==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-DEC-07 2ZE9 . COMPND 2 MOLECULE: PHOSPHOLIPASE D; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES ANTIBIOTICUS; . AUTHOR A.SUZUKI,H.TODA,Y.IWASAKI,T.YAMANE,T.YAMANE . 504 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18690.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 344 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 12.7 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 . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 27 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 135 26.8 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 0 2 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 1 1 2 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 . 2 1 0 4 6 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 1 1 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 1 A A 0 0 142 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 34.6 22.6 -24.0 54.4 2 2 A D + 0 0 168 2,-0.1 0, 0.0 0, 0.0 0, 0.0 0.386 360.0 128.5 -97.3 -7.8 22.6 -21.8 57.4 3 3 A T - 0 0 112 1,-0.1 260,-0.0 0, 0.0 0, 0.0 -0.126 61.5-117.0 -64.1 140.2 20.2 -19.5 55.5 4 4 A P - 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.433 40.3 -95.7 -70.0 145.9 16.8 -18.3 57.1 5 5 A P - 0 0 112 0, 0.0 3,-0.1 0, 0.0 4,-0.1 -0.121 21.6-144.8 -64.7 159.1 13.6 -19.3 55.3 6 6 A T > + 0 0 14 1,-0.1 4,-3.0 2,-0.1 5,-0.2 -0.609 26.2 167.2-124.1 71.4 11.9 -17.1 52.8 7 7 A P H > S+ 0 0 74 0, 0.0 4,-1.1 0, 0.0 -1,-0.1 0.840 81.9 43.1 -50.1 -42.1 8.1 -17.8 53.4 8 8 A H H > S+ 0 0 12 2,-0.2 4,-2.2 1,-0.2 3,-0.4 0.954 114.5 47.1 -75.3 -52.6 7.2 -14.7 51.3 9 9 A L H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.879 110.6 55.5 -53.3 -41.9 9.7 -15.3 48.4 10 10 A D H X S+ 0 0 78 -4,-3.0 4,-1.6 1,-0.2 -1,-0.2 0.852 108.3 47.2 -58.1 -38.1 8.6 -19.0 48.3 11 11 A A H X S+ 0 0 43 -4,-1.1 4,-1.5 -3,-0.4 -2,-0.2 0.875 113.1 47.5 -75.3 -38.1 5.0 -18.1 47.8 12 12 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.892 109.9 54.1 -66.0 -41.4 5.7 -15.5 45.1 13 13 A E H X S+ 0 0 38 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.877 105.8 52.4 -62.6 -41.8 8.0 -18.0 43.3 14 14 A R H X S+ 0 0 204 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.919 110.7 48.0 -51.1 -54.9 5.2 -20.7 43.2 15 15 A S H X S+ 0 0 25 -4,-1.5 4,-2.8 2,-0.2 3,-0.3 0.942 112.4 47.7 -54.3 -57.3 2.8 -18.1 41.6 16 16 A