==== 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-SEP-08 3EJR . COMPND 2 MOLECULE: ALPHA-MANNOSIDASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; . AUTHOR D.A.KUNTZ,K.SHEA,D.R.ROSE . 1016 1 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36329.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 663 65.3 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 . 214 21.1 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 . 84 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 8.6 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 . 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 . 8 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 30 A Q 0 0 249 0, 0.0 2,-0.2 0, 0.0 1002,-0.1 0.000 360.0 360.0 360.0 -94.4 45.2 34.1 -19.1 2 31 A a - 0 0 61 1,-0.1 2,-0.1 1000,-0.1 1000,-0.0 -0.474 360.0-111.6 -71.4 139.9 43.5 37.5 -18.7 3 32 A Q - 0 0 45 -2,-0.2 2,-0.7 1001,-0.1 -1,-0.1 -0.390 30.0-115.2 -62.1 145.0 39.8 37.7 -17.7 4 33 A D > - 0 0 55 1,-0.1 4,-0.5 -2,-0.1 220,-0.2 -0.788 28.9-172.0 -85.1 114.0 37.5 39.0 -20.5 5 34 A V T 4 S+ 0 0 4 -2,-0.7 -1,-0.1 1,-0.1 877,-0.1 0.452 77.5 42.9 -90.4 2.5 36.1 42.3 -19.1 6 35 A V T 4 S+ 0 0 15 869,-0.1 871,-0.5 870,-0.1 -1,-0.1 0.796 112.9 37.8-111.0 -45.0 33.6 42.8 -21.9 7 36 A Q T 4 S+ 0 0 129 869,-0.2 2,-0.6 1,-0.1 -2,-0.1 0.410 97.7 73.5-103.5 -3.8 31.8 39.6 -22.8 8 37 A D < - 0 0 71 -4,-0.5 -1,-0.1 214,-0.2 216,-0.1 -0.904 67.0-151.7-117.5 103.0 31.2 37.8 -19.5 9 38 A V - 0 0 59 -2,-0.6 213,-0.1 1,-0.1 871,-0.1 -0.582 26.9-121.4 -73.0 118.6 28.5 39.4 -17.3 10 39 A P - 0 0 14 0, 0.0 2,-0.8 0, 0.0 214,-0.1 -0.307 12.6-132.7 -63.6 145.7 29.4 38.6 -13.6 11 40 A N + 0 0 143 213,-0.3 2,-0.3 2,-0.0 3,-0.0 -0.875 39.7 162.9 -97.8 108.7 26.9 36.7 -11.5 12 41 A V - 0 0 20 -2,-0.8 3,-0.2 1,-0.1 359,-0.1 -0.904 45.8-129.5-126.5 152.9 26.6 38.6 -8.2 13 42 A D S S+ 0 0 104 -2,-0.3 2,-0.4 357,-0.3 358,-0.2 0.868 101.2 28.2 -68.2 -37.2 24.0 38.5 -5.4 14 43 A V E +a 371 0A 8 356,-1.9 358,-2.1 -3,-0.0 2,-0.5 -0.990 63.6 179.6-129.3 119.7 23.6 42.2 -5.4 15 44 A Q E > -a 372 0A 27 -2,-0.4 4,-2.7 356,-0.2 3,-0.4 -0.988 23.1-145.7-118.3 117.1 24.2 44.4 -8.5 16 45 A M H > S+ 0 0 6 356,-2.4 4,-2.5 -2,-0.5 357,-0.1 0.786 95.3 51.7 -64.1 -31.4 23.5 48.0 -7.6 17 46 A L H > S+ 0 0 33 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.922 113.8 45.9 -67.0 -40.8 22.1 49.1 -11.0 18 47 A E H > S+ 0 0 87 -3,-0.4 4,-1.7 2,-0.2 -2,-0.2 0.912 112.0 51.4 -65.7 -44.6 19.7 46.2 -10.9 19 48 A L H X S+ 0 0 6 -4,-2.7 4,-2.9 1,-0.2 3,-0.3 0.941 108.8 51.3 -58.2 -45.6 18.8 46.9 -7.2 20 49 A Y H < S+ 0 0 20 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.866 