==== 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 30-SEP-03 1R34 . COMPND 2 MOLECULE: PUTATIVE GOLGI ALPHA-MANNOSIDASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; . AUTHOR D.A.KUNTZ,W.XIN,L.M.KAVELEKAR,D.R.ROSE,B.M.PINTO . 1014 1 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35738.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 661 65.2 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 . 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 . 88 8.7 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 . 193 19.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.0 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 . 6 8 3 5 3 5 2 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 1000,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 128.5 43.4 37.1 -18.6 2 32 A Q - 0 0 62 1001,-0.1 2,-0.6 1,-0.1 220,-0.0 -0.310 360.0-118.6 -63.8 148.6 39.7 37.5 -17.7 3 33 A D - 0 0 54 1,-0.1 4,-0.4 2,-0.0 220,-0.2 -0.797 27.2-171.3 -89.9 122.8 37.4 38.8 -20.4 4 34 A V S S+ 0 0 4 -2,-0.6 -1,-0.1 2,-0.1 877,-0.1 0.394 76.5 45.1-100.1 7.0 35.9 42.1 -19.0 5 35 A V S S+ 0 0 16 869,-0.1 871,-0.5 870,-0.1 876,-0.1 0.810 110.2 39.4-112.0 -48.9 33.5 42.6 -21.8 6 36 A Q S S+ 0 0 121 869,-0.2 2,-0.6 1,-0.1 -2,-0.1 0.561 97.1 70.0 -89.4 -15.5 31.6 39.4 -22.7 7 37 A D - 0 0 74 -4,-0.4 -1,-0.1 214,-0.2 3,-0.0 -0.912 69.5-146.3-110.1 107.6 30.8 37.6 -19.5 8 38 A V - 0 0 57 -2,-0.6 213,-0.1 1,-0.1 871,-0.1 -0.545 28.9-119.4 -69.9 113.1 28.2 39.2 -17.2 9 39 A P - 0 0 13 0, 0.0 2,-0.8 0, 0.0 214,-0.1 -0.171 16.4-132.2 -53.2 144.9 29.3 38.5 -13.6 10 40 A N + 0 0 143 213,-0.4 2,-0.3 -3,-0.0 3,-0.1 -0.864 40.4 163.0 -99.3 109.3 26.8 36.5 -11.6 11 41 A V - 0 0 21 -2,-0.8 3,-0.2 1,-0.1 359,-0.1 -0.888 46.7-129.0-127.0 157.3 26.4 38.3 -8.2 12 42 A D S S+ 0 0 99 -2,-0.3 2,-0.4 1,-0.2 358,-0.2 0.874 102.0 27.3 -68.3 -38.4 23.8 38.2 -5.4 13 43 A V E +a 370 0A 3 356,-2.0 358,-1.9 -3,-0.1 2,-0.5 -0.990 63.7 179.1-128.7 121.2 23.4 42.0 -5.4 14 44 A Q E > -a 371 0A 28 -2,-0.4 4,-2.9 356,-0.2 3,-0.3 -0.986 22.8-146.3-121.2 114.4 24.1 44.1 -8.5 15 45 A M H > S+ 0 0 5 356,-2.5 4,-2.3 -2,-0.5 357,-0.1 0.767 94.6 51.4 -58.5 -32.7 23.4 47.7 -7.7 16 46 A L H > S+ 0 0 36 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.922 114.8 45.8 -69.2 -38.8 22.0 48.9 -11.0 17 47 A E H > S+ 0 0 85 -3,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.938 112.0 