L H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 -2,-0.2 0.907 112.5 49.0 -53.8 -47.5 5.4 -17.0 39.0 17 17 A R H < S+ 0 0 91 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.779 113.7 46.6 -67.2 -25.6 6.3 -20.6 38.1 18 18 A D H < S+ 0 0 84 -4,-1.7 267,-0.9 -3,-0.3 266,-0.5 0.920 121.8 36.1 -74.3 -44.9 2.5 -21.5 37.8 19 19 A T H < S+ 0 0 2 -4,-2.8 261,-0.2 1,-0.2 -2,-0.2 0.861 137.5 10.5 -73.6 -45.7 1.7 -18.4 35.6 20 20 A S >< + 0 0 0 -4,-3.1 3,-1.4 -5,-0.3 4,-0.3 -0.389 63.3 151.7-139.6 61.5 4.8 -18.1 33.6 21 21 A P G > S+ 0 0 39 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.867 78.1 58.4 -65.3 -27.8 7.2 -21.1 33.8 22 22 A G G 3 S+ 0 0 40 1,-0.3 -5,-0.1 -3,-0.1 -2,-0.0 0.642 100.3 55.7 -75.8 -13.7 8.5 -20.4 30.3 23 23 A L G X>>S+ 0 0 2 -3,-1.4 3,-2.0 -7,-0.2 5,-1.8 0.352 75.9 121.9-100.0 1.3 9.7 -16.9 31.1 24 24 A E B <45S+a 28 0A 78 -3,-1.3 5,-0.2 -4,-0.3 -7,-0.0 -0.489 77.3 24.8 -65.3 129.1 11.9 -18.0 34.0 25 25 A G T 345S+ 0 0 26 3,-3.0 -1,-0.3 -2,-0.2 4,-0.2 0.394 130.7 42.0 94.1 -4.1 15.4 -16.9 33.3 26 26 A S T <45S+ 0 0 38 -3,-2.0 -2,-0.2 2,-0.6 193,-0.1 0.467 126.3 15.8-128.1 -69.4 14.3 -14.0 31.1 27 27 A V T <5S+ 0 0 2 -4,-1.2 243,-1.9 1,-0.2 2,-0.3 0.678 134.7 21.8 -90.2 -19.5 11.2 -12.0 32.3 28 28 A W E < +aB 24 269A 2 -5,-1.8 -3,-3.0 241,-0.2 -2,-0.6 -0.988 65.7 166.8-143.4 152.5 11.5 -13.3 35.9 29 29 A Q E - B 0 268A 46 239,-2.5 239,-3.0 -2,-0.3 2,-0.4 -0.845 22.4-148.8-165.2 128.0 14.2 -14.9 38.0 30 30 A R E + B 0 267A 49 237,-0.3 2,-0.3 -2,-0.2 237,-0.3 -0.778 28.1 174.5 -86.5 137.9 14.9 -15.8 41.7 31 31 A T E - B 0 266A 20 235,-3.2 235,-2.9 -2,-0.4 2,-0.2 -0.997 22.2-144.5-146.1 151.3 18.5 -15.7 42.9 32 32 A D E S+ 0 0 109 -2,-0.3 232,-0.1 233,-0.2 231,-0.1 -0.617 73.0 47.9 -99.1 163.1 20.5 -16.0 46.0 33 33 A G E + 0 0 10 -2,-0.2 228,-2.5 1,-0.2 229,-1.1 0.761 69.3 149.3 82.8 29.4 23.7 -14.1 47.0 34 34 A N E - B 0 264A 0 230,-2.2 230,-3.1 -3,-0.2 229,-0.4 -0.513 34.3-143.1 -87.3 164.4 22.7 -10.6 46.3 35 35 A R E -J 206 0B 86 171,-2.6 171,-2.3 227,-0.2 2,-0.9 -0.990 13.9-130.9-130.2 131.8 24.0 -7.5 48.0 36 36 A L E -J 205 0B 20 -2,-0.4 2,-1.2 169,-0.2 169,-0.2 -0.744 38.7-124.2 -83.1 113.0 22.0 -4.4 48.9 37 37 A D + 0 0 21 167,-1.2 -1,-0.1 -2,-0.9 167,-0.1 -0.403 47.1 157.5 -74.4 90.0 24.4 -1.8 47.6 38 38 A A - 0 0 21 -2,-1.2 3,-0.1 8,-0.1 8,-0.1 -0.897 33.1-131.5-114.1 136.9 25.3 0.6 50.4 39 39 A P > - 0 0 