==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-APR-04 1V0Y . COMPND 2 MOLECULE: PHOSPHOLIPASE D; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES SP.; . AUTHOR I.LEIROS,S.MCSWEENEY,E.HOUGH . 493 3 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17798.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 341 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 26 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 133 27.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.6 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 2 0 0 1 0 1 2 2 1 0 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 0 0 2 0 1 1 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 0 4 5 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 1 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 6 A S 0 0 114 0, 0.0 6,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 149.3 10.3 21.8 44.5 2 7 A A + 0 0 95 1,-0.2 0, 0.0 2,-0.1 0, 0.0 0.653 360.0 41.9 -72.7 -17.1 9.0 25.2 43.3 3 8 A T > + 0 0 18 1,-0.1 4,-2.3 2,-0.1 -1,-0.2 -0.469 61.8 153.8-129.6 59.5 10.2 24.1 39.8 4 9 A P H > S+ 0 0 72 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.842 77.1 50.2 -62.8 -29.4 9.3 20.5 39.1 5 10 A H H > S+ 0 0 13 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.951 113.9 41.9 -75.6 -50.1 9.2 21.0 35.3 6 11 A L H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.868 110.9 59.1 -62.8 -33.0 12.6 22.7 34.9 7 12 A D H X S+ 0 0 52 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.940 108.7 44.2 -61.6 -42.7 14.1 20.3 37.4 8 13 A A H X S+ 0 0 39 -4,-1.5 4,-2.1 -5,-0.2 -1,-0.2 0.915 114.4 47.7 -66.7 -47.3 13.2 17.4 35.1 9 14 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.925 111.3 51.7 -58.0 -46.7 14.4 19.1 31.9 10 15 A E H X S+ 0 0 38 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.925 107.1 52.9 -57.8 -43.0 17.7 20.1 33.6 11 16 A Q H X S+ 0 0 147 -4,-2.1 4,-1.1 -5,-0.3 -1,-0.2 0.939 110.4 48.3 -63.9 -38.7 18.3 16.5 34.7 12 17 A T H >X S+ 0 0 48 -4,-2.1 4,-2.7 1,-0.2 3,-0.5 0.924 110.4 50.7 -62.9 -47.1 17.8 15.4 31.1 13 18 A L H 3X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.875 105.7 55.2 -65.3 -30.4 20.1 18.0 29.6 14 19 A R H 3< S+ 0 0 97 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.794 112.8 43.6 -76.6 -23.0 22.9 17.1 32.1 15 20 A Q H << S+ 0 0 96 -4,-1.1 261,-0.4 -3,-0.5 262,-0.4 0.858 121.3 39.6 -80.1 -37.8 22.7 13.5 30.8 16 21 A V H < S+ 0 0 1 -4,-2.7 261,-0.3 1,-0.2 -2,-0.2 0.943 134.7 7.7 -75.6 -51.4 22.4 