==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 31-JUL-97 1PFO . COMPND 2 MOLECULE: PERFRINGOLYSIN O; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PERFRINGENS; . AUTHOR J.ROSSJOHN,M.W.PARKER . 471 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23288.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 319 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 140 29.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 3 0.6 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 . 1 0.2 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 . 46 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 67 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.5 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 1 2 1 2 0 2 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 0 0 PARALLEL BRIDGES PER LADDER . 5 1 4 2 1 0 4 2 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 2 1 0 0 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 D 0 0 115 0, 0.0 6,-0.2 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 41.3 12.6 142.3 -18.3 2 31 A I > - 0 0 54 4,-0.3 3,-0.9 1,-0.2 5,-0.0 0.434 360.0 -78.8 -47.7-170.6 10.7 144.8 -16.2 3 32 A T T 3 S+ 0 0 143 1,-0.2 -1,-0.2 2,-0.1 0, 0.0 0.015 120.4 86.7 -84.1 24.6 11.7 148.3 -15.3 4 33 A D T 3 S- 0 0 62 2,-0.1 -1,-0.2 0, 0.0 -2,-0.1 0.463 88.8-137.3-104.6 -12.5 13.7 146.3 -12.8 5 34 A K S < S+ 0 0 151 -3,-0.9 2,-0.8 1,-0.1 -2,-0.1 0.521 77.4 106.5 61.3 5.7 16.9 145.5 -14.9 6 35 A N + 0 0 24 1,-0.1 -4,-0.3 6,-0.0 -1,-0.1 -0.851 39.4 146.0-112.0 88.9 16.9 141.9 -13.6 7 36 A Q + 0 0 65 -2,-0.8 2,-0.3 -6,-0.2 -1,-0.1 -0.367 41.6 69.5-132.4 54.6 15.7 140.3 -16.8 8 37 A S S >> S- 0 0 52 1,-0.0 4,-4.9 213,-0.0 3,-0.6 -0.780 78.3-129.2-167.0 116.1 17.3 136.9 -17.1 9 38 A I H 3> S+ 0 0 16 -2,-0.3 4,-2.4 1,-0.3 5,-0.2 0.850 113.3 51.7 -39.8 -39.2 16.2 134.2 -14.8 10 39 A D H 3> S+ 0 0 48 2,-0.2 4,-2.7 1,-0.2 -1,-0.3 0.900 117.4 34.5 -67.6 -45.7 19.9 133.8 -14.1 11 40 A S H <> S+ 0 0 39 -3,-0.6 4,-2.9 2,-0.2 -2,-0.2 0.853 116.9 56.2 -76.2 -37.1 20.7 137.4 -13.3 12 41 A G H < S+ 0 0 1 -4,-4.9 -2,-0.2 1,-0.2 -3,-0.2 0.921 117.7 34.7 -58.5 -43.5 17.3 137.8 -11.7 13 42 A I H >< S+ 0 0 2 -4,-2.4 3,-1.1 -5,-0.4 -2,-0.2 0.858 118.8 51.2 -78.8 -38.3 18.3 134.9 -9.5 14 43 A S H 3< S+ 0 0 67 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.797 104.9 56.7 -70.3 -30.3 22.0 135.8 -9.2 15 44 A S T 3< S+ 0 0 68 -4,-2.9 -1,-0.3 -5,-0.1 2,-0.2 0.334 81.3 