50 0, 0.0 3,-1.4 0, 0.0 6,-0.3 -0.268 44.0 -76.4 -76.1 171.8 28.4 2.9 50.9 40 40 A D T 3 S+ 0 0 163 1,-0.3 0, 0.0 5,-0.1 0, 0.0 -0.476 118.2 14.8 -74.3 135.1 30.4 3.1 54.1 41 41 A G T 3 S+ 0 0 85 -2,-0.2 -1,-0.3 -3,-0.1 0, 0.0 0.600 115.9 77.5 74.2 15.7 28.7 5.2 56.8 42 42 A D X + 0 0 49 -3,-1.4 3,-2.0 1,-0.1 4,-0.1 -0.505 54.1 170.2-151.4 66.5 25.4 5.0 55.0 43 43 A P T 3 S+ 0 0 96 0, 0.0 3,-0.4 0, 0.0 437,-0.1 0.760 82.6 43.6 -62.6 -31.7 24.0 1.4 55.7 44 44 A A T > S+ 0 0 16 1,-0.2 3,-2.0 2,-0.1 -7,-0.1 0.150 81.3 112.8 -94.7 16.5 20.5 2.1 54.2 45 45 A G T < + 0 0 1 -3,-2.0 -1,-0.2 1,-0.3 -8,-0.1 0.564 61.3 72.7 -65.5 -10.5 22.2 3.9 51.3 46 46 A W T 3 S+ 0 0 3 -3,-0.4 158,-2.0 -10,-0.2 2,-0.8 0.666 81.0 80.2 -68.5 -26.2 21.0 1.1 49.0 47 47 A L E < S-K 203 0B 2 -3,-2.0 2,-1.0 156,-0.2 156,-0.2 -0.836 71.9-163.3 -90.3 104.6 17.5 2.6 49.4 48 48 A L E +K 202 0B 0 154,-1.5 154,-2.3 -2,-0.8 2,-0.2 -0.665 18.0 167.9 -97.3 79.5 17.5 5.5 46.9 49 49 A Q E -K 201 0B 10 -2,-1.0 19,-0.3 152,-0.2 152,-0.2 -0.627 27.0-118.5 -93.6 149.4 14.5 7.8 47.8 50 50 A T E S+K 200 0B 3 150,-2.1 150,-2.6 -2,-0.2 142,-0.0 -0.982 84.4 1.8-137.5 140.5 14.1 11.2 46.4 51 51 A P S S- 0 0 4 0, 0.0 14,-1.6 0, 0.0 13,-1.6 -0.987 72.5-169.3 -80.7 -8.3 14.0 13.9 47.5 52 52 A G + 0 0 12 12,-0.3 11,-1.2 11,-0.2 12,-0.8 0.994 39.8 131.8 52.5 66.6 14.6 12.5 51.0 53 53 A a > - 0 0 10 9,-0.2 3,-1.1 10,-0.1 6,-0.3 -0.325 34.9-177.9-139.9 49.9 13.8 15.8 52.8 54 54 A W T 3 + 0 0 65 1,-0.2 374,-0.2 7,-0.1 3,-0.0 -0.237 63.8 17.0 -57.8 134.2 11.4 14.6 55.6 55 55 A G T 3 S+ 0 0 40 372,-3.6 2,-0.3 433,-0.1 -1,-0.2 0.619 102.0 97.6 85.0 11.5 9.9 17.2 57.9 56 56 A D X - 0 0 60 -3,-1.1 3,-1.3 371,-0.4 -1,-0.1 -0.867 48.1-171.2-141.4 108.3 10.6 20.2 55.7 57 57 A A T 3 S+ 0 0 17 -2,-0.3 377,-3.3 1,-0.3 378,-0.4 0.501 94.6 56.8 -75.3 -12.1 8.0 21.7 53.4 58 58 A G T 3 S- 0 0 20 375,-0.2 -1,-0.3 376,-0.2 375,-0.1 0.589 96.8-148.1 -87.1 -12.6 10.8 23.9 51.9 59 59 A a < + 0 0 2 -3,-1.3 3,-0.2 -6,-0.3 -2,-0.1 0.865 39.6 154.5 48.8 47.3 12.7 20.7 51.0 60 60 A K + 0 0 175 1,-0.2 2,-0.9 -7,-0.1 -1,-0.1 0.834 59.6 55.5 -76.3 -29.1 16.1 22.5 51.5 61 61 A D + 0 0 97 -8,-0.1 2,-2.0 -5,-0.1 3,-0.3 -0.698 64.1 179.8-111.6 87.2 18.1 19.4 52.4 62 62 A R > + 0 0 49 -2,-0.9 4,-2.3 1,-0.2 -9,-0.2 -0.463 17.6 154.7 -90.7 70.4 17.6 16.9 49.6 63 63 A A H > S+ 0 0 35 -2,-2.0 4,-1.5 -11,-1.2 -11,-0.2 0.708 72.7 52.5 -71.5 -26.2 19.8 14.1 51.0 64 64 A G H > S+ 0 0 0 -13,-1.6 4,-2.5 -12,-0.8 -12,-0.3 0.916 108.9 48.0 -73.9 -49.8 17.9 11.5 49.0 65 65 A T H > S+ 0 0 13 -14,-1.6 4,-2.5 2,-0.2 5,-0.3 0.968 111.5 51.4 -48.2 -59.8 18.3 13.3 45.7 66 66 A R H X S+ 0 0 135 -4,-2.3 4,-2.0 -15,-0.3 -2,-0.2 0.880 113.6 43.8 -45.0 -53.1 22.1 13.8 46.3 67 67 A R H X S+ 0 0 50 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.844 111.0 54.4 -61.5 -44.4 22.6 10.1 47.1 68 68 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 -19,-0.3 -2,-0.2 0.970 114.6 40.6 -52.6 -55.7 20.4 8.9 44.2 69 69 A L H X S+ 0 0 40 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.793 113.3 52.4 -67.2 -32.5 22.5 11.0 41.7 70 70 A D H X S+ 0 0 75 -4,-2.0 4,-2.5 -5,-0.3 -1,-0.2 0.888 111.3 49.2 -72.4 -35.8 25.9 10.1 43.4 71 71 A K H X S+ 0 0 13 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.889 110.3 48.7 -73.3 -38.4 25.0 6.4 43.1 72 72 A M H X S+ 0 0 24 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.973 115.1 46.1 -59.1 -54.8 24.0 6.6 39.4 73 73 A T H X S+ 0 0 33 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.938 115.6 45.4 -50.6 -54.7 27.2 8.5 38.5 74 74 A R H X S+ 0 0 114 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.836 109.8 53.2 -67.1 -36.8 29.4 6.1 40.5 75 75 A N H < S+ 0 0 5 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.915 114.9 42.4 -63.3 -39.2 27.8 2.9 39.2 76 76 A I H >< S+ 0 0 0 -4,-2.0 3,-2.0 1,-0.2 -2,-0.2 0.901 109.0 57.5 -73.3 -41.6 28.4 4.2 35.7 77 77 A A H 3< S+ 0 0 29 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.793 102.9 57.1 -56.7 -32.1 32.0 5.4 36.5 78 78 A D T 3< S+ 0 0 113 -4,-1.5 -1,-0.3 -5,-0.2 2,-0.2 0.382 81.3 125.5 -78.2 -2.1 32.8 1.8 37.6 79 79 A A < + 0 0 0 -3,-2.0 33,-0.2 24,-0.2 4,-0.1 -0.431 31.4 174.6 -66.1 131.2 31.8 0.3 34.2 80 80 A R S S- 0 0 141 -2,-0.2 33,-0.6 2,-0.2 -1,-0.2 0.746 80.0 -10.9 -93.0 -38.1 34.3 -1.9 32.3 81 81 A H S S+ 0 0 73 1,-0.3 34,-3.6 33,-0.1 2,-0.3 0.742 116.3 37.2-133.6 -48.9 32.1 -3.0 29.4 82 82 A T E -l 115 0B 0 32,-0.3 93,-2.2 2,-0.0 2,-0.4 -0.963 37.2-177.1-129.5 138.0 28.3 -2.4 29.5 83 83 A V E -lM 116 174B 0 32,-2.4 34,-2.6 -2,-0.3 2,-0.5 -0.999 13.9-170.7-124.2 125.8 25.8 0.3 30.6 84 84 A D E +lM 117 173B 0 89,-2.5 89,-1.8 -2,-0.4 2,-0.5 -0.882 6.2 179.8-126.5 101.2 22.1 -0.6 30.1 85 85 A I E +lM 118 172B 13 32,-2.8 34,-3.2 -2,-0.5 2,-0.3 -0.890 4.9 174.2-104.3 126.1 19.4 2.2 