51.0 -69.4 -41.6 19.5 46.0 -10.9 18 48 A L H X S+ 0 0 4 -4,-2.9 4,-2.4 1,-0.2 3,-0.3 0.938 109.5 50.7 -59.8 -44.2 18.7 46.7 -7.3 19 49 A Y H < S+ 0 0 20 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.871 106.3 54.7 -61.8 -37.6 18.0 50.3 -8.1 20 50 A D H < S+ 0 0 85 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.870 116.6 39.0 -63.7 -36.2 15.7 49.3 -11.0 21 51 A R H < S+ 0 0 136 -4,-1.7 -2,-0.2 -3,-0.3 -1,-0.2 0.821 95.1 91.7 -82.6 -38.3 13.7 47.2 -8.5 22 52 A M < - 0 0 7 -4,-2.4 181,-0.0 -5,-0.2 180,-0.0 -0.301 57.8-154.4 -65.0 148.1 13.6 49.3 -5.3 23 53 A S - 0 0 73 179,-0.1 -1,-0.1 2,-0.1 -4,-0.0 0.631 18.3-147.6 -99.9 -14.6 10.7 51.7 -4.8 24 54 A F + 0 0 20 1,-0.2 2,-0.2 178,-0.1 178,-0.1 0.771 27.9 173.6 58.3 30.0 12.6 54.1 -2.5 25 55 A K - 0 0 148 1,-0.1 2,-1.0 177,-0.1 -1,-0.2 -0.487 26.8-143.9 -71.3 139.5 9.5 55.1 -0.4 26 56 A D + 0 0 83 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 -0.677 34.7 165.0-101.5 79.3 10.5 57.3 2.5 27 57 A I - 0 0 99 -2,-1.0 2,-0.7 7,-0.1 -2,-0.0 -0.712 47.1-102.3-100.8 155.2 8.2 56.1 5.3 28 58 A D - 0 0 113 -2,-0.3 6,-0.2 1,-0.2 5,-0.1 -0.581 34.3-171.7 -71.1 108.4 8.4 56.7 9.0 29 59 A G - 0 0 12 4,-2.7 3,-0.4 -2,-0.7 2,-0.3 0.388 39.4-111.3 -85.2 3.6 9.8 53.5 10.3 30 60 A G S S- 0 0 25 3,-0.2 -1,-0.3 1,-0.2 5,-0.1 -0.798 82.8 -8.8 105.0-147.5 9.4 54.4 14.0 31 61 A V S S+ 0 0 62 -2,-0.3 2,-1.5 1,-0.3 -1,-0.2 0.884 137.9 57.8 -55.6 -36.4 12.3 55.0 16.4 32 62 A W S > S- 0 0 15 -3,-0.4 3,-2.1 1,-0.2 -1,-0.3 -0.759 87.2-165.9 -90.1 92.7 14.5 53.7 13.5 33 63 A K T 3 S+ 0 0 126 -2,-1.5 -4,-2.7 1,-0.3 -3,-0.2 0.779 80.3 35.5 -54.7 -31.7 13.1 56.5 11.3 34 64 A Q T 3 S+ 0 0 24 -6,-0.2 -1,-0.3 -5,-0.1 171,-0.1 0.262 123.7 38.3-109.8 14.0 14.3 55.0 8.0 35 65 A G S < S- 0 0 1 -3,-2.1 2,-0.3 212,-0.1 -8,-0.1 0.085 88.1 -94.4-126.7-123.8 13.9 51.3 8.9 36 66 A W - 0 0 72 -2,-0.0 2,-0.9 169,-0.0 -7,-0.1 -0.897 49.5 -72.5-156.0 172.5 11.3 49.3 10.8 37 67 A N - 0 0 106 -2,-0.3 2,-0.2 -6,-0.1 -7,-0.1 -0.696 54.1-140.0 -79.8 109.0 10.8 48.0 14.4 38 68 A I - 0 0 9 -2,-0.9 2,-0.3 1,-0.0 256,-0.1 -0.454 20.3-169.1 -72.7 139.1 13.4 45.3 14.7 39 69 A K - 0 0 178 -2,-0.2 2,-0.3 255,-0.1 -1,-0.0 -0.905 4.2-175.6-124.9 150.6 12.3 42.2 16.6 40 70 A Y - 0 0 63 -2,-0.3 254,-0.1 256,-0.0 3,-0.1 -0.975 30.9-110.1-143.8 162.0 14.4 39.3 17.7 41 71 A D > - 0 0 92 -2,-0.3 3,-2.5 1,-0.1 4,-0.4 -0.831 20.9-148.0 -93.3 114.5 14.0 