112.5 -85.0 8.4 21.2 139.4 -8.2 16 45 A L < - 0 0 10 -3,-1.1 2,-0.5 -5,-0.1 216,-0.1 -0.531 57.6-152.0 -75.6 146.9 19.2 138.2 -5.3 17 46 A S + 0 0 82 -2,-0.2 2,-0.3 2,-0.0 -2,-0.1 -0.937 32.4 136.2-129.1 111.7 20.8 139.1 -2.0 18 47 A Y - 0 0 30 -2,-0.5 2,-0.9 215,-0.1 3,-0.1 -0.995 55.0-112.9-152.3 154.5 20.2 136.9 1.0 19 48 A N >> - 0 0 82 -2,-0.3 3,-1.5 1,-0.2 4,-1.5 -0.800 24.3-162.1 -89.0 108.8 21.9 135.3 4.0 20 49 A R T 34 S+ 0 0 110 -2,-0.9 4,-0.5 1,-0.3 325,-0.3 0.817 90.2 51.9 -62.7 -28.0 21.7 131.6 3.3 21 50 A N T 34 S+ 0 0 83 1,-0.2 -1,-0.3 2,-0.1 326,-0.1 0.463 116.7 38.5 -88.3 -0.1 22.4 130.8 6.9 22 51 A E T <4 S+ 0 0 133 -3,-1.5 -2,-0.2 2,-0.1 3,-0.2 0.483 96.6 74.5-125.2 -9.2 19.7 133.1 8.2 23 52 A V S < S+ 0 0 28 -4,-1.5 -3,-0.1 1,-0.2 -2,-0.1 0.840 108.4 30.8 -76.0 -32.8 16.8 132.8 5.8 24 53 A L S S+ 0 0 0 -4,-0.5 2,-0.2 321,-0.3 -1,-0.2 0.250 95.0 116.3-108.9 11.1 15.7 129.3 7.1 25 54 A A - 0 0 47 321,-0.2 2,-0.4 -3,-0.2 323,-0.2 -0.538 40.1-171.3 -86.0 148.9 16.7 129.7 10.7 26 55 A S E -a 348 0A 51 321,-3.3 323,-0.9 -2,-0.2 2,-0.7 -0.987 11.5-153.8-140.5 125.8 14.4 129.6 13.7 27 56 A N E -a 349 0A 82 -2,-0.4 323,-0.2 321,-0.2 3,-0.2 -0.891 19.3-150.8-101.9 112.3 15.3 130.4 17.3 28 57 A G - 0 0 15 321,-1.1 323,-0.3 -2,-0.7 321,-0.0 -0.134 54.1 -30.2 -72.8 176.3 13.0 128.7 19.7 29 58 A D - 0 0 70 321,-0.1 322,-1.3 1,-0.1 2,-0.7 0.097 56.6-164.3 -30.2 120.5 12.1 130.0 23.2 30 59 A K + 0 0 140 -3,-0.2 2,-0.3 320,-0.2 -1,-0.1 -0.981 31.1 166.9-112.9 108.9 15.1 131.9 24.5 31 60 A I - 0 0 112 -2,-0.7 321,-0.1 1,-0.1 319,-0.0 -0.920 33.9-171.1-138.5 165.3 14.2 132.1 28.1 32 61 A E + 0 0 176 -2,-0.3 2,-0.5 1,-0.1 -1,-0.1 0.578 42.6 93.9-134.9 -6.4 15.4 133.0 31.7 33 62 A S + 0 0 110 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.815 41.1 115.4-111.8 126.7 13.6 132.4 35.1 34 63 A F - 0 0 84 -2,-0.5 17,-0.0 17,-0.1 0, 0.0 -0.990 53.8-106.6-165.7 166.3 13.9 129.3 37.5 35 64 A V - 0 0 57 -2,-0.3 16,-0.1 1,-0.1 354,-0.1 -0.833 24.5-142.1 -98.8 134.1 14.9 128.0 41.0 36 65 A P S S+ 0 0 63 0, 0.0 15,-2.9 0, 0.0 2,-0.3 0.942 82.0 14.7 -64.7 -46.7 18.0 125.8 41.1 37 66 A K E -B 50 0A 53 13,-0.2 2,-0.3 350,-0.2 13,-0.2 -0.941 68.0-179.2-129.2 153.2 16.8 123.3 43.7 38 67 A E E -B 49 0A 64 11,-1.7 11,-1.7 -2,-0.3 2,-0.5 -0.998 18.2-149.0-152.4 146.8 13.3 122.5 45.1 39 68 A G E +B 48 0A 31 -2,-0.3 2,-0.4 347,-0.3 9,-0.2 -0.978 22.4 178.0-119.5 125.5 11.7 120.1 47.6 40 69 A K E -B 47 0A 63 7,-2.7 