14.4 27.2 17 22 A S >< + 0 0 0 -4,-2.9 3,-1.4 -5,-0.2 4,-0.3 -0.431 65.1 151.6-134.1 57.0 24.8 17.4 26.8 18 23 A P G > S+ 0 0 40 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.892 77.4 56.8 -60.5 -35.8 27.0 18.0 29.9 19 24 A G G 3 S+ 0 0 21 1,-0.2 4,-0.1 286,-0.1 -5,-0.1 0.661 105.0 52.9 -72.7 -9.7 29.9 19.4 27.9 20 25 A L G X>>S+ 0 0 5 -3,-1.4 4,-2.6 285,-0.1 5,-1.5 0.392 76.9 124.0-100.3 0.9 27.6 22.1 26.4 21 26 A E B <45S+a 25 0A 73 -3,-1.4 5,-0.2 -4,-0.3 -7,-0.0 -0.494 79.2 21.1 -69.8 129.1 26.2 23.4 29.8 22 27 A G T 345S+ 0 0 15 3,-3.4 -1,-0.3 -2,-0.2 186,-0.1 -0.264 130.1 46.3 104.1 -36.0 26.9 27.1 29.9 23 28 A D T <45S+ 0 0 73 -3,-1.1 189,-0.2 2,-0.1 -2,-0.2 0.872 126.3 14.6-103.0 -53.3 27.2 27.5 26.1 24 29 A V T <5S+ 0 0 4 -4,-2.6 238,-1.8 1,-0.3 2,-0.3 0.653 137.1 17.9-101.9 -24.8 24.4 25.7 24.3 25 30 A W E < +aB 21 261A 1 -5,-1.5 -3,-3.4 236,-0.2 -1,-0.3 -0.983 67.4 167.2-137.0 156.3 22.1 25.2 27.3 26 31 A E E - B 0 260A 38 234,-2.3 234,-2.9 -2,-0.3 2,-0.5 -0.866 26.1-141.9-167.1 128.7 22.1 26.9 30.8 27 32 A R E + B 0 259A 61 -2,-0.3 2,-0.3 232,-0.2 232,-0.2 -0.860 31.8 173.9 -90.7 128.9 19.7 27.0 33.7 28 33 A T E - B 0 258A 19 230,-2.8 230,-2.6 -2,-0.5 2,-0.2 -0.927 19.8-153.8-129.5 164.1 19.6 30.5 35.5 29 34 A S E + 0 0 90 -2,-0.3 227,-0.1 228,-0.2 173,-0.1 -0.717 67.6 55.4-120.6 170.5 17.7 32.2 38.2 30 35 A G E S+ 0 0 13 -2,-0.2 223,-2.8 1,-0.2 224,-1.5 0.677 71.8 138.0 83.1 16.7 16.9 35.9 38.7 31 36 A N E - B 0 256A 1 225,-1.9 225,-2.6 222,-0.2 2,-0.3 -0.365 37.2-149.5 -86.1 171.0 15.3 36.7 35.3 32 37 A K E -L 199 0B 88 167,-2.2 167,-2.1 222,-0.2 2,-0.5 -0.993 20.4-124.1-140.4 134.4 12.2 38.9 34.5 33 38 A L E -L 198 0B 18 -2,-0.3 2,-1.7 165,-0.2 165,-0.3 -0.727 37.6-131.6 -70.9 125.8 9.6 38.7 31.8 34 39 A D + 0 0 29 163,-2.2 2,-0.1 -2,-0.5 164,-0.1 -0.466 47.6 148.7 -94.2 67.4 10.0 42.2 30.4 35 40 A G - 0 0 15 -2,-1.7 2,-0.1 5,-0.2 6,-0.1 -0.331 46.8-100.0 -90.5 175.3 6.4 43.6 30.2 36 41 A S - 0 0 40 3,-1.2 6,-0.2 -2,-0.1 -1,-0.1 -0.439 26.6-114.7 -90.7 162.6 5.3 47.2 30.6 37 42 A A S S+ 0 0 111 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 0.890 116.4 47.8 -61.5 -39.5 3.7 48.8 33.7 38 43 A A S S+ 0 0 99 1,-0.3 -1,-0.2 2,-0.1 -3,-0.0 0.811 129.0 19.0 -70.8 -32.0 0.4 49.3 31.9 39 44 A D > - 0 0 75 1,-0.1 3,-2.2 0, 0.0 -3,-1.2 -0.744 67.0-174.9-146.3 83.4 0.1 45.8 30.4 40 45 A P T 3 S+ 0 0 74 0, 0.0 3,-0.5 0, 0.0 -5,-0.2 0.617 82.2 63.0 -65.1 -16.3 2.4 43.3 32.2 41 46 A S T > S+ 0 0 11 1,-0.2 3,-2.2 2,-0.1 -7,-0.1 