==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 31-MAR-05 1Z8Q . COMPND 2 MOLECULE: 6-DEOXYERYTHRONOLIDE B HYDROXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROPOLYSPORA ERYTHRAEA; . AUTHOR S.NAGANO,J.R.CUPP-VICKERY,T.L.POULOS . 403 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17672.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 284 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 28 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 155 38.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 2 0 1 2 0 3 2 2 0 1 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 0 1 0 0 0 0 0 0 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 . 1 3 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 1 0 0 1 0 0 0 0 0 0 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 2 A T 0 0 197 0, 0.0 2,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -57.0 -9.9 -4.7 -2.6 2 3 A T - 0 0 132 1,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.737 360.0-147.1 -86.8 114.0 -7.2 -6.3 -0.3 3 4 A V - 0 0 69 -2,-0.7 28,-0.2 1,-0.1 -1,-0.0 -0.690 23.0-116.5 -82.9 122.3 -5.5 -3.6 1.8 4 5 A P - 0 0 32 0, 0.0 28,-2.8 0, 0.0 2,-0.7 -0.258 17.4-140.8 -58.6 140.9 -1.8 -4.4 2.5 5 6 A D B > -a 32 0A 71 26,-0.2 3,-2.4 1,-0.1 6,-0.2 -0.924 3.6-152.8-106.0 109.6 -0.9 -5.0 6.1 6 7 A L T 3 S+ 0 0 2 26,-2.9 27,-0.1 -2,-0.7 -1,-0.1 0.553 94.1 62.2 -60.6 -6.0 2.5 -3.4 6.7 7 8 A E T 3 S+ 0 0 67 25,-0.3 -1,-0.3 3,-0.0 26,-0.1 0.652 83.3 104.3 -91.8 -17.0 3.1 -6.0 9.5 8 9 A S S X S- 0 0 38 -3,-2.4 3,-1.8 1,-0.1 4,-0.0 -0.139 87.8-110.2 -63.1 158.9 2.9 -8.9 7.0 9 10 A D G >> S+ 0 0 100 1,-0.3 3,-2.3 2,-0.2 4,-1.5 0.706 109.1 82.2 -62.4 -19.8 6.0 -10.7 5.8 10 11 A S G 34 S+ 0 0 64 1,-0.3 8,-0.3 2,-0.2 -1,-0.3 0.720 93.8 47.2 -58.4 -20.5 5.5 -9.1 2.4 11 12 A F G <4 S+ 0 0 3 -3,-1.8 -1,-0.3 -6,-0.2 -2,-0.2 0.221 119.3 36.3-106.9 14.4 7.2 -6.1 3.8 12 13 A H T <4 S+ 0 0 23 -3,-2.3 2,-0.4 1,-0.2 373,-0.2 0.310 108.2 65.0-143.1 -0.2 10.2 -7.8 5.4 13 14 A V S < S- 0 0 85 -4,-1.5 -1,-0.2 1,-0.1 5,-0.1 -0.939 133.0 -27.8-131.1 106.6 10.8 -10.6 2.9 14 15 A D S >> S+ 0 0 97 -2,-0.4 3,-1.9 1,-0.1 4,-1.0 0.866 87.7 168.2 54.2 34.5 11.9 -9.5 -0.6 15 16 A W H 3> + 0 0 13 1,-0.3 4,-1.8 2,-0.2 -1,-0.1 0.602 60.4 66.2 -56.7 -18.8 9.9 -6.4 0.4 16 17 A Y H 3> S+ 0 0 13 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.772 98.1 53.8 -77.5 -22.8 11.2 -4.3 -2.5 17 18 A R H <> S+ 0 0 162 -3,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.888 108.5 51.1 -72.4 -37.4 9.4 -6.6 -5.0 18 19 A T H X S+ 0 0 21 -4,-1.0 4,-1.9 -8,-0.3 -2,-0.2 0.886 