==== 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 04-SEP-03 1QX1 . COMPND 2 MOLECULE: ALPHA-MANNOSIDASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; . AUTHOR S.NUMAO,D.A.KUNTZ,S.G.WITHERS,D.R.ROSE . 1014 1 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35987.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 663 65.4 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 . 212 20.9 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 . 85 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 194 19.1 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 . 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 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 0 124 0, 0.0 2,-0.1 0, 0.0 1000,-0.0 0.000 360.0 360.0 360.0 138.4 43.6 37.4 -18.7 2 32 A Q - 0 0 50 1001,-0.1 2,-0.7 1,-0.1 220,-0.0 -0.356 360.0-115.9 -66.0 147.6 39.9 37.6 -17.8 3 33 A D > - 0 0 56 1,-0.1 4,-0.5 -2,-0.1 220,-0.2 -0.759 28.1-171.5 -88.3 116.8 37.6 39.0 -20.5 4 34 A V T 4 S+ 0 0 4 -2,-0.7 -1,-0.1 1,-0.1 877,-0.1 0.441 76.9 44.0 -91.8 1.5 36.2 42.2 -19.1 5 35 A V T 4 S+ 0 0 16 869,-0.1 871,-0.5 870,-0.1 -1,-0.1 0.803 110.7 39.2-107.5 -44.5 33.6 42.7 -21.9 6 36 A Q T 4 S+ 0 0 126 869,-0.2 2,-0.6 1,-0.1 -2,-0.1 0.541 97.4 71.3 -96.7 -11.5 31.8 39.5 -22.8 7 37 A D < - 0 0 74 -4,-0.5 -1,-0.1 214,-0.2 216,-0.1 -0.920 68.3-148.3-112.8 107.2 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 -0.590 28.1-120.0 -73.7 119.5 28.4 39.3 -17.2 9 39 A P - 0 0 13 0, 0.0 2,-0.8 0, 0.0 214,-0.1 -0.258 14.6-132.5 -61.4 143.7 29.5 38.5 -13.6 10 40 A N + 0 0 144 213,-0.3 2,-0.3 -3,-0.0 3,-0.0 -0.867 41.0 160.8 -97.2 108.8 27.0 36.6 -11.6 11 41 A V - 0 0 20 -2,-0.8 3,-0.1 1,-0.1 359,-0.1 -0.922 46.8-127.7-126.4 155.7 26.7 38.4 -8.2 12 42 A D S S+ 0 0 97 -2,-0.3 2,-0.4 1,-0.2 358,-0.2 0.863 101.0 27.4 -69.0 -36.2 24.0 38.3 -5.5 13 43 A V E +a 370 0A 1 356,-1.8 358,-2.2 -3,-0.0 2,-0.5 -0.986 63.5 179.6-129.6 118.8 23.6 42.1 -5.4 14 44 A Q E > -a 371 0A 29 -2,-0.4 4,-2.8 356,-0.2 3,-0.4 -0.989 23.8-144.5-118.2 116.9 24.3 44.3 -8.5 15 45 A M H > S+ 0 0 6 356,-2.6 4,-2.5 -2,-0.5 357,-0.1 0.790 95.6 51.9 -60.5 -32.0 23.6 47.9 -7.6 16 46 A L H > S+ 0 0 31 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.906 113.7 45.8 -68.1 -37.9 22.2 49.0 -11.0 17 47 A E H > S+ 0 0 89 -3,-0.4 4,-1.8 2,-0.2 -2,-0.2 0.918 112.4 51.5 -70.7 -40.7 19.7 46.1 -10.9 18 48 A L H X S+ 0 0 1 -4,-2.8 4,-2.7 1,-0.2 3,-0.2 0.945 108.4 50.8 -61.0 -45.6 18.9 46.8 -7.3 19 49 A Y H < S+ 0 0 19 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.867 106.4 55.4 -58.2 -35.8 18.1 50.5 -8.1 20 50 A D H < S+ 0 0 82 