36.0 19.4 42 72 A P G > S+ 0 0 88 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.817 96.3 60.8 -51.0 -32.0 15.4 36.1 22.9 43 73 A L G 3 S+ 0 0 137 1,-0.2 -2,-0.0 -3,-0.1 0, 0.0 0.491 77.5 89.3 -78.0 -3.1 16.3 32.4 22.6 44 74 A K G < S+ 0 0 65 -3,-2.5 2,-0.4 2,-0.0 -1,-0.2 0.916 88.9 47.9 -59.0 -43.7 18.6 33.0 19.6 45 75 A Y S < S+ 0 0 6 -3,-0.7 2,-0.3 -4,-0.4 5,-0.2 -0.794 75.9 146.3-100.8 141.2 21.6 33.5 21.9 46 76 A N B > -F 49 0B 66 3,-1.9 3,-2.2 -2,-0.4 293,-0.0 -0.923 63.0 -61.7-157.8-176.9 22.3 31.1 24.8 47 77 A A T 3 S+ 0 0 68 1,-0.3 3,-0.2 -2,-0.3 -2,-0.0 0.785 133.9 37.8 -45.8 -34.7 25.0 29.5 26.8 48 78 A H T 3 S+ 0 0 183 1,-0.2 -1,-0.3 0, 0.0 2,-0.2 0.455 123.4 40.5-101.6 0.8 26.4 27.7 23.8 49 79 A H B < S+F 46 0B 55 -3,-2.2 -3,-1.9 2,-0.0 -1,-0.2 -0.690 75.6 177.3-147.2 85.1 25.9 30.6 21.3 50 80 A K - 0 0 81 -3,-0.2 2,-0.6 -5,-0.2 292,-0.2 -0.560 33.7-116.5 -93.2 158.1 26.8 34.0 22.8 51 81 A L E -g 342 0C 0 290,-2.2 292,-2.6 289,-0.2 2,-0.6 -0.855 27.8-151.8 -88.8 117.3 26.7 37.4 21.1 52 82 A K E -gh 343 303C 64 250,-2.9 252,-3.5 -2,-0.6 2,-0.5 -0.853 14.3-161.4 -91.9 124.8 30.4 38.7 21.1 53 83 A V E -gh 344 304C 0 290,-2.7 292,-2.0 -2,-0.6 2,-0.6 -0.942 10.2-164.5-117.4 125.3 30.2 42.5 21.2 54 84 A F E -gh 345 305C 10 250,-3.0 252,-3.0 -2,-0.5 2,-0.6 -0.940 3.5-162.2-109.4 114.6 33.1 44.8 20.2 55 85 A V E -gh 346 306C 0 290,-2.6 292,-2.5 -2,-0.6 40,-0.1 -0.842 12.5-162.7 -93.9 117.9 32.8 48.4 21.3 56 86 A V E - h 0 307C 0 250,-2.4 252,-2.7 -2,-0.6 292,-0.1 -0.849 6.2-148.3-113.2 102.2 35.4 50.3 19.1 57 87 A P E + h 0 308C 0 0, 0.0 40,-1.6 0, 0.0 2,-0.3 -0.379 29.7 161.2 -66.5 141.6 36.3 53.8 20.4 58 88 A H E -ih 97 309C 1 250,-1.9 252,-0.6 38,-0.2 2,-0.4 -0.968 31.5-147.2-157.8 166.8 37.2 56.3 17.6 59 89 A S E - h 0 310C 5 38,-0.5 2,-0.7 -2,-0.3 40,-0.4 -0.952 16.8-139.9-146.3 117.2 37.5 60.0 16.8 60 90 A H E - h 0 311C 2 250,-1.9 252,-2.6 -2,-0.4 2,-0.7 -0.705 22.6-174.3 -83.7 113.6 36.7 61.5 13.4 61 91 A N - 0 0 0 -2,-0.7 42,-0.1 250,-0.2 250,-0.0 -0.869 12.9-150.9-115.2 101.4 39.4 64.1 12.7 62 92 A D - 0 0 2 -2,-0.7 2,-2.9 1,-0.1 3,-0.1 -0.543 15.1-136.3 -72.5 124.0 38.8 66.1 9.5 63 93 A P S S- 0 0 0 0, 0.0 6,-0.3 0, 0.0 377,-0.1 -0.410 87.1 -23.5 -77.2 63.0 42.1 67.3 8.0 64 94 A G S S+ 0 0 0 -2,-2.9 4,-0.2 4,-0.3 378,-0.1 0.160 82.1 128.1 104.5 138.3 40.3 70.6 7.5 65 95 A W S S+ 0 0 34 2,-2.5 384,-2.5 -3,-0.1 387,-0.2 -0.319 