7,-3.9 -2,-0.5 2,-0.4 -0.989 18.6-149.1-134.3 132.0 8.1 119.0 46.9 41 70 A K E +B 46 0A 101 -2,-0.4 2,-0.2 5,-0.2 5,-0.2 -0.783 20.2 170.1 -96.8 140.8 5.8 116.6 48.8 42 71 A A - 0 0 59 3,-1.7 2,-0.4 -2,-0.4 3,-0.4 -0.740 61.5 -47.5-154.0 98.5 3.3 114.6 46.9 43 72 A G S S- 0 0 69 -2,-0.2 -1,-0.0 1,-0.2 -2,-0.0 -0.631 124.5 -16.2 77.0-127.6 1.4 111.8 48.6 44 73 A N S S+ 0 0 113 -2,-0.4 318,-1.8 -3,-0.1 2,-0.3 -0.109 124.4 85.7-101.7 35.1 3.8 109.6 50.6 45 74 A K E - C 0 361A 72 -3,-0.4 -3,-1.7 316,-0.2 2,-0.4 -0.862 60.9-148.1-133.5 166.4 6.8 111.0 48.7 46 75 A F E -BC 41 360A 6 314,-2.2 314,-2.6 -2,-0.3 2,-0.5 -0.975 19.1-160.5-135.4 115.8 9.4 113.9 48.7 47 76 A I E -BC 40 359A 8 -7,-3.9 -7,-2.7 -2,-0.4 2,-0.6 -0.870 3.4-162.7-103.7 128.8 10.7 115.0 45.3 48 77 A V E -BC 39 358A 3 310,-2.4 310,-0.9 -2,-0.5 2,-0.4 -0.933 11.9-168.5-113.4 112.6 13.9 117.0 45.0 49 78 A V E -BC 38 357A 1 -11,-1.7 -11,-1.7 -2,-0.6 2,-0.4 -0.814 5.4-165.5-103.8 139.3 14.3 118.7 41.6 50 79 A E E -BC 37 356A 68 306,-2.0 306,-1.9 -2,-0.4 2,-0.5 -0.979 7.9-154.8-124.6 135.5 17.5 120.3 40.3 51 80 A R E + C 0 355A 36 -15,-2.9 2,-0.3 -2,-0.4 304,-0.2 -0.945 15.4 172.9-122.9 128.7 17.6 122.7 37.4 52 81 A Q E - C 0 354A 95 302,-2.0 302,-2.0 -2,-0.5 2,-0.5 -0.738 31.6-123.1-115.2 164.3 20.4 123.6 35.0 53 82 A K E - C 0 353A 110 -2,-0.3 2,-0.3 300,-0.2 300,-0.2 -0.937 33.1-175.2-110.5 135.6 20.0 125.7 31.9 54 83 A R E - C 0 352A 102 298,-2.8 298,-1.9 -2,-0.5 2,-0.4 -0.888 13.8-147.7-129.0 160.6 21.1 124.1 28.6 55 84 A S E - C 0 351A 85 -2,-0.3 2,-0.4 296,-0.2 296,-0.2 -0.992 7.6-164.6-136.0 130.4 21.4 125.2 25.0 56 85 A L E - C 0 350A 46 294,-2.9 294,-2.1 -2,-0.4 2,-0.4 -0.943 2.9-171.6-119.2 130.5 20.9 123.2 21.8 57 86 A T E + C 0 349A 94 -2,-0.4 2,-0.3 292,-0.2 292,-0.2 -0.968 10.5 175.1-120.7 133.0 22.1 124.2 18.3 58 87 A T E - C 0 348A 34 290,-2.9 290,-2.5 -2,-0.4 108,-0.1 -0.971 23.7-179.5-140.0 155.0 21.1 122.4 15.1 59 88 A S - 0 0 56 -2,-0.3 288,-0.2 288,-0.2 -34,-0.0 -0.411 21.2-177.7-147.0 58.6 21.5 122.7 11.4 60 89 A P - 0 0 25 0, 0.0 286,-2.0 0, 0.0 3,-0.1 -0.300 17.3-174.3 -64.4 148.8 19.7 119.8 9.8 61 90 A V S S+ 0 0 67 284,-0.2 2,-0.7 1,-0.1 274,-0.4 0.515 71.8 78.6-112.1 -20.0 19.9 119.5 6.0 62 91 A D S S- 0 0 49 272,-0.1 2,-0.6 270,-0.1 272,-0.2 -0.841 77.0-153.4 -91.7 115.1 17.5 116.5 6.0 63 92 A I E -D 333 0B 9 270,-3.7 270,-1.8 -2,-0.7 2,-0.1 -0.842 10.3-125.7-103.4 122.9 14.1 118.0 6.4 64 93 A S E -D 332 0B 