0.479 74.3 95.7 -79.8 -7.4 1.6 40.5 29.8 42 47 A D T < + 0 0 23 -3,-2.2 -1,-0.2 1,-0.3 -8,-0.1 0.332 57.5 85.0 -82.2 13.9 3.2 42.5 26.9 43 48 A W T 3 S+ 0 0 1 -3,-0.5 154,-1.8 1,-0.1 2,-1.2 0.665 74.1 86.7 -65.2 -22.7 6.6 40.6 27.3 44 49 A L E < S-M 196 0B 8 -3,-2.2 2,-2.0 152,-0.2 152,-0.2 -0.718 73.1-164.4 -85.0 94.9 4.6 38.2 25.1 45 50 A L E +M 195 0B 1 150,-1.5 150,-1.7 -2,-1.2 2,-0.1 -0.487 20.6 166.8 -90.3 69.0 5.5 39.7 21.7 46 51 A Q E -M 194 0B 20 -2,-2.0 19,-0.3 148,-0.3 148,-0.2 -0.446 27.6-115.3 -74.3 154.3 2.8 38.0 19.6 47 52 A T E S+M 193 0B 3 146,-2.3 146,-2.4 -2,-0.1 3,-0.0 -0.990 82.1 1.0-144.4 143.1 2.1 39.2 16.1 48 53 A P S S- 0 0 4 0, 0.0 13,-1.6 0, 0.0 14,-1.6 -0.993 72.4-166.1 -76.6 -17.8 -0.1 40.5 14.6 49 54 A G + 0 0 7 12,-0.3 11,-1.1 11,-0.2 12,-0.6 0.997 39.5 134.1 64.8 57.5 -2.2 40.5 17.8 50 55 A a > - 0 0 9 9,-0.2 3,-1.6 10,-0.1 6,-0.3 -0.377 33.2-177.5-131.7 56.6 -5.6 41.2 16.0 51 56 A W T 3 + 0 0 70 1,-0.2 364,-0.2 5,-0.1 3,-0.1 -0.275 64.3 12.6 -61.3 135.6 -7.8 38.7 17.6 52 57 A G T 3 S+ 0 0 32 362,-2.6 2,-0.6 1,-0.1 -1,-0.2 0.322 102.2 101.0 90.0 -6.9 -11.5 38.6 16.3 53 58 A D X - 0 0 50 -3,-1.6 3,-1.3 361,-0.3 -1,-0.1 -0.913 50.0-167.7-123.9 105.9 -10.9 40.7 13.2 54 59 A D T 3 S+ 0 0 48 -2,-0.6 367,-2.3 1,-0.2 368,-0.4 0.573 94.2 55.2 -67.7 -6.9 -10.5 39.0 9.8 55 60 A K T 3 S- 0 0 142 365,-0.2 -1,-0.2 366,-0.1 365,-0.0 0.551 97.7-141.0 -94.4 -11.2 -9.3 42.4 8.4 56 61 A a < + 0 0 2 -3,-1.3 3,-0.2 -6,-0.3 -2,-0.1 0.903 41.7 158.4 50.8 51.4 -6.5 42.7 11.1 57 62 A A + 0 0 81 1,-0.2 2,-0.8 -7,-0.1 -1,-0.1 0.887 60.5 43.0 -72.5 -45.9 -7.1 46.4 11.4 58 63 A D - 0 0 96 1,-0.0 2,-1.8 -8,-0.0 -1,-0.2 -0.811 68.4-172.6-109.9 92.3 -5.6 47.1 14.9 59 64 A R > + 0 0 44 -2,-0.8 4,-2.4 -3,-0.2 -9,-0.2 -0.497 16.9 162.4 -86.9 71.1 -2.3 45.2 15.0 60 65 A V H > S+ 0 0 87 -2,-1.8 4,-1.8 -11,-1.1 -11,-0.2 0.802 73.8 53.0 -63.4 -27.1 -1.5 45.8 18.7 61 66 A G H > S+ 0 0 8 -13,-1.6 4,-2.6 -12,-0.6 -12,-0.3 0.936 108.7 46.2 -74.6 -49.2 1.0 42.9 18.6 62 67 A T H > S+ 0 0 12 -14,-1.6 4,-2.3 2,-0.2 5,-0.3 0.918 112.1 52.7 -56.8 -45.9 3.0 44.1 15.7 63 68 A K H X S+ 0 0 136 -4,-2.4 4,-2.3 -15,-0.3 -2,-0.2 0.948 111.9 45.0 -56.2 -50.6 3.1 47.6 17.1 64 69 A R H X S+ 0 0 44 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.884 111.1 54.1 -63.0 -42.1 4.4 46.4 20.4 65 70 A L H X S+ 0 0 1 -4,-2.6 4,-2.0 -19,-0.3 -1,-0.2 0.953 112.7 41.5 -57.7 -47.3 7.0 44.1 18.7 66 71 A L H X S+ 0 0 32 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.897 