90.0 8.2-174.5 -83.6 36.7 71.5 7.2 66 96 A I S S+ 0 0 48 382,-0.2 2,-0.3 2,-0.1 385,-0.1 0.702 141.6 26.9 -86.8 -26.8 35.4 74.3 9.6 67 97 A Q S S- 0 0 46 1,-0.1 -2,-2.5 385,-0.0 382,-0.1 -0.815 99.1 -98.7-125.0 165.5 38.9 75.1 10.6 68 98 A T > - 0 0 13 -2,-0.3 4,-2.7 -4,-0.2 -4,-0.3 -0.343 41.5 -98.3 -77.6 166.7 42.2 74.5 8.6 69 99 A F H > S+ 0 0 13 -6,-0.3 4,-2.5 1,-0.2 -5,-0.2 0.928 125.2 45.2 -48.3 -52.5 44.3 71.4 9.2 70 100 A E H > S+ 0 0 61 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.859 111.3 52.7 -67.5 -33.4 46.7 73.3 11.4 71 101 A E H > S+ 0 0 66 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.935 113.5 43.1 -65.5 -45.9 43.9 75.1 13.4 72 102 A Y H X>S+ 0 0 10 -4,-2.7 4,-2.8 1,-0.2 5,-1.8 0.920 112.5 54.3 -67.5 -39.7 42.2 71.7 14.2 73 103 A Y H <>S+ 0 0 5 -4,-2.5 5,-2.3 -5,-0.3 6,-0.3 0.946 114.8 40.0 -60.6 -42.1 45.6 70.2 15.0 74 104 A Q H <5S+ 0 0 63 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.907 123.3 37.2 -72.4 -41.6 46.4 72.9 17.5 75 105 A H H <5S- 0 0 97 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.771 138.1 -6.3 -83.3 -24.9 42.9 73.3 19.1 76 106 A D T >X5S+ 0 0 24 -4,-2.8 4,-2.4 -5,-0.3 3,-0.6 0.683 116.3 57.7-133.1 -60.8 41.9 69.6 19.1 77 107 A T H 3> S+ 0 0 74 -3,-0.6 4,-2.9 -6,-0.3 5,-0.3 0.876 110.9 52.4 -74.7 -40.0 45.2 67.0 22.6 80 110 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.945 115.5 40.6 -59.2 -48.2 43.2 64.0 21.4 81 111 A L H X S+ 0 0 4 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.893 114.6 52.2 -70.3 -37.2 46.4 62.1 20.5 82 112 A S H X S+ 0 0 55 -4,-2.2 4,-2.1 -5,-0.3 -2,-0.2 0.945 115.2 41.4 -62.9 -47.2 48.3 63.3 23.6 83 113 A N H X S+ 0 0 25 -4,-2.9 4,-3.2 2,-0.2 5,-0.2 0.851 110.5 57.2 -70.2 -30.5 45.4 62.1 25.8 84 114 A A H X S+ 0 0 4 -4,-2.4 4,-2.8 -5,-0.3 5,-0.4 0.936 107.8 49.3 -62.8 -42.9 45.0 58.9 23.8 85 115 A L H X S+ 0 0 4 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.965 115.2 43.0 -60.7 -50.6 48.7 58.1 24.5 86 116 A R H X S+ 0 0 127 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.935 117.2 45.4 -61.7 -50.8 48.3 58.7 28.2 87 117 A H H X S+ 0 0 6 -4,-3.2 4,-1.2 2,-0.2 -1,-0.2 0.892 115.2 44.2 -65.0 -41.2 45.0 56.9 28.6 88 118 A L H < S+ 0 0 0 -4,-2.8 3,-0.3 -5,-0.2 -1,-0.2 0.895 111.6 55.2 -69.7 -40.0 45.8 53.8 26.6 89 119 A H H < S+ 0 0 91 -4,-2.4 -2,-0.2 -5,-0.4 -1,-0.2 0.962 115.5 39.0 -53.6 -49.3 49.2 53.6 28.3 90 120 A D H < S+ 0 0 92 