106.8 54.1 -56.4 -40.5 18.1 50.6 -8.2 21 50 A D H < S+ 0 0 83 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.873 116.3 38.1 -63.9 -37.3 15.8 49.5 -11.0 22 51 A R H < S+ 0 0 136 -4,-1.7 -2,-0.2 -3,-0.3 -1,-0.2 0.862 95.7 94.5 -80.7 -43.2 13.7 47.4 -8.5 23 52 A M < - 0 0 9 -4,-2.9 181,-0.0 -5,-0.2 180,-0.0 -0.177 57.1-156.0 -59.7 144.5 13.7 49.6 -5.4 24 53 A S - 0 0 81 179,-0.1 -1,-0.1 2,-0.1 -4,-0.0 0.636 20.1-145.8 -94.9 -17.3 10.9 52.0 -4.8 25 54 A F + 0 0 23 1,-0.2 2,-0.2 178,-0.1 178,-0.1 0.789 28.3 177.2 60.2 31.3 12.8 54.4 -2.5 26 55 A K - 0 0 157 1,-0.1 2,-0.9 177,-0.1 -1,-0.2 -0.492 24.2-146.0 -70.5 135.6 9.7 55.2 -0.3 27 56 A D + 0 0 80 -2,-0.2 2,-0.2 2,-0.0 -1,-0.1 -0.646 35.6 161.4-103.7 74.3 10.6 57.5 2.5 28 57 A I - 0 0 105 -2,-0.9 2,-0.7 7,-0.1 -2,-0.0 -0.651 48.6-101.7-100.0 152.0 8.3 56.3 5.3 29 58 A D - 0 0 117 -2,-0.2 6,-0.2 1,-0.2 5,-0.1 -0.611 32.9-172.3 -70.1 109.5 8.6 56.9 9.0 30 59 A G - 0 0 12 4,-2.5 3,-0.4 -2,-0.7 2,-0.3 0.417 39.9-113.7 -84.8 0.4 10.0 53.6 10.4 31 60 A G S S- 0 0 25 3,-0.3 -1,-0.3 1,-0.2 5,-0.1 -0.819 82.6 -6.9 102.0-144.2 9.5 54.6 14.1 32 61 A V S S+ 0 0 70 -2,-0.3 2,-1.2 1,-0.2 -1,-0.2 0.886 137.0 57.5 -58.3 -38.5 12.5 55.2 16.4 33 62 A W S > S- 0 0 14 -3,-0.4 3,-1.8 1,-0.2 -1,-0.2 -0.807 88.4-163.8 -86.5 94.5 14.7 53.9 13.5 34 63 A K T 3 S+ 0 0 116 -2,-1.2 -4,-2.5 1,-0.3 -3,-0.3 0.782 80.8 33.9 -60.9 -31.6 13.3 56.7 11.3 35 64 A Q T 3 S+ 0 0 27 -6,-0.2 -1,-0.3 -5,-0.2 171,-0.1 0.204 123.6 40.9-109.6 16.3 14.5 55.2 8.0 36 65 A G S < S- 0 0 2 -3,-1.8 2,-0.3 212,-0.1 -8,-0.1 0.057 88.0 -92.9-125.7-126.8 14.1 51.5 8.9 37 66 A W - 0 0 72 -2,-0.1 2,-1.0 169,-0.0 -7,-0.1 -0.913 47.9 -73.2-153.0 172.1 11.5 49.4 10.9 38 67 A N - 0 0 112 -2,-0.3 2,-0.2 -6,-0.1 -7,-0.1 -0.670 55.9-138.8 -76.8 103.8 10.9 48.2 14.4 39 68 A I - 0 0 12 -2,-1.0 2,-0.3 1,-0.0 256,-0.1 -0.433 19.6-166.1 -71.4 134.9 13.5 45.5 14.7 40 69 A K - 0 0 177 -2,-0.2 2,-0.3 255,-0.1 -1,-0.0 -0.908 5.6-175.4-118.0 145.5 12.4 42.3 16.5 41 70 A Y - 0 0 61 -2,-0.3 254,-0.1 256,-0.0 3,-0.0 -0.978 30.6-115.6-138.3 155.8 14.7 39.5 17.8 42 71 A D > - 0 0 92 -2,-0.3 3,-2.4 1,-0.1 4,-0.3 -0.815 20.0-150.1 -86.1 114.0 14.2 36.1 19.4 43 72 A P G > S+ 0 0 91 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.790 95.8 62.1 -56.2 -24.5 15.7 36.3 22.9 44 73 A L G 3 S+ 0 0 142 1,-0.2 -2,-0.0 -3,-0.0 0, 0.0 0.477 77.2 89.1 -80.6 -2.5 16.5 32.5 22.6 45 74 A K G < S+ 0 0 68 -3,-2.4 2,-0.4 2,-0.0 -1,-0.2 0.875 88.3 50.1 -61.5 -39.1 18.9 33.1 19.6 46 75 A Y S < S+ 0 0 8 -3,-0.7 2,-0.2 -4,-0.3 5,-0.2 -0.840 71.5 148.2-104.7 139.9 21.8 33.7 22.0 47 76 A N B > -F 50 0B 68 3,-1.8 3,-1.6 -2,-0.4 293,-0.0 -0.872 62.9 -68.6-154.3-176.8 22.6 31.2 24.8 48 77 A A T 3 S+ 0 0 72 1,-0.3 3,-0.3 -2,-0.2 -2,-0.0 0.798 133.0 41.6 -56.2 -29.7 25.5 29.7 26.8 49 78 A H T 3 S+ 0 0 181 1,-0.2 -1,-0.3 0, 0.0 2,-0.2 0.469 123.5 38.3 -97.9 -3.8 26.8 27.9 23.8 50 79 A H B < S+F 47 0B 61 -3,-1.6 -3,-1.8 2,-0.0 -1,-0.2 -0.672 77.4 174.6-149.4 84.5 26.2 30.7 21.4 51 80 A K - 0 0 76 -3,-0.3 2,-0.6 -5,-0.2 292,-0.2 -0.555 35.3-113.0 -93.1 157.3 26.9 34.2 22.8 52 81 A L E -g 343 0C 0 290,-2.7 292,-2.5 -2,-0.2 2,-0.6 -0.820 28.2-151.4 -87.6 122.9 26.9 37.6 21.2 53 82 A K E -gh 344 304C 101 250,-3.2 252,-3.2 -2,-0.6 2,-0.5 -0.878 13.6-163.7 -99.1 120.1 30.4 39.0 21.1 54 83 A V E -gh 345 305C 0 290,-2.6 292,-2.2 -2,-0.6 2,-0.6 -0.927 9.4-164.5-114.8 123.5 30.4 42.8 21.2 55 84 A F E -gh 346 306C 21 250,-2.9 252,-3.0 -2,-0.5 2,-0.7 -0.923 4.6-161.4-108.1 111.7 33.3 45.0 20.2 56 85 A V E -gh 347 307C 0 290,-2.8 292,-2.5 -2,-0.6 40,-0.1 -0.845 12.3-163.0 -91.2 116.1 33.0 48.6 21.3 57 86 A V E - h 0 308C 0 250,-2.4 252,-2.7 -2,-0.7 292,-0.1 -0.863 6.7-147.6-112.9 100.4 35.5 50.5 19.2 58 87 A P E + h 0 309C 0 0, 0.0 40,-1.9 0, 0.0 2,-0.3 -0.422 29.6 163.6 -67.1 139.5 36.5 54.0 20.4 59 88 A H E -ih 98 310C 2 250,-2.0 252,-0.6 38,-0.2 2,-0.3 -0.954 31.1-150.2-152.0 165.5 37.3 56.5 17.6 60 89 A S E - h 0 311C 6 38,-0.5 2,-0.7 -2,-0.3 40,-0.3 -0.929 17.7-141.1-145.6 115.3 37.7 60.2 16.9 61 90 A H E - h 0 312C 0 250,-2.0 252,-2.8 -2,-0.3 2,-0.6 -0.688 23.4-174.6 -85.3 113.8 36.9 61.6 13.5 62 91 A N - 0 0 0 -2,-0.7 42,-0.1 250,-0.2 250,-0.0 -0.899 11.9-152.1-117.5 106.2 39.5 64.3 12.7 63 92 A D - 0 0 1 -2,-0.6 2,-2.4 1,-0.1 3,-0.1 -0.640 14.8-137.8 -79.4 124.2 39.1 66.4 9.5 64 93 A P S S- 0 0 0 0, 0.0 6,-0.3 0, 0.0 377,-0.1 -0.410 87.7 -19.7 -74.6 65.2 42.3 67.7 8.0 65 94 A G S S+ 0 0 0 -2,-2.4 4,-0.2 4,-0.3 378,-0.2 0.176 81.5 127.0 101.6 135.5 40.5 71.0 7.4 66 95 A W S S+ 0 0 36 2,-2.2 384,-2.7 -3,-0.1 387,-0.2 -0.357 91.8 3.1-170.2 -86.2 36.8 71.8 7.2 67 96 A I S S+ 0 0 39 382,-0.2 2,-0.3 2,-0.1 385,-0.1 0.566 141.8 30.4 -87.1 -17.8 35.5 74.7 9.5 68 97 A Q S S- 0 0 52 384,-0.0 -2,-2.2 382,-0.0 382,-0.1 -0.891 96.9 -99.9-128.5 162.1 39.1 75.3 10.6 69 98 A T > - 0 0 14 -2,-0.3 4,-2.8 -4,-0.2 -4,-0.3 -0.353 39.6-101.1 -73.3 166.1 42.4 74.8 8.7 70 99 A F H > S+ 0 0 13 -6,-0.3 4,-2.4 1,-0.2 -5,-0.2 0.935 125.0 45.0 -47.0 -52.8 44.6 71.7 9.3 71 100 A E H > S+ 0 0 66 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.891 111.3 52.4 -68.3 -37.6 46.9 73.7 11.5 72 101 A E H > S+ 0 0 61 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.952 113.4 43.7 -61.6 -48.8 44.1 75.4 13.4 73 102 A Y H X>S+ 0 0 16 -4,-2.8 4,-2.8 