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.870 116.0 37.7 -67.2 -36.2 15.8 49.4 -11.0 21 51 A R H < S+ 0 0 116 -4,-1.8 -2,-0.2 -3,-0.2 -1,-0.2 0.788 95.5 93.8 -88.1 -28.5 13.8 47.3 -8.6 22 52 A M < - 0 0 8 -4,-2.7 181,-0.0 -5,-0.2 180,-0.0 -0.340 58.6-152.7 -65.5 148.4 13.7 49.4 -5.4 23 53 A S - 0 0 82 179,-0.1 -1,-0.1 2,-0.1 -4,-0.0 0.615 18.5-147.4 -94.7 -19.7 10.8 51.8 -4.7 24 54 A F + 0 0 23 1,-0.2 2,-0.2 178,-0.1 178,-0.1 0.791 29.2 174.5 59.3 29.8 12.8 54.3 -2.5 25 55 A K - 0 0 157 1,-0.1 2,-1.1 177,-0.1 -1,-0.2 -0.509 27.1-144.0 -70.6 136.0 9.8 55.1 -0.4 26 56 A D + 0 0 83 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 -0.616 36.3 162.0 -99.4 75.7 10.6 57.4 2.5 27 57 A I - 0 0 91 -2,-1.1 2,-0.7 7,-0.1 -2,-0.0 -0.637 47.7-103.9-101.2 154.7 8.3 56.1 5.2 28 58 A D - 0 0 111 -2,-0.3 6,-0.2 1,-0.2 5,-0.1 -0.620 32.7-173.2 -74.5 109.7 8.5 56.6 8.9 29 59 A G - 0 0 11 4,-2.3 3,-0.4 -2,-0.7 2,-0.4 0.364 41.4-109.8 -87.3 4.4 9.8 53.4 10.3 30 60 A G S S- 0 0 26 3,-0.2 -1,-0.3 1,-0.2 5,-0.1 -0.817 83.1 -8.9 105.5-145.4 9.4 54.3 14.0 31 61 A V S S+ 0 0 58 -2,-0.4 2,-1.4 1,-0.2 -1,-0.2 0.881 136.7 58.2 -61.8 -36.0 12.4 55.0 16.3 32 62 A W S > S- 0 0 15 -3,-0.4 3,-1.9 1,-0.2 -1,-0.2 -0.790 88.5-164.6 -87.4 96.5 14.6 53.7 13.5 33 63 A K T 3 S+ 0 0 124 -2,-1.4 -4,-2.3 1,-0.3 -3,-0.2 0.788 80.2 34.4 -61.3 -31.2 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 0.230 123.5 41.4-110.3 18.6 14.4 55.0 8.0 35 65 A G S < S- 0 0 1 -3,-1.9 2,-0.3 212,-0.1 -8,-0.1 0.068 88.5 -93.9-126.4-126.7 14.1 51.3 8.9 36 66 A W - 0 0 72 -2,-0.1 2,-0.9 169,-0.0 -7,-0.1 -0.889 48.4 -74.3-152.9 171.9 11.4 49.3 10.8 37 67 A N - 0 0 106 -2,-0.3 2,-0.2 -6,-0.1 -7,-0.1 -0.686 55.4-138.1 -78.3 106.7 10.9 48.1 14.4 38 68 A I - 0 0 13 -2,-0.9 2,-0.3 1,-0.0 256,-0.1 -0.486 20.1-167.2 -72.0 137.2 13.4 45.3 14.7 39 69 A K - 0 0 174 -2,-0.2 2,-0.3 255,-0.1 -1,-0.0 -0.875 5.2-176.1-120.3 149.1 12.3 42.1 16.5 40 70 A Y - 0 0 65 -2,-0.3 254,-0.1 256,-0.0 3,-0.0 -0.985 31.0-113.2-142.7 157.0 14.6 39.3 17.7 41 71 A D > - 0 0 92 -2,-0.3 3,-2.4 1,-0.2 4,-0.3 -0.787 20.2-149.2 -89.0 114.5 14.1 35.9 19.3 42 72 A P G > S+ 0 0 88 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.814 95.6 62.9 -56.2 -23.8 15.5 36.1 22.8 43 73 A L G 3 S+ 0 0 137 1,-0.2 -2,-0.0 -3,-0.0 0, 0.0 0.526 76.6 89.9 -78.5 -3.5 16.4 32.4 22.5 44 74 A K G < S+ 0 0 75 -3,-2.4 2,-0.4 2,-0.0 -1,-0.2 0.877 87.7 48.1 -61.0 -37.2 18.8 33.0 19.6 45 75 A Y S < S+ 0 0 9 -3,-0.7 2,-0.2 -4,-0.3 5,-0.2 -0.868 71.3 149.2-106.9 142.5 21.7 33.5 22.0 46 76 A N B > -F 49 0B 68 3,-1.6 3,-2.3 -2,-0.4 293,-0.0 -0.880 63.1 -66.9-156.2 179.9 22.4 31.0 24.9 47 77 A A T 3 S+ 0 0 