108.9 49.7 -63.9 -42.3 6.3 -5.9 -2.9 19 20 A Y H X S+ 0 0 2 -4,-1.8 4,-3.2 1,-0.2 5,-0.2 0.917 108.9 54.0 -62.3 -43.4 6.9 -2.1 -3.1 20 21 A A H X S+ 0 0 13 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.924 106.9 50.3 -56.5 -47.9 7.3 -2.5 -6.9 21 22 A E H X S+ 0 0 113 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.887 114.8 44.1 -59.4 -41.7 3.9 -4.3 -7.2 22 23 A L H >X S+ 0 0 26 -4,-1.9 4,-2.9 2,-0.2 3,-0.6 0.969 110.3 53.0 -67.8 -54.6 2.2 -1.5 -5.2 23 24 A R H 3< S+ 0 0 25 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.902 107.1 54.8 -46.4 -48.2 3.9 1.4 -7.0 24 25 A E H 3< S+ 0 0 157 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.878 115.5 37.1 -54.0 -44.9 2.8 -0.1 -10.3 25 26 A T H << S- 0 0 124 -4,-1.3 -2,-0.2 -3,-0.6 -1,-0.2 0.958 141.2 -15.0 -74.2 -54.8 -0.9 -0.2 -9.2 26 27 A A < - 0 0 25 -4,-2.9 -1,-0.2 -5,-0.1 16,-0.2 -0.805 48.3-153.4-158.5 111.6 -1.0 3.1 -7.2 27 28 A P S S+ 0 0 34 0, 0.0 15,-1.5 0, 0.0 16,-1.1 0.543 99.8 43.5 -60.3 -7.9 2.0 5.1 -5.9 28 29 A V E S+ B 0 41A 4 13,-0.2 13,-0.2 -6,-0.2 272,-0.0 -0.852 82.4 157.3-140.9 96.6 -0.3 6.3 -3.2 29 30 A T E - B 0 40A 17 11,-2.0 11,-3.1 -2,-0.3 2,-0.1 -0.912 43.2-105.0-127.0 154.4 -2.4 3.5 -1.7 30 31 A P E + B 0 39A 70 0, 0.0 2,-0.3 0, 0.0 9,-0.3 -0.455 44.6 172.9 -72.9 145.4 -4.3 2.8 1.5 31 32 A V E - B 0 38A 0 7,-2.9 7,-2.1 -28,-0.2 2,-0.4 -0.907 28.7-120.3-145.5 172.6 -2.7 0.4 3.9 32 33 A R E +aB 5 37A 85 -28,-2.8 -26,-2.9 -2,-0.3 2,-0.3 -0.943 32.5 163.6-119.0 141.7 -3.1 -1.0 7.4 33 34 A F E > - B 0 36A 13 3,-1.9 3,-0.9 -2,-0.4 -2,-0.0 -0.880 65.7 -12.9-162.2 124.4 -0.4 -0.7 10.1 34 35 A L T 3 S- 0 0 30 -2,-0.3 3,-0.1 1,-0.2 -29,-0.0 0.827 127.2 -51.6 53.6 35.9 -0.6 -1.2 13.9 35 36 A G T 3 S+ 0 0 59 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.737 118.3 89.2 78.5 22.9 -4.4 -1.2 13.9 36 37 A Q E < S-B 33 0A 46 -3,-0.9 -3,-1.9 274,-0.0 -1,-0.2 -0.985 75.9-103.7-148.1 157.2 -5.0 2.0 12.0 37 38 A D E +B 32 0A 111 -2,-0.3 273,-0.5 -5,-0.2 2,-0.3 -0.538 44.6 160.7 -80.9 149.3 -5.5 3.1 8.4 38 39 A A E -B 31 0A 2 -7,-2.1 -7,-2.9 -2,-0.2 2,-0.4 -0.910 36.0-114.5-153.9 175.9 -2.7 4.9 6.6 39 40 A W E -Bc 30 311A 48 271,-1.7 273,-2.9 -2,-0.3 2,-0.5 -0.991 21.5-150.1-125.2 128.9 -1.5 5.8 3.1 40 41 A L E -Bc 29 312A 1 -11,-3.1 -11,-2.0 -2,-0.4 2,-0.7 -0.881 4.7-157.7-102.8 125.1 1.7 4.4 1.7 41 42 A V E +Bc 28 313A 2 271,-2.5 273,-2.4 -2,-0.5 -13,-0.2 -0.885 25.7 156.7-105.8 107.8 3.6 6.4 -0.9 42 43 A T + 0 0 0 -15,-1.5 2,-0.2 -2,-0.7 278,-0.2 0.574 43.8 95.0-104.7 -14.4 5.9 4.3 -3.0 43 44 A G > - 0 0 0 -16,-1.1 4,-2.7 1,-0.1 5,-0.2 -0.579 69.6-137.5 -80.5 143.5 6.3 6.5 -6.1 44 45 A Y H > S+ 0 0 8 274,-0.2 4,-2.7 -2,-0.2 5,-0.3 0.957 104.0 45.8 -64.0 -53.0 9.3 8.8 -6.3 45 46 A D H > S+ 0 0 83 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.920 117.0 47.6 -54.7 -44.6 7.5 11.9 -7.7 46 47 A E H > S+ 0 0 34 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.901 111.6 48.1 -64.1 -45.0 4.8 11.3 -5.1 47 48 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.900 112.6 49.1 -65.2 -40.2 7.2 10.8 -2.2 48 49 A K H X S+ 0 0 86 -4,-2.7 4,-1.2 2,-0.2 -1,-0.2 0.894 113.1 47.0 -66.3 -40.6 9.2 13.9 -3.1 49 50 A A H X S+ 0 0 47 -4,-2.1 4,-1.0 -5,-0.3 3,-0.3 0.940 111.3 52.1 -65.6 -46.6 6.0 16.0 -3.4 50 51 A A H >< S+ 0 0 0 -4,-2.7 3,-0.9 1,-0.2 6,-0.2 0.927 110.5 46.3 -55.6 -49.4 4.7 14.6 -0.1 51 52 A L H 3< S+ 0 0 7 -4,-2.4 -1,-0.2 1,-0.2 296,-0.2 0.759 113.4 51.4 -66.6 -23.8 7.8 15.5 1.8 52 53 A S H 3< S+ 0 0 63 -4,-1.2 2,-0.8 -3,-0.3 -1,-0.2 0.575 91.0 88.2 -87.5 -12.7 7.8 19.0 0.1 53 54 A D X< - 0 0 36 -4,-1.0 3,-2.1 -3,-0.9 -1,-0.1 -0.784 60.3-163.9 -93.0 105.9 4.1 19.6 1.1 54 55 A L T 3 S+ 0 0 94 -2,-0.8 -1,-0.1 1,-0.3 4,-0.1 0.629 82.2 78.6 -65.5 -12.6 4.0 21.3 4.6 55 56 A R T 3 S+ 0 0 94 1,-0.2 240,-2.5 2,-0.1 2,-1.2 0.717 81.2 77.9 -66.7 -16.0 0.3 20.5 5.0 56 57 A L E < S-D 294 0A 5 -3,-2.1 238,-0.2 -6,-0.2 -1,-0.2 -0.784 87.7-151.7 -94.6 92.5 1.8 17.1 5.8 57 58 A S E -D 293 0A 2 236,-2.3 236,-2.5 -2,-1.2 -2,-0.1 -0.232 25.1-161.3 -67.6 152.0 2.9 17.8 9.3 58 59 A S + 0 0 4 234,-0.2 -1,-0.1 -4,-0.1 233,-0.1 0.307 64.0 102.8-111.0 2.2 5.7 16.1 11.2 59 60 A D > - 0 0 19 234,-0.2 3,-0.8 1,-0.1 33,-0.1 -0.785 43.1-178.9 -98.0 108.3 4.5 17.2 14.7 60 61 A P T 3 S+ 0 0 3 0, 0.0 -1,-0.1 0, 0.0 9,-0.1 0.568 79.6 67.2 -77.2 -8.8 2.7 14.4 16.7 61 62 A K T 3 S+ 0 0 51 30,-0.3 2,-0.1 25,-0.2 31,-0.0 0.625 73.1 106.2 -87.0 -15.8 2.1 16.9 19.5 62 63 A K < - 0 0 82 -3,-0.8 2,-0.4 1,-0.1 7,-0.2 -0.432 63.0-142.5 -67.0 138.2 -0.4 19.0 17.6 63 64 A K - 0 0 192 -2,-0.1 5,-0.1 5,-0.1 -2,-0.1 -0.832 15.5-170.6-106.8 143.6 -4.0 18.5 18.7 64 65 A Y > - 0 0 38 3,-0.5 3,-2.3 -2,-0.4 5,-0.1 -0.991 38.0 -88.8-133.3 139.3 -7.1 18.5 16.5 65 66 A P T 3 S- 0 0 115 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.198 108.4 -5.3 -49.4 120.1 -10.8 18.5 17.5 66 67 A G T 3 S+ 0 0 97 1,-0.2 2,-0.4 0, 0.0 -3,-0.0 0.516 109.9 117.0 72.4 6.1 -12.1 15.0 18.0 67 68 A V < - 0 0 41 -3,-2.3 2,-0.7 2,-0.0 -3,-0.5 -0.863 52.6-157.0-112.6 141.7 -8.9 13.4 16.8 68 69 A E - 0 0 170 -2,-0.4 2,-0.2 -3,-0.1 -5,-0.1 -0.894 23.3-145.3-114.1 95.4 -6.4 11.2 18.6 69 70 A V + 0 0 15 -2,-0.7 2,-0.4 -7,-0.2 