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.617 116.2 49.5 -78.9 -13.5 47.5 53.6 31.7 91 121 A N >< - 0 0 29 -4,-1.2 3,-2.2 -3,-0.3 -1,-0.2 -0.786 66.8-169.1-131.4 86.6 44.4 51.4 31.0 92 122 A P T 3 S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.691 84.6 51.0 -47.8 -30.9 45.7 48.2 29.2 93 123 A E T 3 S+ 0 0 145 2,-0.1 253,-0.2 254,-0.0 2,-0.1 0.559 86.3 99.4 -88.4 -11.6 42.2 47.1 28.2 94 124 A M < - 0 0 1 -3,-2.2 2,-0.3 -6,-0.2 -3,-0.1 -0.498 55.7-165.6 -74.0 149.3 41.1 50.3 26.6 95 125 A K - 0 0 32 -40,-0.1 2,-0.3 -2,-0.1 33,-0.2 -0.880 11.7-179.0-131.9 164.7 41.3 50.4 22.7 96 126 A F E - j 0 128C 1 31,-2.2 33,-2.7 -2,-0.3 2,-0.4 -0.962 15.0-144.6-164.1 141.8 41.2 53.1 20.0 97 127 A I E -ij 58 129C 3 -40,-1.6 -38,-0.5 -2,-0.3 2,-0.4 -0.893 11.6-158.9-114.1 148.2 41.4 53.2 16.2 98 128 A W E + j 0 130C 1 31,-2.5 33,-2.2 -2,-0.4 35,-0.2 -0.992 16.0 170.8-130.0 131.2 43.0 56.0 14.2 99 129 A A + 0 0 7 -2,-0.4 2,-1.0 -40,-0.4 34,-0.3 0.837 57.4 73.2-103.6 -44.2 42.3 56.8 10.5 100 130 A E > + 0 0 2 1,-0.2 4,-1.7 33,-0.1 3,-0.5 -0.647 47.5 179.4 -86.8 98.8 44.0 60.1 9.4 101 131 A I H > S+ 0 0 0 33,-2.6 4,-3.5 -2,-1.0 5,-0.4 0.814 75.9 69.9 -70.9 -28.2 47.8 59.7 9.1 102 132 A S H > S+ 0 0 3 33,-2.3 4,-1.8 32,-0.3 -1,-0.2 0.940 108.2 38.8 -50.0 -48.5 48.4 63.3 8.1 103 133 A Y H > S+ 0 0 0 -3,-0.5 4,-2.4 32,-0.4 -1,-0.2 0.907 115.1 52.6 -68.9 -44.2 47.5 64.3 11.7 104 134 A F H X S+ 0 0 0 -4,-1.7 4,-3.1 1,-0.2 -2,-0.2 0.919 110.9 46.7 -61.3 -41.1 49.2 61.3 13.3 105 135 A A H X S+ 0 0 4 -4,-3.5 4,-2.1 2,-0.2 -1,-0.2 0.900 110.3 52.9 -66.9 -40.6 52.5 62.1 11.5 106 136 A R H X S+ 0 0 65 -4,-1.8 4,-0.6 -5,-0.4 -1,-0.2 0.909 115.6 42.6 -58.9 -41.0 52.2 65.8 12.4 107 137 A F H >X S+ 0 0 11 -4,-2.4 3,-1.3 1,-0.2 4,-0.7 0.960 111.2 52.4 -67.9 -56.8 51.8 64.7 16.1 108 138 A Y H >< S+ 0 0 4 -4,-3.1 3,-1.0 1,-0.3 -2,-0.2 0.845 104.0 55.5 -53.1 -42.7 54.4 62.0 16.2 109 139 A H H 3< S+ 0 0 80 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.762 106.0 53.5 -68.1 -20.3 57.2 64.1 14.9 110 140 A D H << S+ 0 0 106 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.2 0.606 90.7 101.2 -84.0 -12.0 56.6 66.6 17.6 111 141 A L S << S- 0 0 26 -3,-1.0 2,-0.1 -4,-0.7 -3,-0.0 -0.379 75.5-116.6 -73.8 148.0 56.8 63.9 20.4 112 142 A G > - 0 0 47 1,-0.1 4,-2.7 -2,-0.1 5,-0.2 -0.383 34.6-102.2 -75.6 164.5 59.9 63.5 22.5 113 143 A E H > S+ 0 0 117 