70 1,-0.3 3,-0.3 -2,-0.2 -2,-0.0 0.815 132.9 43.6 -53.2 -28.3 25.4 29.6 26.8 48 78 A H T 3 S+ 0 0 181 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.468 122.4 37.2 -98.8 5.5 26.7 27.8 23.8 49 79 A H B < S+F 46 0B 59 -3,-2.3 -3,-1.6 2,-0.0 -1,-0.3 -0.662 76.4 176.6-155.1 83.6 26.2 30.6 21.4 50 80 A K - 0 0 87 -3,-0.3 2,-0.6 -5,-0.2 292,-0.2 -0.549 34.5-114.2 -93.1 158.2 26.9 34.0 22.9 51 81 A L E -g 342 0C 0 290,-2.5 292,-2.5 -2,-0.2 2,-0.6 -0.824 29.1-151.9 -87.1 120.3 26.8 37.4 21.1 52 82 A K E -gh 343 303C 70 250,-3.1 252,-3.1 -2,-0.6 2,-0.5 -0.879 12.9-163.6 -96.4 124.7 30.4 38.8 21.1 53 83 A V E -gh 344 304C 0 290,-2.6 292,-2.3 -2,-0.6 2,-0.6 -0.936 9.9-164.0-116.5 128.3 30.3 42.6 21.1 54 84 A F E -gh 345 305C 11 250,-2.9 252,-2.9 -2,-0.5 2,-0.7 -0.929 5.2-160.7-111.8 114.2 33.3 44.8 20.2 55 85 A V E -gh 346 306C 0 290,-2.9 292,-2.4 -2,-0.6 40,-0.1 -0.854 12.6-162.5 -95.0 118.7 33.0 48.5 21.3 56 86 A V E - h 0 307C 0 250,-2.5 252,-2.7 -2,-0.7 292,-0.1 -0.862 6.6-147.3-113.0 100.9 35.5 50.4 19.2 57 87 A P E + h 0 308C 0 0, 0.0 40,-1.8 0, 0.0 2,-0.3 -0.442 30.5 160.9 -67.6 141.2 36.4 53.9 20.5 58 88 A H E -ih 97 309C 1 250,-1.9 252,-0.6 38,-0.2 2,-0.3 -0.958 31.1-148.7-155.3 166.2 37.2 56.4 17.6 59 89 A S E - h 0 310C 7 38,-0.5 2,-0.8 -2,-0.3 40,-0.3 -0.935 17.8-138.4-145.3 119.5 37.5 60.1 16.9 60 90 A H E - h 0 311C 3 250,-2.0 252,-2.7 -2,-0.3 2,-0.6 -0.683 25.6-175.7 -87.9 113.0 36.7 61.6 13.5 61 91 A N - 0 0 0 -2,-0.8 42,-0.1 250,-0.2 39,-0.1 -0.926 12.5-152.4-114.2 112.8 39.4 64.2 12.7 62 92 A D - 0 0 0 -2,-0.6 2,-2.5 1,-0.1 3,-0.1 -0.740 14.9-139.0 -87.3 127.5 39.1 66.3 9.6 63 93 A P S S- 0 0 0 0, 0.0 6,-0.4 0, 0.0 377,-0.1 -0.423 88.8 -18.3 -80.0 63.3 42.4 67.6 8.1 64 94 A G S S+ 0 0 0 -2,-2.5 4,-0.2 4,-0.4 378,-0.1 0.209 82.0 126.4 107.3 133.5 40.6 71.0 7.4 65 95 A W S S+ 0 0 31 2,-2.3 384,-2.8 -3,-0.1 387,-0.2 -0.341 92.3 3.7-168.7 -84.4 36.8 71.7 7.3 66 96 A I S S+ 0 0 48 382,-0.2 2,-0.3 2,-0.1 385,-0.1 0.720 142.4 27.9 -87.6 -28.6 35.6 74.6 9.5 67 97 A Q S S- 0 0 48 1,-0.1 -2,-2.3 384,-0.1 382,-0.1 -0.826 97.7 -97.3-123.4 165.4 39.2 75.3 10.6 68 98 A T > - 0 0 13 -2,-0.3 4,-3.0 -4,-0.2 -4,-0.4 -0.332 40.4 -99.5 -75.4 167.1 42.5 74.7 8.7 69 99 A F H > S+ 0 0 15 -6,-0.4 4,-2.3 1,-0.2 -5,-0.2 0.933 125.3 44.5 -48.3 -52.1 44.6 71.6 9.2 70 100 A E H > S+ 0 0 64 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.893 111.1 52.5 -68.7 -35.7 47.0 73.5 11.5 71 101 A E H > S+ 0 0 71 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.939 112.8 44.7 -65.3 -48.3 44.2 75.3 13.5 72 102 A Y H X>S+ 0 0 9 -4,-3.0 4,-2.7 1,-0.2 5,-2.1 0.893 110.5 55.6 -62.3 -37.2 42.5 72.0 