21 -2,-0.6 2,-0.4 104,-0.2 268,-0.3 -0.359 19.1-139.6 -64.7 133.1 11.2 116.0 7.9 65 94 A I - 0 0 11 266,-2.4 3,-0.3 1,-0.2 105,-0.1 -0.774 10.1-162.9 -97.2 139.7 8.0 115.7 6.0 66 95 A I S S+ 0 0 59 22,-0.4 2,-1.4 -2,-0.4 -1,-0.2 0.968 77.7 38.3 -83.8 -69.0 4.7 115.9 7.8 67 96 A D >> - 0 0 82 1,-0.2 4,-2.3 227,-0.1 3,-1.5 -0.577 68.9-171.7 -90.5 76.1 1.9 114.5 5.6 68 97 A S T 34 S+ 0 0 11 -2,-1.4 2,-0.3 1,-0.3 -1,-0.2 0.764 82.1 36.1 -33.8 -53.1 3.6 111.5 4.0 69 98 A V T 34 S+ 0 0 59 1,-0.2 -1,-0.3 226,-0.2 3,-0.1 -0.334 125.6 37.4-104.2 52.4 0.8 110.7 1.5 70 99 A N T <4 S+ 0 0 89 -3,-1.5 2,-0.8 -2,-0.3 -2,-0.2 0.158 88.6 102.1-167.6 -15.9 -0.4 114.2 0.7 71 100 A D < - 0 0 31 -4,-2.3 2,-0.6 259,-0.1 -1,-0.1 -0.756 57.5-163.1 -82.0 109.9 3.0 115.8 0.7 72 101 A R + 0 0 165 -2,-0.8 2,-0.4 -3,-0.1 -1,-0.1 -0.284 34.3 146.4 -93.3 49.0 3.7 116.1 -3.0 73 102 A T + 0 0 4 -2,-0.6 -2,-0.1 257,-0.1 259,-0.1 -0.702 20.2 171.4 -84.7 134.8 7.4 116.6 -2.5 74 103 A Y > - 0 0 21 -2,-0.4 3,-1.2 167,-0.0 165,-0.2 -0.995 42.6 -91.2-145.3 147.9 9.4 115.1 -5.3 75 104 A P T 3 S+ 0 0 0 0, 0.0 165,-0.2 0, 0.0 130,-0.1 -0.427 114.7 30.7 -60.8 123.3 13.1 115.2 -6.3 76 105 A G T 3 S+ 0 0 0 163,-2.6 2,-0.2 1,-0.3 164,-0.1 0.649 87.9 136.6 102.3 18.9 13.4 118.2 -8.7 77 106 A A < - 0 0 0 -3,-1.2 162,-2.3 162,-0.2 2,-0.4 -0.495 50.5-123.7 -93.0 165.8 10.7 120.4 -7.3 78 107 A L E +E 238 0B 3 15,-0.4 15,-1.9 160,-0.2 2,-0.3 -0.948 33.7 169.3-114.6 131.5 10.9 124.2 -6.7 79 108 A Q E -EF 237 92B 0 158,-1.8 158,-1.8 -2,-0.4 2,-0.3 -0.900 32.0-117.3-136.5 162.9 10.3 125.7 -3.3 80 109 A L E -E 236 0B 6 11,-1.3 2,-0.9 -2,-0.3 11,-0.3 -0.782 25.2-129.2-100.2 147.6 10.7 129.1 -1.6 81 110 A A + 0 0 0 154,-1.7 2,-0.2 -2,-0.3 256,-0.0 -0.856 62.2 101.5-100.2 104.3 13.0 129.3 1.4 82 111 A D S > S- 0 0 31 -2,-0.9 4,-1.7 152,-0.2 3,-0.2 -0.846 87.7 -61.6-158.3-165.7 11.1 131.0 4.2 83 112 A K H > S+ 0 0 152 -2,-0.2 4,-0.9 1,-0.2 6,-0.1 0.720 125.2 60.9 -66.6 -20.8 9.2 130.5 7.5 84 113 A A H >4>S+ 0 0 13 2,-0.2 5,-1.9 1,-0.2 3,-0.7 0.937 104.0 48.2 -70.7 -46.1 6.6 128.3 5.7 85 114 A L H >45S+ 0 0 1 1,-0.3 3,-1.7 3,-0.2 -2,-0.2 0.919 110.9 52.2 -58.0 -43.4 9.3 125.8 4.7 86 115 A V H 3<5S+ 0 0 36 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.726 103.1 58.1 -65.5 -23.1 10.5 125.9 8.3 87 116 A E T <<5S- 0 0 75 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.225 121.1-108.4 -91.1 12.1 7.0 125.1 9.5 88 117 A N T < 5S+ 0 0 38 -3,-1.7 -22,-0.4 1,-0.1 -3,-0.2 0.805 100.3 92.2 64.0 34.5 7.0 121.9 7.4 89 118 A R < - 0 0 148 -5,-1.9 -4,-0.1 -6,-0.1 -3,-0.1 -0.437 62.0-172.1-151.7 64.1 4.6 123.3 4.8 90 119 A P - 0 0 28 0, 0.0 2,-0.6 0, 0.0 -9,-0.1 -0.194 27.3-110.2 -63.9 152.8 6.8 124.8 2.0 91 120 A T - 0 0 59 -11,-0.3 -11,-1.3 138,-0.0 2,-0.2 -0.756 32.7-148.0 -87.6 119.1 5.4 126.9 -0.9 92 121 A I B -F 79 0B 62 -2,-0.6 2,-0.5 -13,-0.2 -13,-0.2 -0.541 2.8-148.3 -86.3 153.5 5.8 125.1 -4.2 93 122 A L - 0 0 6 -15,-1.9 2,-0.4 -2,-0.2 -15,-0.4 -0.982 10.5-165.4-125.6 120.7 6.4 126.8 -7.5 94 123 A M + 0 0 143 -2,-0.5 2,-0.3 -17,-0.1 27,-0.1 -0.905 24.2 136.1-112.6 134.8 5.0 125.5 -10.8 95 124 A V - 0 0 38 -2,-0.4 2,-0.2 125,-0.0 -2,-0.0 -0.939 63.7 -67.8-159.4 167.1 6.1 126.6 -14.2 96 125 A K - 0 0 141 -2,-0.3 121,-2.6 121,-0.1 2,-0.3 -0.499 63.0-158.0 -66.1 132.7 7.0 124.9 -17.5 97 126 A R B -O 216 0C 18 119,-0.2 119,-0.2 -2,-0.2 118,-0.1 -0.886 19.3-125.2-124.8 150.8 10.2 123.0 -17.0 98 127 A K - 0 0 70 117,-3.0 119,-0.1 -2,-0.3 19,-0.1 -0.413 54.8 -78.5 -78.2 158.8 13.2 121.6 -18.9 99 128 A P - 0 0 57 0, 0.0 2,-0.3 0, 0.0 19,-0.2 -0.034 47.2-156.9 -54.9 165.3 13.9 117.8 -18.3 100 129 A I E -G 117 0B 8 17,-1.7 17,-3.2 -3,-0.1 2,-0.5 -0.993 12.0-127.4-145.7 147.3 15.7 116.7 -15.2 101 130 A N E -G 116 0B 61 -2,-0.3 106,-2.6 106,-0.2 2,-0.3 -0.850 23.5-164.8-102.2 132.1 17.8 113.6 -14.3 102 131 A I E -GH 115 206B 0 13,-2.5 13,-1.5 -2,-0.5 2,-0.4 -0.836 3.9-166.3-114.6 150.9 16.9 111.5 -11.3 103 132 A N E -GH 114 205B 26 102,-2.4 102,-2.9 -2,-0.3 2,-0.3 -0.999 7.0-153.1-139.1 133.3 19.0 108.8 -9.5 104 133 A I E - H 0 204B 1 9,-1.6 100,-0.2 -2,-0.4 5,-0.1 -0.822 12.2-142.6-105.0 146.2 17.9 106.3 -6.9 105 134 A D + 0 0 59 98,-2.1 99,-0.1 -2,-0.3 3,-0.1 0.200 48.1 140.1 -94.4 17.3 20.4 104.9 -4.3 106 135 A L > - 0 0 8 97,-0.2 3,-0.7 1,-0.1 96,-0.1 -0.271 59.3-104.2 -57.7 143.2 19.1 101.3 -4.2 107 136 A P T 3 S+ 0 0 75 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.328 96.4 25.0 -70.7 154.6 22.0 98.8 -4.0 108 137 A G T 3 S+ 0 0 30 -3,-0.1 -2,-0.1 1,-0.1 -3,-0.0 0.674 93.0 94.0 70.6 21.2 23.1 96.8 -7.0 109 138 A L X + 0 0 2 -3,-0.7 3,-2.5 -5,-0.1 -5,-0.1 0.146 48.2 151.9-125.4 15.3 21.9 99.1 -9.7 110 139 A K T 3 S+ 0 0 185 1,-0.3 -5,-0.0 2,-0.2 0, 0.0 -0.247 71.9 16.7 -51.9 124.7 25.1 101.0 -10.2 111 140 A G T 3 S+ 0 0 76 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 0.102 126.4 55.6 98.4 -23.6 25.3 102.3 -13.7 112 141 A E S < S+ 