115.3 50.8 -71.4 -36.2 8.5 46.8 16.6 67 72 A A H X S+ 0 0 58 -4,-2.3 4,-2.6 -5,-0.3 -1,-0.2 0.901 110.1 50.1 -65.0 -42.2 8.5 49.3 19.5 68 73 A K H X S+ 0 0 5 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.856 106.9 54.5 -69.4 -37.5 10.2 46.8 21.9 69 74 A M H X S+ 0 0 16 -4,-2.0 4,-2.1 -5,-0.2 5,-0.2 0.940 112.9 42.7 -56.3 -49.8 13.0 46.1 19.3 70 75 A T H X S+ 0 0 30 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.893 112.9 53.4 -65.7 -40.7 13.7 49.8 19.1 71 76 A E H X S+ 0 0 86 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.907 111.9 44.1 -56.2 -49.3 13.4 50.3 22.9 72 77 A N H < S+ 0 0 5 -4,-2.4 3,-0.5 2,-0.2 -1,-0.2 0.900 116.4 44.9 -68.0 -41.8 15.9 47.5 23.7 73 78 A I H >< S+ 0 0 0 -4,-2.1 3,-2.1 1,-0.2 -2,-0.2 0.892 108.8 57.6 -68.1 -38.6 18.4 48.5 21.1 74 79 A G H 3< S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.681 102.2 56.5 -67.3 -17.0 18.1 52.1 22.0 75 80 A N T 3< S+ 0 0 85 -4,-0.8 -1,-0.3 -3,-0.5 2,-0.2 0.275 81.9 125.8 -92.2 4.6 19.1 51.2 25.6 76 81 A A < + 0 0 0 -3,-2.1 33,-0.2 24,-0.2 4,-0.1 -0.480 27.6 167.6 -66.2 136.4 22.4 49.6 24.4 77 82 A T S S+ 0 0 64 -2,-0.2 33,-0.5 2,-0.2 -1,-0.1 0.522 79.5 2.7-113.7 -15.9 25.6 50.8 25.9 78 83 A R S S+ 0 0 80 1,-0.3 34,-2.3 31,-0.1 2,-0.3 0.669 116.4 18.4-136.2 -50.2 28.0 48.0 24.7 79 84 A T E -n 112 0B 1 32,-0.2 89,-2.2 2,-0.0 2,-0.4 -0.995 35.8-167.9-138.9 150.3 26.7 45.3 22.3 80 85 A V E -nO 113 167B 1 32,-2.0 34,-2.1 -2,-0.3 2,-0.4 -0.999 17.0-173.3-133.6 123.3 23.8 44.4 20.0 81 86 A D E +nO 114 166B 2 85,-2.4 85,-2.9 -2,-0.4 2,-0.4 -0.978 7.6 176.3-128.2 112.0 23.8 40.7 19.0 82 87 A I E +nO 115 165B 11 32,-2.6 34,-2.5 -2,-0.4 2,-0.3 -0.969 8.4 174.2-126.5 130.7 21.2 39.5 16.3 83 88 A S E +nO 116 164B 2 81,-2.3 81,-1.5 -2,-0.4 2,-0.3 -0.973 15.2 140.9-126.0 153.5 20.6 36.2 14.6 84 89 A T E -n 117 0B 3 32,-1.9 34,-1.5 -2,-0.3 2,-0.4 -0.951 51.1 -82.1-167.7-177.5 17.9 35.3 12.2 85 90 A L E -n 118 0B 27 -2,-0.3 94,-0.3 32,-0.2 34,-0.1 -0.840 69.7 -68.5-101.2 134.3 17.1 33.2 9.0 86 91 A A S S+ 0 0 16 32,-2.6 2,-0.2 -2,-0.4 34,-0.1 -0.275 100.4 75.5 -62.8 151.4 17.8 35.0 5.7 87 92 A P S S- 0 0 73 0, 0.0 92,-0.3 0, 0.0 3,-0.1 0.399 89.3-116.5 -66.0 157.2 16.8 37.3 4.2 88 93 A F - 0 0 14 -2,-0.2 6,-0.1 1,-0.2 29,-0.0 -0.112 51.9 -67.9 -52.1 153.6 18.4 40.0 6.4 89 94 A P + 0 0 5 0, 0.0 2,-0.2 0, 0.0 91,-0.2 -0.191 65.9 171.5 -53.3 138.3 15.9 42.2 8.2 90 95 A N >> + 0 0 48 89,-1.4 3,-1.5 -3,-0.1 4,-0.9 -0.817 36.8 18.6-137.3 178.5 13.9 44.5 6.0 91 96 A G H 3> S- 0 0 26 -2,-0.2 4,-2.2 1,-0.2 3,-0.3 -0.236 127.2 -15.4 59.4-146.2 11.0 47.0 6.1 92 97 A A H 3> S+ 0 0 38 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.651 134.7 65.4 -69.9 -16.5 10.0 48.3 9.5 93 98 A F H <> S+ 0 0 1 -3,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.962 107.9 40.2 -65.6 -51.0 12.1 45.5 11.1 94 99 A Q H X S+ 0 0 4 -4,-0.9 4,-2.8 -3,-0.3 -2,-0.2 0.916 113.6 55.6 -62.0 -42.5 15.2 47.1 9.7 95 100 A D H X S+ 0 0 90 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.883 106.1 51.1 -53.9 -43.1 13.7 50.6 10.5 96 101 A A H X S+ 0 0 6 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.885 111.4 47.8 -64.3 -41.6 13.4 49.5 14.2 97 102 A I H X S+ 0 0 3 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.941 113.5 46.4 -64.5 -44.2 17.0 48.4 14.3 98 103 A V H X S+ 0 0 17 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.917 111.2 51.8 -65.8 -45.6 18.3 51.5 12.7 99 104 A A H X S+ 0 0 46 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.905 111.7 48.2 -58.5 -41.6 16.2 53.8 15.0 100 105 A G H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.915 110.2 49.3 -67.4 -41.4 17.6 51.9 18.0 101 106 A L H X S+ 0 0 2 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.907 112.6 48.7 -64.8 -40.9 21.2 52.1 17.0 102 107 A K H X S+ 0 0 94 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.923 110.4 52.0 -63.5 -43.6 20.8 55.9 16.3 103 108 A E H X S+ 0 0 77 -4,-2.6 4,-0.9 1,-0.2 -2,-0.2 0.917 112.9 44.0 -58.3 -47.6 19.2 56.3 19.7 104 109 A S H ><>S+ 0 0 0 -4,-2.4 5,-1.6 1,-0.2 3,-0.7 0.915 111.6 53.0 -65.6 -39.1 22.0 54.6 21.4 105 110 A A H ><5S+ 0 0 12 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.880 105.4 55.3 -65.7 -32.2 24.7 56.4 19.4 106 111 A A H 3<5S+ 0 0 90 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.720 98.3 61.8 -75.2 -20.2 23.1 59.8 20.4 107 112 A K T <<5S- 0 0 117 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.362 126.9-102.9 -81.9 3.2 23.4 58.9 24.1 108 113 A G T < 5S+ 0 0 55 -3,-1.6 -3,-0.2 1,-0.2 2,-0.2 0.517 71.1 149.2 90.2 12.5 27.2 58.8 23.4 109 114 A N < - 0 0 33 -5,-1.6 2,-0.6 -33,-0.2 -1,-0.2 -0.471 39.5-148.0 -85.7 142.9 27.6 55.0 23.3 110 115 A K - 0 0 171 -33,-0.5 2,-0.3 -2,-0.2 33,-0.2 -0.964 29.0-163.2-105.6 120.0 30.2 53.1 21.2 111 116 A L E - p 0 143B 4 31,-2.3 33,-2.9 -2,-0.6 2,-0.4 -0.790 25.8-149.9-115.4 145.2 28.8 49.7 20.2 112 117 A K E -np 79 144B 72 -34,-2.3 -32,-2.0 -2,-0.3 2,-0.4 -0.933 27.5-169.8 -99.0 138.6 29.9 46.4 18.8 113 118 A V E -np 80 145B 0 31,-2.6 33,-2.0 -2,-0.4 2,-0.4 -0.995 12.8-173.6-139.3 124.4 27.2 44.8 16.6 114 119 A R E -np 81 146B 0 -34,-2.1 -32,-2.6 -2,-0.4 2,-0.4 -0.984 1.1-177.0-116.2 137.2 26.9 41.3 15.2 115 120 A I E -np 82 147B 0 31,-2.1 33,-2.0 -2,-0.4 2,-0.4 -0.955 10.2-178.4-136.0 108.6 24.1 40.3 12.7 116 121 A L E -np 83 148B 0 -34,-2.5 -32,-1.9 -2,-0.4 2,-0.4 -0.941 3.6-176.1-112.3 132.2 24.2 36.6 11.7 117 122 A V E -np 84 149B 0 31,-2.5 33,-1.6 -2,-0.4 2,-0.4 -0.954 19.6-136.9-125.0 145.6 21.9 34.9 9.2 118 123 A G E +np 85 150B 0 -34,-1.5 -32,-2.6 42,-0.6 2,-0.3 -0.799 32.5 176.0 -89.4 145.4 21.6 31.3 8.2 119 124 A A - 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0 0 8 17,-0.2 2,-0.2 -14,-0.1 -2,-0.1 -0.489 44.4-162.3 -75.5 108.1 9.6 35.7 14.1 178 187 A N - 0 0 1 -2,-0.6 2,-1.6 -94,-0.1 -92,-0.1 -0.607 31.2-116.3 -77.9 151.0 11.8 36.2 11.0 179 188 A S + 0 0 16 -94,-0.3 -89,-1.4 -92,-0.3 2,-0.6 -0.442 65.8 140.5 -91.6 57.8 12.3 39.8 10.1 180 189 A W > - 0 0 47 -2,-1.6 4,-1.9 -91,-0.2 5,-0.4 -0.913 38.2-164.1-114.0 104.7 10.5 39.5 6.8 181 190 A K H >>S+ 0 0 65 -2,-0.6 4,-2.1 1,-0.2 5,-1.6 0.852 85.8 53.9 -60.9 -37.3 8.3 42.5 6.0 182 191 A D H 45S+ 0 0 91 1,-0.2 -1,-0.2 3,-0.2 -2,-0.0 0.845 114.8 38.5 -69.7 -36.2 6.2 40.8 3.3 183 192 A D H 45S+ 0 0 58 -3,-0.3 8,-2.0 1,-0.1 -1,-0.2 0.827 131.3 23.1 -81.8 -35.6 5.1 37.8 5.4 184 193 A Y H <5S+ 0 0 0 -4,-1.9 -3,-0.2 6,-0.2 -2,-0.2 0.762 129.7 18.1-103.7 -29.9 4.5 39.6 8.7 185 194 A L T <5S+ 0 0 26 -4,-2.1 2,-2.0 -5,-0.4 -3,-0.2 0.830 110.9 48.6-115.5 -71.2 3.9 43.4 8.1 186 195 A D S > S- 0 0 1 -30,-2.0 3,-1.9 -2,-0.3 4,-0.7 -0.681 101.0 -27.0 114.4-171.8 18.5 38.8 33.3 201 210 A P H >> S+ 0 0 18 0, 0.0 4,-1.5 0, 0.0 3,-0.9 0.811 124.2 67.1 -49.9 -32.5 21.1 36.1 33.4 202 211 A A H 3> S+ 0 0 0 1,-0.3 4,-1.3 -3,-0.2 5,-0.1 0.769 94.0 58.9 -65.5 -24.8 19.2 34.1 30.7 203 212 A A H <> S+ 0 0 0 -3,-1.9 4,-1.9 -33,-0.2 -1,-0.3 0.895 102.3 53.8 -65.3 -35.8 20.0 36.9 28.2 204 213 A G H < S+ 0 0 15 -4,-3.0 3,-1.1 1,-0.2 -1,-0.2 0.865 109.8 55.0 -59.2 -38.6 34.8 33.3 12.2 219 228 A Q H 3< S+ 0 0 144 -4,-1.6 3,-0.2 -5,-0.2 -1,-0.2 0.773 115.8 39.2 -63.4 -29.9 36.9 30.0 11.9 220 229 A N T >< S+ 0 0 45 -4,-1.5 3,-1.5 -3,-0.4 7,-0.3 0.161 80.6 113.0-106.2 14.9 35.3 29.3 8.6 221 230 A K T < S+ 0 0 103 -3,-1.1 8,-0.3 1,-0.3 -1,-0.1 0.650 77.5 51.3 -67.3 -18.7 35.2 32.9 7.2 222 231 A S T 3 S+ 0 0 114 -3,-0.2 2,-0.8 -4,-0.2 -1,-0.3 0.496 88.2 93.5 -92.4 -9.9 37.8 32.1 4.5 223 232 A N X> - 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