14.2 73 103 A Y H <>S+ 0 0 6 -4,-2.3 5,-2.5 -5,-0.3 6,-0.3 0.944 113.9 40.0 -58.6 -46.2 45.8 70.4 15.1 74 104 A Q H <5S+ 0 0 65 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.877 124.1 36.8 -72.1 -35.7 46.5 73.1 17.7 75 105 A H H <5S- 0 0 99 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.790 137.3 -5.6 -90.4 -25.2 43.0 73.3 19.1 76 106 A D T >X5S+ 0 0 23 -4,-2.7 4,-2.2 -5,-0.3 3,-0.6 0.688 117.7 55.4-133.9 -59.6 41.9 69.8 19.0 77 107 A T H 3> S+ 0 0 77 -3,-0.6 4,-2.7 -6,-0.3 5,-0.3 0.881 110.5 52.1 -73.4 -40.1 45.2 67.1 22.6 80 110 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.950 114.9 42.0 -60.6 -48.0 43.2 64.1 21.4 81 111 A L H X S+ 0 0 1 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.902 113.8 50.8 -69.7 -37.5 46.5 62.3 20.5 82 112 A S H X S+ 0 0 58 -4,-2.1 4,-2.2 -5,-0.3 -1,-0.2 0.920 115.0 43.6 -63.5 -41.7 48.3 63.3 23.6 83 113 A N H X S+ 0 0 24 -4,-2.7 4,-3.1 2,-0.2 5,-0.3 0.857 110.2 55.4 -76.0 -27.5 45.5 62.2 25.9 84 114 A A H X S+ 0 0 2 -4,-2.3 4,-2.8 -5,-0.3 5,-0.4 0.933 108.5 49.6 -67.8 -41.2 45.0 58.9 23.9 85 115 A L H X S+ 0 0 6 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.960 115.2 43.2 -61.2 -46.5 48.7 58.2 24.5 86 116 A R H X S+ 0 0 126 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.947 117.7 44.1 -63.9 -49.2 48.3 58.9 28.3 87 117 A H H X S+ 0 0 6 -4,-3.1 4,-1.1 1,-0.2 7,-0.2 0.888 115.6 45.4 -68.8 -39.8 45.0 57.0 28.7 88 118 A L H < S+ 0 0 0 -4,-2.8 3,-0.5 -5,-0.3 -1,-0.2 0.907 112.0 53.1 -68.3 -43.1 45.9 54.0 26.7 89 119 A H H < S+ 0 0 90 -4,-2.4 -2,-0.2 -5,-0.4 -1,-0.2 0.960 116.3 40.0 -54.6 -45.0 49.3 53.7 28.4 90 120 A D H < S+ 0 0 91 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.613 117.1 48.3 -80.8 -13.1 47.6 53.8 31.8 91 121 A N >< - 0 0 32 -4,-1.1 3,-2.1 -3,-0.5 -1,-0.2 -0.792 66.7-168.9-132.7 87.2 44.6 51.5 31.0 92 122 A P T 3 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.677 83.7 51.4 -53.4 -26.5 45.7 48.4 29.3 93 123 A E T 3 S+ 0 0 147 2,-0.1 253,-0.2 254,-0.0 2,-0.1 0.570 86.8 100.9 -89.7 -10.3 42.3 47.2 28.2 94 124 A M < - 0 0 3 -3,-2.1 2,-0.3 -6,-0.2 -3,-0.1 -0.487 54.8-166.4 -74.2 150.0 41.2 50.5 26.6 95 125 A K - 0 0 29 -2,-0.1 2,-0.3 -40,-0.1 33,-0.2 -0.868 11.4-178.8-133.7 163.4 41.5 50.6 22.7 96 126 A F E - j 0 128C 0 31,-2.1 33,-2.4 -2,-0.3 2,-0.3 -0.960 14.3-145.7-162.7 143.4 41.3 53.3 20.1 97 127 A I E -ij 58 129C 3 -40,-1.8 -38,-0.5 -2,-0.3 2,-0.4 -0.886 12.0-165.3-116.3 150.2 41.5 53.4 16.3 98 128 A W E + j 0 130C 2 31,-2.2 33,-2.4 -2,-0.3 35,-0.2 -0.998 13.4 173.6-137.0 134.5 43.1 56.2 14.2 99 129 A A + 0 0 7 -2,-0.4 2,-0.8 -40,-0.3 34,-0.5 0.802 55.7 76.1-108.4 -37.9 42.7 