0 0 97 -3,-2.5 -2,-0.2 1,-0.1 23,-0.0 -0.237 73.5 97.2-134.7 45.8 21.6 101.8 -14.4 113 142 A N + 0 0 40 22,-0.0 -9,-1.6 23,-0.0 2,-0.3 0.129 66.3 90.1-118.8 16.4 19.9 103.9 -11.7 114 143 A S E +G 103 0B 53 -11,-0.2 2,-0.3 -3,-0.1 -11,-0.2 -0.843 44.1 172.8-117.6 154.1 19.3 107.0 -13.7 115 144 A I E -G 102 0B 43 -13,-1.5 -13,-2.5 -2,-0.3 2,-0.4 -0.966 28.4-125.7-157.9 139.9 16.4 108.3 -15.8 116 145 A K E -G 101 0B 125 -2,-0.3 2,-0.6 -15,-0.2 -15,-0.2 -0.731 17.8-155.8 -89.3 135.6 15.6 111.5 -17.6 117 146 A V E -G 100 0B 7 -17,-3.2 -17,-1.7 -2,-0.4 8,-0.1 -0.929 5.7-169.6-114.7 104.6 12.2 113.1 -16.8 118 147 A D S S+ 0 0 112 -2,-0.6 -1,-0.2 1,-0.3 -21,-0.1 0.953 82.4 34.0 -59.5 -55.2 11.1 115.3 -19.6 119 148 A D S S- 0 0 55 5,-0.1 2,-1.3 -20,-0.1 -1,-0.3 -0.843 82.3-153.1-106.6 99.7 8.2 116.9 -17.9 120 149 A P + 0 0 4 0, 0.0 2,-0.3 0, 0.0 3,-0.1 -0.556 38.4 140.0 -75.9 92.7 9.1 117.2 -14.2 121 150 A T > - 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0 0 40 -2,-0.3 4,-1.0 1,-0.2 3,-0.8 -0.534 32.8-132.0 -69.4 135.9 7.6 119.0 14.1 171 200 A A H 3> S+ 0 0 10 1,-0.2 4,-2.8 -2,-0.2 3,-0.4 0.856 105.3 65.0 -57.8 -34.1 6.5 119.5 17.7 172 201 A K H 3> S+ 0 0 113 1,-0.2 4,-3.6 2,-0.2 5,-0.4 0.882 95.4 57.5 -56.3 -40.5 2.9 119.0 16.5 173 202 A V H <>>S+ 0 0 22 -3,-0.8 4,-2.0 2,-0.2 5,-0.8 0.887 112.5 39.5 -59.4 -40.3 3.7 115.4 15.5 174 203 A L H X>S+ 0 0 0 -4,-1.0 5,-0.7 -3,-0.4 4,-0.6 0.907 119.8 44.9 -77.0 -42.2 4.8 114.6 19.0 175 204 A E H <5S+ 0 0 73 -4,-2.8 -2,-0.2 4,-0.2 -3,-0.2 0.911 125.6 33.0 -66.1 -42.2 2.0 116.6 20.7 176 205 A N H <5S+ 0 0 124 -4,-3.6 -3,-0.2 -5,-0.3 -2,-0.2 0.911 128.0 31.0 -82.7 -48.1 -0.6 115.2 18.4 177 206 A S H <5S+ 0 0 35 -4,-2.0 -3,-0.2 -5,-0.4 -2,-0.1 0.901 134.7 25.4 -81.6 -44.4 0.4 111.7 17.5 178 207 A L T <> + 0 0 64 -2,-0.6 4,-2.1 1,-0.2 3,-0.6 -0.587 23.3 178.4 -80.7 84.3 1.9 116.4 28.1 182 211 A F H 3> S+ 0 0 30 -2,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.696 77.3 54.4 -63.2 -20.0 4.4 119.3 28.0 183 212 A N H 3> S+ 0 0 112 2,-0.2 4,-2.2 3,-0.1 -1,-0.2 0.826 107.1 49.4 -83.1 -31.5 3.0 120.9 31.1 184 213 A A H <4>S+ 0 0 1 -3,-0.6 5,-3.9 2,-0.2 6,-0.9 0.909 112.4 48.7 -70.1 -41.5 3.3 117.7 33.2 185 214 A V H ><5S+ 0 0 14 -4,-2.1 3,-2.0 3,-0.2 -2,-0.2 0.951 110.3 52.5 -60.2 -50.1 7.0 117.4 32.0 186 215 A A H 3<5S+ 0 0 55 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.897 113.2 41.6 -53.2 -47.7 7.5 121.1 32.9 187 216 A N T 3<5S- 0 0 70 -4,-2.2 -1,-0.3 -5,-0.0 -2,-0.2 0.280 114.6-120.1 -85.6 14.4 6.2 120.6 36.4 188 217 A N T < 5S+ 0 0 11 -3,-2.0 -3,-0.2 2,-0.2 -2,-0.1 0.908 76.3 130.1 45.8 49.6 8.1 117.3 36.5 189 218 A E S > S- 0 0 74 1,-0.1 3,-1.6 130,-0.0 4,-0.6 -0.964 76.6-129.7-150.7 132.5 22.3 127.4 -14.3 212 241 A P H >> S+ 0 0 16 0, 0.0 3,-1.3 0, 0.0 4,-1.0 0.836 109.7 61.6 -46.9 -36.9 18.9 128.3 -12.8 213 242 A S H 34 S+ 0 0 29 1,-0.3 -115,-0.1 2,-0.2 3,-0.1 0.828 88.4 67.6 -60.4 -37.8 17.7 128.8 -16.4 214 243 A D H <4 S+ 0 0 95 -3,-1.6 -1,-0.3 1,-0.2 -116,-0.1 0.725 101.3 50.6 -58.1 -21.8 18.4 125.1 -17.4 215 244 A L H << S+ 0 0 3 -3,-1.3 -117,-3.0 -4,-0.6 -1,-0.2 0.898 102.9 70.9 -81.1 -43.9 15.6 124.1 -15.0 216 245 A F B < S-O 97 0C 5 -4,-1.0 -119,-0.2 -119,-0.2 2,-0.1 -0.504 86.1-117.6 -82.5 139.6 13.1 126.6 -16.5 217 246 A D > - 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0 0 0 0, 0.0 -154,-1.7 0, 0.0 -3,-0.1 -0.214 31.1-103.4 -57.2 142.6 15.0 132.7 -2.2 236 265 A P E -E 80 0B 3 0, 0.0 102,-2.4 0, 0.0 103,-0.5 -0.343 42.8-178.3 -70.7 148.7 14.3 130.0 -4.9 237 266 A L E -EK 79 337B 0 -158,-1.8 -158,-1.8 100,-0.3 2,-0.4 -0.964 20.3-145.0-144.0 159.9 15.2 126.3 -4.2 238 267 A M E -EK 78 336B 0 98,-2.4 98,-2.7 -2,-0.3 2,-0.7 -0.978 26.7-119.9-126.8 139.5 15.2 122.9 -5.8 239 268 A V E + K 0 335B 0 -162,-2.3 -163,-2.6 -2,-0.4 96,-0.3 -0.707 35.0 173.1 -77.9 116.6 14.5 119.7 -4.0 240 269 A S E + 0 0 13 94,-1.8 -34,-1.5 -2,-0.7 2,-0.3 0.646 61.3 29.1 -99.6 -16.2 17.7 117.6 -4.5 241 270 A N E -JK 205 334B 54 93,-1.7 93,-2.1 -36,-0.2 2,-0.4 -0.997 54.7-176.5-149.3 136.8 17.0 114.6 -2.3 242 271 A V E -JK 204 333B 0 -38,-1.5 -38,-2.1 -2,-0.3 2,-0.4 -0.995 13.3-153.1-137.2 127.2 13.9 112.8 -1.1 243 272 A A E -JK 203 332B 3 89,-2.5 88,-3.7 -2,-0.4 89,-1.3 -0.824 14.3-156.2 -98.2 138.3 14.0 109.9 1.4 244 273 A Y E +JK 202 330B 11 -42,-2.4 -43,-3.4 -2,-0.4 -42,-0.8 -0.911 44.7 63.3-117.7 143.5 11.1 107.3 1.2 245 274 A G E S-J 200 0B 0 84,-2.1 51,-2.0 -2,-0.4 84,-0.5 -0.938 72.1 -78.3 155.7-129.7 9.8 105.0 3.9 246 275 A R E -JL 199 295B 19 -47,-1.8 -47,-2.9 -2,-0.3 2,-0.4 -0.967 26.7-128.2-165.2 167.7 8.1 105.4 7.3 247 276 A T E -JL 198 294B 9 47,-2.4 47,-2.8 -2,-0.3 2,-0.6 -0.981 5.2-150.8-131.9 141.2 8.9 106.3 10.9 248 277 A I E -JL 197 293B 0 -51,-1.8 -51,-3.0 -2,-0.4 2,-0.4 -0.952 16.3-166.4-110.5 121.5 8.1 104.6 14.2 249 278 A Y E -JL 196 292B 15 43,-2.4 43,-2.1 -2,-0.6 2,-0.4 -0.889 4.1-170.0-109.2 139.3 7.8 106.9 17.2 250 