30.7 86 86 A S E +lM 119 171B 3 85,-2.4 85,-1.4 -2,-0.5 2,-0.3 -0.934 16.2 141.9-119.3 151.4 15.7 1.9 30.4 87 87 A S E -l 120 0B 4 32,-2.0 34,-1.4 -2,-0.3 2,-0.4 -0.949 50.7 -85.1-165.6-179.4 13.1 4.6 31.2 88 88 A L E S-l 121 0B 34 -2,-0.3 98,-0.3 32,-0.2 34,-0.1 -0.883 71.6 -63.5-100.7 136.7 9.8 6.2 30.3 89 89 A A S S+ 0 0 11 32,-2.4 2,-0.2 -2,-0.4 34,-0.1 -0.330 105.2 68.5 -60.9 144.8 10.1 9.0 27.7 90 90 A P S S- 0 0 50 0, 0.0 96,-0.3 0, 0.0 -2,-0.2 0.405 90.9-117.2 -64.0 156.6 11.5 11.8 27.8 91 91 A F - 0 0 14 -2,-0.2 6,-0.1 1,-0.1 40,-0.0 -0.286 52.5 -70.4 -52.1 148.2 15.1 10.5 27.8 92 92 A P + 0 0 9 0, 0.0 2,-0.2 0, 0.0 95,-0.2 -0.180 62.9 177.7 -51.7 134.3 17.0 11.5 31.0 93 93 A N >> + 0 0 45 93,-2.1 3,-1.4 -3,-0.1 4,-1.3 -0.649 41.5 13.1-128.9-175.7 17.8 15.2 31.3 94 94 A G H 3> S- 0 0 20 1,-0.2 4,-2.0 2,-0.2 3,-0.4 -0.099 129.8 -8.2 43.7-133.8 19.4 17.6 33.8 95 95 A G H 3> S+ 0 0 20 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.683 134.4 60.4 -63.1 -27.2 21.3 15.8 36.6 96 96 A F H <> S+ 0 0 3 -3,-1.4 4,-0.9 2,-0.2 -1,-0.2 0.898 109.6 44.5 -64.8 -42.5 20.0 12.4 35.6 97 97 A E H >X S+ 0 0 7 -4,-1.3 4,-2.4 -3,-0.4 3,-0.7 0.934 110.2 54.3 -62.7 -46.7 21.8 13.0 32.2 98 98 A D H 3X S+ 0 0 69 -4,-2.0 4,-3.0 1,-0.3 5,-0.4 0.813 102.5 58.2 -59.1 -33.3 25.0 14.4 33.9 99 99 A A H 3X S+ 0 0 2 -4,-1.5 4,-1.7 2,-0.2 -1,-0.3 0.875 109.8 43.8 -60.9 -38.9 25.3 11.2 36.0 100 100 A V H S+ 0 0 0 -4,-1.7 5,-2.4 2,-0.2 -2,-0.2 0.883 113.7 47.1 -60.4 -46.7 35.0 4.8 32.5 108 108 A V H ><5S+ 0 0 30 -4,-2.6 3,-1.5 3,-0.2 -2,-0.2 0.863 109.7 53.1 -63.2 -38.2 36.7 6.1 29.3 109 109 A A H 3<5S+ 0 0 91 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.860 103.2 57.4 -72.5 -26.8 39.3 7.9 31.5 110 110 A A T 3<5S- 0 0 66 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.501 130.3 -99.9 -74.0 -0.5 39.9 4.5 33.3 111 111 A G T < 5S+ 0 0 63 -3,-1.5 -3,-0.2 1,-0.3 2,-0.1 0.553 79.0 131.3 97.8 8.6 40.8 3.1 29.8 112 112 A H < - 0 0 38 -5,-2.4 -1,-0.3 -33,-0.2 -31,-0.1 -0.466 49.3-150.3 -94.6 163.6 37.5 1.4 28.8 113 113 A S - 0 0 66 -33,-0.6 37,-0.1 -2,-0.1 -33,-0.1 -0.677 29.9-162.8-128.1 73.5 35.3 1.5 25.7 114 114 A P - 0 0 0 0, 0.0 37,-2.1 0, 0.0 2,-0.4 -0.293 15.2-136.7 -67.4 141.0 31.8 0.8 27.2 115 115 A R E -ln 82 151B 64 -34,-3.6 -32,-2.4 35,-0.2 2,-0.4 -0.821 27.5-164.2 -86.9 132.5 28.8 -0.3 25.1 116 116 A V E -ln 83 152B 0 35,-4.0 37,-1.5 -2,-0.4 2,-0.4 -0.988 13.7-168.6-126.6 127.6 25.7 1.6 26.1 117 117 A R E -ln 84 153B 0 -34,-2.6 -32,-2.8 -2,-0.4 2,-0.4 -0.931 3.3-173.9-105.3 136.6 22.0 0.9 25.5 118 118 A I E -ln 85 154B 0 35,-2.8 37,-2.7 -2,-0.4 2,-0.5 -0.936 9.1-179.9-129.5 118.1 19.3 3.6 26.2 119 119 A L E +ln 86 155B 0 -34,-3.2 -32,-2.0 -2,-0.4 2,-0.4 -0.947 5.0 179.8-123.1 121.3 15.7 2.5 25.8 120 120 A V E -ln 87 156B 0 35,-2.8 37,-2.0 -2,-0.5 2,-0.3 -0.922 22.2-135.9-116.9 146.5 12.5 4.5 26.4 121 121 A G E -ln 88 157B 0 -34,-1.4 -32,-2.4 46,-0.8 2,-0.4 -0.756 23.0-158.0 -89.6 144.5 8.8 3.6 26.0 122 122 A A - 0 0 2 35,-2.3 5,-0.1 -2,-0.3 43,-0.1 -0.994 14.2-128.8-129.3 126.4 6.7 6.3 24.2 123 123 A A - 0 0 21 -2,-0.4 38,-0.1 3,-0.4 35,-0.0 -0.503 34.2-110.6 -66.6 143.6 2.9 6.7 24.5 124 124 A P S S+ 0 0 28 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.682 108.4 30.5 -55.4 -19.4 1.3 6.9 21.0 125 125 A I S S+ 0 0 145 1,-0.2 2,-2.6 3,-0.0 -3,-0.0 0.880 106.5 61.0-106.8 -54.7 0.4 10.7 21.3 126 126 A Y + 0 0 101 1,-0.1 -3,-0.4 2,-0.1 -1,-0.2 -0.476 59.8 154.2 -67.6 76.7 2.9 12.6 23.5 127 127 A H - 0 0 70 -2,-2.6 -1,-0.1 -3,-0.2 2,-0.1 -0.589 33.4-164.8-133.7 94.5 6.0 12.1 21.5 128 128 A L - 0 0 68 -2,-0.2 -2,-0.1 1,-0.1 -3,-0.0 -0.967 52.1 -49.9-173.3 -12.5 7.2 14.6 22.6 129 129 A N S S+ 0 0 132 -2,-0.1 2,-1.1 -39,-0.0 -1,-0.1 0.113 94.3 156.6 13.3 42.2 9.9 16.2 21.4 130 130 A V + 0 0 4 -40,-0.1 26,-0.1 -41,-0.0 -41,-0.0 -0.530 6.1 153.8 -91.1 93.3 11.0 12.5 21.7 131 131 A V > - 0 0 40 -2,-1.1 4,-2.7 1,-0.1 3,-0.3 -0.883 33.8-163.8-130.6 108.0 13.9 11.8 19.3 132 132 A P H > S+ 0 0 3 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.845 94.2 51.0 -51.1 -42.0 16.7 9.1 19.6 133 133 A S H > S+ 0 0 54 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.864 113.0 45.6 -69.9 -35.6 19.0 10.7 17.0 134 134 A R H > S+ 0 0 118 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.915 114.6 47.6 -74.4 -41.6 18.8 14.1 18.7 135 135 A Y H X S+ 0 0 15 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.928 112.4 48.8 -61.1 -49.1 19.3 12.6 22.1 136 136 A R H X S+ 0 0 52 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.874 111.3 51.3 -54.6 -41.5 22.3 10.5 20.9 137 137 A D H X S+ 0 0 86 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.837 107.8 52.3 -67.0 -36.4 23.8 13.7 19.3 138 138 A E H X S+ 0 0 91 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.942 111.2 45.6 -65.2 -51.0 