56.9 10.4 100 130 A E > - 0 0 4 1,-0.2 4,-1.9 33,-0.1 3,-0.3 -0.691 45.5-178.1 -92.1 105.6 44.5 60.2 9.3 101 131 A I H > S+ 0 0 0 33,-2.7 4,-3.1 -2,-0.8 5,-0.4 0.785 77.8 70.8 -75.2 -22.7 48.2 59.8 9.1 102 132 A S H > S+ 0 0 4 33,-2.2 4,-1.6 32,-0.3 -1,-0.2 0.955 108.7 36.9 -56.0 -44.8 48.7 63.5 8.1 103 133 A Y H > S+ 0 0 0 32,-0.4 4,-2.4 -3,-0.3 -2,-0.2 0.896 116.1 52.4 -71.9 -42.2 47.7 64.4 11.7 104 134 A F H X S+ 0 0 0 -4,-1.9 4,-3.2 1,-0.2 5,-0.2 0.918 110.5 46.9 -65.1 -41.3 49.5 61.4 13.3 105 135 A A H X S+ 0 0 4 -4,-3.1 4,-2.4 2,-0.2 -1,-0.2 0.909 110.8 53.5 -64.8 -39.7 52.8 62.2 11.6 106 136 A R H X S+ 0 0 68 -4,-1.6 4,-0.7 -5,-0.4 -2,-0.2 0.935 116.0 40.4 -59.4 -44.4 52.5 65.9 12.6 107 137 A F H >X S+ 0 0 11 -4,-2.4 3,-0.9 2,-0.2 4,-0.7 0.946 113.9 50.9 -68.8 -52.0 52.0 64.8 16.3 108 138 A Y H >< S+ 0 0 5 -4,-3.2 3,-1.2 1,-0.3 -2,-0.2 0.900 105.7 54.2 -61.3 -40.1 54.6 62.0 16.4 109 139 A H H 3< S+ 0 0 89 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.773 107.6 52.7 -69.0 -22.3 57.4 64.1 15.0 110 140 A D H << S+ 0 0 105 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.591 90.1 101.3 -86.9 -9.2 56.8 66.7 17.8 111 141 A L S << S- 0 0 25 -3,-1.2 2,-0.0 -4,-0.7 -3,-0.0 -0.467 76.6-116.4 -75.5 144.8 57.0 64.1 20.6 112 142 A G > - 0 0 51 -2,-0.2 4,-2.4 1,-0.1 3,-0.2 -0.331 36.5-101.1 -69.6 161.7 60.1 63.7 22.7 113 143 A E H > S+ 0 0 117 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.860 119.9 57.2 -55.8 -39.3 61.8 60.3 22.5 114 144 A N H > S+ 0 0 107 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.950 112.2 41.4 -60.5 -46.0 60.4 58.9 25.7 115 145 A K H > S+ 0 0 98 2,-0.2 4,-2.5 -3,-0.2 -1,-0.2 0.838 109.0 58.7 -71.1 -34.6 56.8 59.5 24.4 116 146 A K H X S+ 0 0 30 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.937 109.1 47.8 -57.9 -44.2 57.7 58.2 20.9 117 147 A L H X S+ 0 0 97 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.908 110.1 49.5 -64.9 -40.3 58.7 54.9 22.6 118 148 A Q H X S+ 0 0 47 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.893 112.3 50.1 -63.4 -40.2 55.5 54.8 24.7 119 149 A M H X S+ 0 0 2 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.923 108.2 50.9 -64.7 -43.8 53.5 55.4 21.5 120 150 A K H X S+ 0 0 81 -4,-2.6 4,-3.1 1,-0.2 -1,-0.2 0.888 109.5 53.4 -62.6 -34.7 55.3 52.6 19.6 121 151 A S H X S+ 0 0 68 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.909 106.7 48.7 -67.6 -43.7 54.5 50.3 22.5 122 152 A I H <>S+ 0 0 5 -4,-1.9 6,-2.0 2,-0.2 5,-1.5 0.757 116.2 45.6 -68.2 -22.8 50.7 50.9 22.5 123 153 A V H ><5S+ 0 0 12 -4,-1.5 3,-1.6 4,-0.2 -2,-0.2 0.909 112.6 48.8 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