1,-0.2 5,-2.0 0.892 111.8 54.9 -62.6 -39.9 42.5 72.1 14.2 74 103 A Y H <>S+ 0 0 6 -4,-2.4 5,-2.4 -5,-0.3 6,-0.3 0.945 114.3 39.4 -59.1 -46.8 45.8 70.5 15.0 75 104 A Q H <5S+ 0 0 66 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.883 124.4 37.7 -70.1 -39.0 46.6 73.3 17.6 76 105 A H H <5S- 0 0 97 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.810 137.2 -6.8 -84.3 -33.8 43.1 73.5 19.1 77 106 A D T >X5S+ 0 0 33 -4,-2.8 4,-2.1 -5,-0.3 3,-0.6 0.701 117.9 56.3-130.3 -61.8 42.0 69.9 19.1 78 107 A T H 3> S+ 0 0 74 -3,-0.6 4,-2.5 -6,-0.3 5,-0.2 0.882 110.1 53.1 -74.4 -39.1 45.4 67.3 22.6 81 110 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.940 114.4 42.0 -59.3 -48.8 43.4 64.2 21.4 82 111 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.902 114.0 51.1 -70.8 -38.7 46.6 62.4 20.5 83 112 A S H X S+ 0 0 59 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.918 115.2 43.1 -60.6 -44.3 48.5 63.5 23.7 84 113 A N H X S+ 0 0 26 -4,-2.5 4,-3.0 2,-0.2 5,-0.3 0.871 110.5 55.3 -75.7 -30.0 45.6 62.3 25.9 85 114 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.2 5,-0.4 0.939 108.1 50.3 -62.0 -43.9 45.1 59.1 23.9 86 115 A L H X S+ 0 0 6 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.955 115.2 42.5 -59.9 -47.3 48.8 58.3 24.5 87 116 A R H X S+ 0 0 128 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.947 117.7 44.4 -63.3 -51.1 48.4 58.9 28.3 88 117 A H H X S+ 0 0 7 -4,-3.0 4,-1.0 2,-0.2 7,-0.2 0.884 115.0 46.1 -69.4 -38.1 45.1 57.2 28.7 89 118 A L H < S+ 0 0 0 -4,-2.7 3,-0.5 -5,-0.3 -1,-0.2 0.917 111.8 53.2 -69.2 -41.6 45.9 54.1 26.7 90 119 A H H < S+ 0 0 85 -4,-2.1 -2,-0.2 -5,-0.4 -1,-0.2 0.943 115.6 40.0 -53.3 -47.4 49.3 53.8 28.4 91 120 A D H < S+ 0 0 90 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.583 116.9 49.6 -83.0 -11.8 47.6 53.9 31.8 92 121 A N >< - 0 0 31 -4,-1.0 3,-1.9 -3,-0.5 -1,-0.2 -0.797 66.7-170.4-132.6 84.9 44.6 51.7 31.0 93 122 A P T 3 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.663 83.5 50.5 -58.5 -21.8 45.8 48.5 29.3 94 123 A E T 3 S+ 0 0 145 2,-0.1 253,-0.2 254,-0.0 2,-0.1 0.550 87.4 101.7 -91.3 -10.9 42.3 47.2 28.2 95 124 A M < - 0 0 3 -3,-1.9 2,-0.3 -6,-0.2 -3,-0.1 -0.473 55.2-166.3 -71.9 147.0 41.3 50.5 26.6 96 125 A K - 0 0 28 -2,-0.1 2,-0.3 -40,-0.1 33,-0.2 -0.878 11.5-178.5-133.2 163.0 41.5 50.7 22.8 97 126 A F E - j 0 129C 0 31,-2.1 33,-2.4 -2,-0.3 2,-0.3 -0.952 14.4-145.4-162.3 140.2 41.4 53.4 20.1 98 127 A I E -ij 59 130C 3 -40,-1.9 -38,-0.5 -2,-0.3 2,-0.4 -0.870 11.8-162.9-111.4 150.2 41.5 53.5 16.3 99 128 A W E + j 0 131C 1 31,-2.2 33,-2.5 -2,-0.3 35,-0.2 -0.998 14.8 170.8-136.7 131.2 43.1 56.3 14.2 100 129 A A + 0 0 7 -2,-0.4 2,-0.9 -40,-0.3 34,-0.4 0.792 55.9 74.8-105.2 -41.4 42.6 57.0 10.5 101 130 A E > - 0 0 4 1,-0.2 4,-1.6 33,-0.1 3,-0.4 -0.693 46.6-178.9 -94.9 102.9 44.3 60.3 9.4 102 131 A I H > S+ 0 0 0 33,-2.5 4,-3.1 -2,-0.9 5,-0.3 0.793 76.5 71.6 -76.3 -21.3 48.1 60.0 9.1 103 132 A S H > S+ 0 0 4 33,-2.2 4,-1.5 32,-0.3 -1,-0.2 0.940 107.8 37.6 -53.4 -47.1 48.6 63.6 8.1 104 133 A Y H > S+ 0 0 0 -3,-0.4 4,-2.6 32,-0.3 -1,-0.2 0.892 115.9 52.0 -68.3 -45.1 47.7 64.5 11.7 105 134 A F H X S+ 0 0 0 -4,-1.6 4,-3.1 1,-0.2 5,-0.2 0.918 109.1 49.5 -63.8 -41.5 49.5 61.6 13.3 106 135 A A H X S+ 0 0 3 -4,-3.1 4,-2.2 2,-0.2 -1,-0.2 0.912 111.1 50.1 -62.6 -43.7 52.8 62.3 11.5 107 136 A R H X S+ 0 0 67 -4,-1.5 4,-1.2 -5,-0.3 -2,-0.2 0.955 115.3 44.0 -57.8 -49.8 52.6 65.9 12.6 108 137 A F H >X S+ 0 0 11 -4,-2.6 4,-0.6 1,-0.2 3,-0.6 0.949 113.1 49.5 -60.4 -52.0 52.0 64.9 16.2 109 138 A Y H >< S+ 0 0 5 -4,-3.1 3,-1.2 1,-0.3 -1,-0.2 0.884 106.6 54.4 -60.4 -42.7 54.6 62.1 16.3 110 139 A H H 3< S+ 0 0 86 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.827 107.5 52.1 -64.7 -27.3 57.4 64.2 14.9 111 140 A D H << S+ 0 0 105 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.569 90.7 102.4 -84.2 -9.1 56.8 66.8 17.6 112 141 A L S << S- 0 0 25 -3,-1.2 2,-0.0 -4,-0.6 -3,-0.0 -0.481 76.9-114.4 -74.1 143.9 57.0 64.3 20.4 113 142 A G > - 0 0 49 -2,-0.2 4,-2.4 1,-0.1 3,-0.3 -0.315 36.4-103.3 -64.4 158.8 60.1 63.8 22.6 114 143 A E H > S+ 0 0 117 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.859 119.6 56.9 -58.8 -39.5 61.9 60.5 22.3 115 144 A N H > S+ 0 0 101 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.927 111.9 42.8 -57.5 -45.5 60.4 59.1 25.6 116 145 A K H > S+ 0 0 91 -3,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.843 108.8 57.6 -72.0 -35.6 56.9 59.7 24.3 117 146 A K H X S+ 0 0 32 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.926 109.2 47.5 -55.2 -45.1 57.7 58.3 20.8 118 147 A L H X S+ 0 0 93 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.917 110.6 50.2 -65.7 -41.2 58.8 55.1 22.5 119 148 A Q H X S+ 0 0 47 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.906 111.7 49.8 -61.4 -41.3 55.6 55.0 24.6 120 149 A M H X S+ 0 0 0 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.923 108.1 51.5 -64.2 -46.6 53.5 55.5 21.4 121 150 A K H X S+ 0 0 80 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.875 108.7 54.3 -57.1 -36.0 55.3 52.8 19.5 122 151 A S H X S+ 0 0 56 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.898 106.0 48.4 -69.7 -40.5 54.6 50.4 22.5 123 152 A I H <>S+ 0 0 2 -4,-1.8 6,-2.3 2,-0.2 5,-1.4 0.727 115.6 46.7 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