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.880 121.7 56.2 -56.2 -42.3 61.8 60.2 22.2 114 144 A N H > S+ 0 0 112 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.932 112.2 42.0 -56.6 -46.7 60.3 58.9 25.5 115 145 A K H > S+ 0 0 94 -3,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.874 108.4 58.3 -71.0 -38.3 56.8 59.4 24.2 116 146 A K H X S+ 0 0 41 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.906 108.7 48.5 -56.5 -36.9 57.5 58.1 20.6 117 147 A L H X S+ 0 0 94 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.889 109.3 49.9 -72.4 -37.5 58.5 54.9 22.4 118 148 A Q H X S+ 0 0 44 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.895 112.2 50.4 -66.3 -36.3 55.4 54.7 24.5 119 149 A M H X S+ 0 0 2 -4,-2.5 4,-1.4 2,-0.2 5,-0.2 0.935 107.8 50.8 -66.2 -47.2 53.4 55.3 21.3 120 150 A K H X S+ 0 0 78 -4,-2.5 4,-3.0 1,-0.2 -1,-0.2 0.873 109.2 55.4 -59.2 -32.7 55.1 52.5 19.4 121 151 A S H X S+ 0 0 65 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.888 105.9 46.3 -69.4 -41.7 54.4 50.2 22.4 122 152 A I H <>S+ 0 0 4 -4,-1.7 6,-2.4 2,-0.2 5,-1.0 0.721 117.0 47.3 -76.6 -14.6 50.6 50.8 22.5 123 153 A V H ><5S+ 0 0 12 -4,-1.4 3,-1.7 4,-0.2 -2,-0.2 0.905 112.1 48.6 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114.5 45.6 -51.6 -50.0 38.3 59.4 28.3 321 351 A D H X S+ 0 0 63 -4,-2.4 4,-2.6 1,-0.2 5,-0.5 0.918 110.2 50.5 -60.1 -48.9 37.4 58.6 31.9 322 352 A V H X S+ 0 0 27 -4,-2.6 4,-1.2 1,-0.2 5,-0.2 0.913 117.1 40.6 -63.5 -37.9 33.7 59.2 31.7 323 353 A Q H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 5,-0.2 0.962 119.0 44.8 -73.0 -49.7 33.4 57.0 28.6 324 354 A R H X S+ 0 0 31 -4,-3.0 4,-2.6 -5,-0.3 5,-0.2 0.944 114.5 46.0 -60.2 -51.1 35.8 54.2 29.7 325 355 A V H X S+ 0 0 37 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.898 113.1 47.6 -61.0 -47.0 34.5 53.9 33.3 326 356 A N H X S+ 0 0 4 -4,-1.2 4,-2.0 -5,-0.5 -1,-0.2 0.945 114.1 47.4 -62.5 -43.8 30.8 53.8 32.6 327 357 A Y H X S+ 0 0 2 -4,-2.1 4,-3.0 -5,-0.2 -2,-0.2 0.896 108.2 55.1 -66.8 -34.7 31.3 51.2 29.8 328 358 A E H X S+ 0 0 76 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.896 107.4 50.5 -64.1 -36.1 33.5 49.0 32.0 329 359 A R H X S+ 0 0 98 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.919 111.5 49.0 -65.9 -42.0 30.7 48.9 34.6 330 360 A L H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 5,-0.3 0.925 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