2 3,-1.2 1,-0.3 -2,-0.2 0.863 104.0 54.3 -55.0 -43.5 54.5 62.0 16.2 109 139 A H T 3< S+ 0 0 82 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.725 106.9 53.7 -70.2 -13.4 57.3 64.1 14.9 110 140 A D T <4 S+ 0 0 104 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.2 0.511 90.1 101.4 -91.9 -6.9 56.6 66.7 17.7 111 141 A L S << S- 0 0 27 -3,-1.2 2,-0.1 -4,-0.6 -3,-0.0 -0.500 75.7-117.8 -78.9 147.0 56.9 64.0 20.4 112 142 A G > - 0 0 49 -2,-0.2 4,-2.2 1,-0.1 3,-0.3 -0.367 35.5-101.3 -74.1 163.6 59.9 63.5 22.5 113 143 A E H > S+ 0 0 116 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.852 120.5 55.8 -57.6 -37.8 61.7 60.2 22.3 114 144 A N H > S+ 0 0 107 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.925 111.7 44.0 -63.2 -42.3 60.3 58.8 25.5 115 145 A K H > S+ 0 0 91 -3,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.829 108.8 56.7 -69.9 -35.0 56.7 59.4 24.2 116 146 A K H X S+ 0 0 43 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.911 109.3 47.7 -62.5 -40.7 57.5 58.0 20.7 117 147 A L H X S+ 0 0 98 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.878 111.1 49.6 -67.2 -40.5 58.6 54.8 22.4 118 148 A Q H X S+ 0 0 46 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.912 111.8 49.9 -63.2 -40.1 55.4 54.7 24.6 119 149 A M H X S+ 0 0 4 -4,-2.6 4,-1.5 1,-0.2 5,-0.2 0.931 108.6 51.3 -65.0 -44.8 53.4 55.3 21.4 120 150 A K H X S+ 0 0 81 -4,-2.5 4,-3.0 1,-0.2 -1,-0.2 0.870 108.6 53.6 -62.2 -32.5 55.1 52.5 19.5 121 151 A S H X S+ 0 0 69 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.889 107.0 48.0 -71.2 -38.6 54.4 50.1 22.4 122 152 A I H <>S+ 0 0 6 -4,-1.8 6,-2.1 2,-0.2 5,-1.1 0.746 116.3 45.4 -76.3 -19.4 50.7 50.7 22.5 123 153 A V H ><5S+ 0 0 10 -4,-1.5 3,-1.8 4,-0.2 -2,-0.2 0.908 113.1 50.3 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