279 A V E -JL 195 291B 0 -55,-2.2 -55,-2.5 -2,-0.4 2,-0.4 -0.992 7.8-161.9-131.7 137.4 7.7 105.6 20.8 251 280 A K E -JL 194 290B 13 39,-2.6 39,-2.3 -2,-0.4 2,-0.5 -0.980 0.7-167.4-121.3 130.2 6.9 107.3 24.0 252 281 A L E +JL 193 289B 0 -59,-2.6 -59,-2.5 -2,-0.4 2,-0.4 -0.974 20.6 179.2-113.6 128.8 7.9 105.9 27.4 253 282 A E E +JL 192 288B 24 35,-2.0 35,-2.1 -2,-0.5 2,-0.3 -0.994 9.5 170.2-140.4 137.7 6.2 107.8 30.2 254 283 A T E -JL 191 287B 2 -63,-1.6 -63,-2.3 -2,-0.4 33,-0.2 -0.969 36.7-143.5-146.0 160.4 6.1 107.6 34.0 255 284 A T S S+ 0 0 72 31,-1.4 2,-0.1 -2,-0.3 32,-0.1 0.411 71.6 113.3 -98.1 -2.6 4.9 109.4 37.2 256 285 A S - 0 0 8 30,-0.3 -65,-0.2 27,-0.2 -2,-0.1 -0.462 50.7-166.2 -70.6 141.3 8.0 108.3 39.0 257 286 A S + 0 0 7 -2,-0.1 -209,-0.2 -67,-0.1 -1,-0.1 0.031 42.7 141.3-112.7 20.5 10.3 111.1 39.9 258 287 A S > - 0 0 5 100,-0.2 3,-1.6 1,-0.1 99,-0.2 -0.316 63.2-126.1 -66.8 145.5 13.1 108.6 40.6 259 288 A K T 3 S+ 0 0 141 1,-0.3 4,-0.2 100,-0.1 3,-0.2 0.638 107.7 60.3 -65.8 -12.2 16.6 109.3 39.7 260 289 A D T 3> + 0 0 26 1,-0.1 4,-2.9 2,-0.1 -1,-0.3 0.271 67.6 104.1-101.9 11.4 16.6 106.0 37.8 261 290 A V H <> S+ 0 0 0 -3,-1.6 4,-3.5 1,-0.2 5,-0.2 0.958 83.7 46.6 -58.1 -52.2 13.8 106.5 35.3 262 291 A Q H > S+ 0 0 84 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.876 116.7 43.8 -58.3 -40.6 16.2 107.0 32.3 263 292 A A H > S+ 0 0 39 -4,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.890 114.5 50.3 -70.5 -40.8 18.3 104.0 33.2 264 293 A A H X S+ 0 0 0 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.950 114.5 44.5 -61.2 -48.7 15.2 101.9 33.9 265 294 A F H >X S+ 0 0 0 -4,-3.5 3,-1.6 -5,-0.3 4,-1.5 0.994 113.6 49.6 -57.1 -67.1 13.8 103.0 30.5 266 295 A K H 3X S+ 0 0 65 -4,-3.1 4,-1.9 1,-0.3 5,-0.2 0.808 109.0 53.7 -38.0 -46.3 17.1 102.4 28.8 267 296 A A H 3X>S+ 0 0 6 -4,-3.1 5,-1.9 1,-0.2 4,-1.5 0.892 107.1 51.7 -59.4 -40.6 17.3 98.9 30.3 268 297 A L H <<5S+ 0 0 10 -4,-1.9 -1,-0.2 -3,-1.6 -2,-0.2 0.865 109.3 47.5 -66.2 -39.6 13.8 98.0 29.0 269 298 A I H <5S+ 0 0 30 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.910 118.0 42.1 -68.2 -42.5 14.5 99.0 25.4 270 299 A K H <5S- 0 0 133 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.706 104.4-134.9 -74.9 -23.1 17.8 97.1 25.4 271 300 A N T <5 + 0 0 85 -4,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.831 42.0 169.3 69.8 33.4 16.2 94.2 27.3 272 301 A T > < - 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