224,-0.0 -0.443 21.8 179.5 -64.5 125.8 -3.1 11.7 16.7 70 71 A E - 0 0 103 -2,-0.2 5,-0.1 5,-0.0 -2,-0.0 -0.857 14.3-165.0-136.4 101.3 -1.1 8.4 16.7 71 72 A F > - 0 0 18 -2,-0.4 3,-2.1 1,-0.1 222,-0.0 -0.714 24.1-134.4 -81.7 128.8 2.3 8.2 15.0 72 73 A P G > S+ 0 0 8 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.852 101.1 66.3 -49.6 -39.8 3.3 4.5 14.5 73 74 A A G 3 S+ 0 0 20 1,-0.3 317,-0.0 3,-0.0 -2,-0.0 0.642 94.9 57.8 -59.8 -17.6 6.8 5.2 15.8 74 75 A Y G X S+ 0 0 45 -3,-2.1 3,-2.1 3,-0.1 -1,-0.3 -0.018 73.9 153.4-105.6 30.9 5.5 6.0 19.2 75 76 A L T < S+ 0 0 36 -3,-1.5 102,-0.1 1,-0.3 -41,-0.0 -0.403 73.4 8.3 -60.9 123.5 3.8 2.7 19.8 76 77 A G T 3 S+ 0 0 36 1,-0.2 -1,-0.3 -2,-0.2 112,-0.1 0.467 96.6 138.4 83.1 1.8 3.6 1.9 23.5 77 78 A F < - 0 0 25 -3,-2.1 -1,-0.2 111,-0.1 -3,-0.1 -0.688 51.7-133.2 -87.2 124.8 4.8 5.4 24.4 78 79 A P > - 0 0 49 0, 0.0 4,-2.6 0, 0.0 5,-0.2 -0.334 33.0-107.2 -66.2 159.8 3.2 7.2 27.4 79 80 A E H > S+ 0 0 133 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.897 119.5 49.9 -59.0 -42.2 2.3 10.8 26.4 80 81 A D H > S+ 0 0 80 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.907 112.1 48.7 -64.1 -38.4 5.1 12.4 28.5 81 82 A V H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.921 109.2 52.8 -65.7 -42.8 7.6 9.9 27.0 82 83 A R H X S+ 0 0 35 -4,-2.6 4,-2.0 1,-0.2 3,-0.3 0.937 107.7 52.0 -56.0 -48.1 6.4 10.8 23.5 83 84 A N H < S+ 0 0 52 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.859 106.4 52.9 -58.1 -38.6 6.9 14.5 24.3 84 85 A Y H < S+ 0 0 72 -4,-1.7 3,-0.4 1,-0.2 -1,-0.3 0.859 116.5 40.3 -64.4 -35.3 10.5 13.8 25.4 85 86 A F H < S+ 0 0 13 -4,-1.8 -2,-0.2 -3,-0.3 -1,-0.2 0.687 119.0 48.1 -84.7 -20.8 11.0 12.1 22.1 86 87 A A S < S+ 0 0 0 -4,-2.0 -25,-0.2 -5,-0.2 -1,-0.2 -0.109 77.8 90.1-118.9 38.2 9.1 14.6 20.0 87 88 A T S S+ 0 0 27 -3,-0.4 146,-0.3 141,-0.2 2,-0.2 -0.405 74.4 87.2-125.2 54.5 10.1 18.1 20.9 88 89 A N S > S- 0 0 5 144,-0.2 3,-1.7 -3,-0.1 13,-0.1 -0.829 94.8 -78.1-141.4 177.6 12.9 18.5 18.3 89 90 A M G > S+ 0 0 19 1,-0.3 3,-1.7 -2,-0.2 12,-0.1 0.891 124.7 52.4 -46.8 -52.4 13.5 19.5 14.7 90 91 A G G 3 S+ 0 0 46 1,-0.3 -1,-0.3 143,-0.0 258,-0.1 0.641 115.1 42.2 -62.8 -16.2 12.2 16.2 13.2 91 92 A T G < S+ 0 0 7 -3,-1.7 -30,-0.3 -32,-0.1 2,-0.3 -0.046 103.1 85.0-120.2 28.1 9.0 16.5 15.2 92 93 A S < - 0 0 3 -3,-1.7 -34,-0.1 -33,-0.1 -5,-0.0 -0.923 58.0-150.8-130.2 154.1 8.3 20.2 14.7 93 94 A D >> - 0 0 16 -2,-0.3 4,-2.1 -36,-0.1 3,-0.6 -0.836 47.7 -47.6-117.2 159.1 6.7 22.3 12.0 94 95 A P T 34 S+ 0 0 52 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.325 118.6 28.8 -61.0 150.6 7.6 25.9 11.1 95 96 A P T 3> S+ 0 0 107 0, 0.0 4,-1.8 0, 0.0 5,-0.2 -0.980 131.4 39.0 -79.3 -21.2 8.0 28.4 12.8 96 97 A T H <> S+ 0 0 61 -3,-0.6 4,-2.3 1,-0.2 5,-0.2 0.935 117.2 52.0 -52.7 -50.8 9.2 26.2 15.7 97 98 A H H X S+ 0 0 5 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.921 106.0 55.6 -51.4 -49.6 11.1 23.9 13.4 98 99 A T H > S+ 0 0 77 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.906 110.4 42.1 -53.0 -51.4 12.9 26.8 11.8 99 100 A R H X S+ 0 0 59 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.905 114.7 51.3 -67.5 -39.4 14.4 28.2 15.0 100 101 A L H X S+ 0 0 1 -4,-2.3 4,-2.5 -5,-0.2 5,-0.2 0.944 112.3 45.9 -61.2 -49.3 15.3 24.8 16.4 101 102 A R H X S+ 0 0 62 -4,-2.9 4,-2.5 -5,-0.2 -1,-0.2 0.923 113.7 48.7 -60.8 -45.3 17.1 23.8 13.3 102 103 A K H X S+ 0 0 100 -4,-2.2 4,-0.9 -5,-0.3 -1,-0.2 0.912 111.3 49.6 -62.7 -43.1 19.0 27.1 13.0 103 104 A L H >< S+ 0 0 0 -4,-2.5 3,-0.9 1,-0.2 4,-0.5 0.951 115.0 43.6 -61.6 -47.5 20.0 27.1 16.6 104 105 A V H >X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 3,-1.2 0.851 107.3 61.2 -65.9 -33.5 21.3 23.5 16.3 105 106 A S H 3< S+ 0 0 51 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.709 91.6 68.7 -65.5 -20.9 23.0 24.3 13.0 106 107 A Q T << S+ 0 0 73 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.799 117.9 18.5 -68.8 -27.9 25.1 26.9 14.8 107 108 A E T <4 S+ 0 0 54 -3,-1.2 2,-2.1 -4,-0.5 -2,-0.2 0.729 110.1 71.4-113.2 -34.0 27.0 24.1 16.6 108 109 A F S < S+ 0 0 24 -4,-2.9 2,-0.2 4,-0.1 -1,-0.1 -0.510 79.9 152.0 -85.0 71.8 26.4 20.9 14.7 109 110 A T > - 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0 0 16 -8,-0.7 -2,-0.0 -11,-0.4 -3,-0.0 -0.646 46.1-138.4 -79.7 120.3 16.8 26.0 23.3 226 227 A S > - 0 0 50 -2,-0.5 4,-3.1 1,-0.1 5,-0.3 -0.227 31.1-100.3 -67.0 166.6 14.2 25.6 26.1 227 228 A A H > S+ 0 0 56 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.928 125.6 45.9 -56.6 -47.3 14.9 22.9 28.7 228 229 A D H > S+ 0 0 109 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.886 114.5 48.3 -62.8 -40.9 12.4 20.6 27.0 229 230 A E H > S+ 0 0 27 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.924 112.3 48.1 -66.0 -45.1 13.8 21.3 23.5 230 231 A L H X S+ 0 0 2 -4,-3.1 4,-2.2 2,-0.2 -2,-0.2 0.912 113.7 47.9 -61.8 -44.1 17.4 20.8 24.6 231 232 A T H X S+ 0 0 13 -4,-2.4 4,-1.8 -5,-0.3 -2,-0.2 0.927 115.5 43.5 -63.9 -45.9 16.5 17.5 26.3 232 233 A S H X S+ 0 0 0 -4,-2.5 4,-2.2 -145,-0.2 5,-0.2 0.881 113.2 50.2 -69.6 -39.2 14.5 16.2 23.3 233 234 A I H X S+ 0 0 1 -4,-2.7 4,-2.8 -146,-0.3 5,-0.2 0.933 110.8 50.9 -64.2 -44.0 17.1 17.3 20.7 234 235 A A H X S+ 0 0 2 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.903 108.5 52.9 -58.2 -42.7 19.8 15.6 22.7 235 236 A L H X S+ 0 0 0 -4,-1.8 4,-2.0 -151,-0.2 -2,-0.2 0.950 113.1 41.2 -59.7 -52.5 17.7 12.4 22.9 236 237 A V H X>S+ 0 0 46 -4,-2.2 4,-2.7 1,-0.2 5,-0.7 0.902 111.7 55.4 -65.1 -41.8 17.2 12.2 19.1 237 238 A L H X5S+ 0 0 23 -4,-2.8 4,-1.1 -5,-0.2 -1,-0.2 0.900 108.6 51.0 -57.7 -39.0 20.8 13.2 18.3 238 239 A L H <5S+ 0 0 0 -4,-2.0 4,-0.4 -5,-0.2 5,-0.2 0.969 120.6 31.1 -62.6 -55.4 21.9 10.3 20.5 239 240 A L H >X5S+ 0 0 19 -4,-2.0 4,-2.2 1,-0.2 3,-1.6 0.974 126.1 40.8 -69.6 -57.5 19.8 7.7 18.9 240 241 A A H 3X5S+ 0 0 49 -4,-2.7 4,-0.6 1,-0.3 5,-0.3 0.781 107.3 70.2 -61.6 -24.9 19.6 9.0 15.3 241 242 A G H 3< S+ 0 0 0 -3,-1.6 4,-2.2 -4,-0.4 5,-0.2 0.663 114.3 66.7-128.8 -39.0 24.5 6.2 15.8 243 244 A E H X S+ 0 0 10 -4,-2.2 4,-2.0 -5,-0.2 -3,-0.2 0.860 102.1 52.6 -55.7 -39.0 21.8 3.8 14.7 244 245 A T H X S+ 0 0 48 -4,-0.6 4,-2.7 -5,-0.4 -1,-0.2 0.936 110.7 45.9 -63.5 -46.6 21.7 5.2 11.2 245 246 A S H > S+ 0 0 5 -5,-0.3 4,-2.9 1,-0.2 5,-0.2 0.836 108.6 57.0 -66.2 -32.5 25.5 4.7 10.7 246 247 A V H X S+ 0 0 3 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.930 110.1 44.9 -63.1 -43.4 25.2 1.2 12.2 247 248 A S H X S+ 0 0 2 -4,-2.0 4,-3.2 2,-0.2 5,-0.4 0.940 113.3 50.7 -64.4 -47.2 22.7 0.4 9.5 248 249 A L H X S+ 0 0 8 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.937 113.8 43.3 -56.3 -50.8 24.9 2.0 6.8 249 250 A I H X S+ 0 0 0 -4,-2.9 4,-1.8 -105,-0.2 -1,-0.2 0.903 118.6 43.9 -64.9 -42.1 28.0 0.2 7.8 250 251 A G H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.942 119.0 41.1 -68.7 -50.0 26.3 -3.2 8.2 251 252 A I H X S+ 0 0 1 -4,-3.2 4,-3.1 -5,-0.2 5,-0.2 0.916 116.1 51.3 -64.3 -43.1 24.2 -3.0 5.0 252 253 A G H X S+ 0 0 0 -4,-2.8 4,-2.2 -5,-0.4 5,-0.2 0.866 110.4 48.5 -62.5 -37.6 27.1 -1.5 3.1 253 254 A T H X S+ 0 0 0 -4,-1.8 4,-2.1 -5,-0.2 -1,-0.2 0.924 114.4 46.3 -67.6 -43.7 29.4 -4.3 4.2 254 255 A Y H X S+ 0 0 27 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.912 113.3 48.2 -64.2 -46.0 26.9 -6.9 3.3 255 256 A L H < S+ 0 0 2 -4,-3.1 4,-0.4 2,-0.2 3,-0.4 0.955 114.4 44.3 -61.5 -52.2 26.1 -5.3 -0.1 256 257 A L H >< S+ 0 0 0 -4,-2.2 3,-0.9 1,-0.2 7,-0.3 0.891 113.7 52.5 -59.9 -38.7 29.8 -5.0 -1.1 257 258 A L H 3< S+ 0 0 17 -4,-2.1 119,-0.3 -5,-0.2 -1,-0.2 0.793 112.6 44.3 -67.5 -29.2 30.4 -8.5 0.2 258 259 A T T 3< S+ 0 0 35 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.287 101.7 70.0-101.1 9.2 27.6 -10.0 -1.9 259 260 A H <> - 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