23.4 15.5 22.5 139 139 A L H X S+ 0 0 1 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.833 111.3 53.7 -55.1 -44.5 25.3 12.8 24.5 140 140 A I H X S+ 0 0 59 -4,-2.2 4,-1.0 -5,-0.2 7,-0.3 0.974 112.1 44.0 -59.2 -49.2 27.9 12.7 21.8 141 141 A G H >< S+ 0 0 60 -4,-2.4 3,-0.7 1,-0.2 -2,-0.2 0.924 116.6 46.0 -58.2 -49.0 28.4 16.5 22.2 142 142 A K H 3< S+ 0 0 92 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.770 107.7 59.1 -62.7 -29.9 28.4 16.4 26.0 143 143 A L H >< S- 0 0 1 -4,-2.2 3,-1.3 1,-0.2 -1,-0.2 0.705 85.1-173.4 -76.6 -19.3 30.8 13.4 25.9 144 144 A G G X< - 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0 0 13 75,-2.6 8,-0.2 -2,-0.3 3,-0.2 -0.956 6.9-171.3-134.2 114.4 5.8 1.6 21.4 159 159 A T S S+ 0 0 6 6,-0.9 2,-0.3 -2,-0.4 7,-0.2 0.816 76.2 13.3 -77.1 -34.7 4.8 -2.1 21.3 160 160 A S B > -R 165 0C 19 5,-1.9 5,-2.1 1,-0.1 -1,-0.3 -0.946 51.9-172.7-145.9 123.8 1.0 -1.6 20.9 161 161 A K T > 5S+ 0 0 145 -2,-0.3 3,-1.0 3,-0.2 -1,-0.1 0.954 93.6 41.5 -72.6 -54.3 -0.9 1.6 19.9 162 162 A T T 3 5S+ 0 0 114 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.786 120.2 43.4 -68.4 -33.5 -4.4 0.2 20.4 163 163 A S T 3 5S- 0 0 21 2,-0.1 -1,-0.2 111,-0.1 -2,-0.2 0.188 107.0-123.1-100.8 14.4 -3.5 -1.7 23.7 164 164 A L T < 5 + 0 0 40 -3,-1.0 300,-0.5 1,-0.2 2,-0.4 0.878 55.1 152.4 50.5 56.1 -1.5 1.2 25.1 165 165 A S B < +R 160 0C 0 -5,-2.1 -5,-1.9 109,-0.1 -6,-0.9 -0.973 1.0 128.6-123.5 131.1 1.8 -0.7 25.7 166 166 A W - 0 0 34 -2,-0.4 300,-2.0 -8,-0.2 2,-0.3 -0.936 62.4 -65.8-163.0 171.1 5.4 0.6 25.7 167 167 A N B +s 466 0D 0 -10,-0.5 -46,-0.8 -2,-0.3 -78,-0.3 -0.494 48.2 156.7 -70.4 130.5 8.4 0.4 28.0 168 168 A A + 0 0 4 298,-3.0 -80,-0.2 -2,-0.3 299,-0.2 0.376 33.6 124.5-129.3 -0.9 8.1 2.1 31.5 169 169 A S - 0 0 0 297,-2.0 2,-0.6 -82,-0.2 -48,-0.2 -0.261 51.4-148.7 -49.3 143.2 10.7 0.0 33.3 170 170 A K + 0 0 10 12,-0.4 12,-1.1 298,-0.3 2,-0.4 -0.921 32.6 158.9-130.4 91.9 13.3 2.3 34.9 171 171 A L E -MP 86 181B 4 -85,-1.4 -85,-2.4 -2,-0.6 2,-0.3 -0.973 29.8-179.4-130.7 137.3 16.6 0.4 34.9 172 172 A L E +MP 85 180B 12 8,-2.2 8,-1.9 -2,-0.4 2,-0.4 -0.912 20.3 173.2-130.9 106.9 20.3 1.2 35.2 173 173 A V E -MP 84 179B 0 -89,-1.8 -89,-2.5 -2,-0.3 2,-0.5 -0.934 13.7-159.7-118.2 134.8 22.5 -2.0 35.0 174 174 A V E >> S-MP 83 178B 4 4,-2.6 3,-2.9 -2,-0.4 4,-1.9 -0.979 70.9 -21.1-124.8 128.7 26.3 -2.0 34.8 175 175 A D T 34 S- 0 0 16 -93,-2.2 -1,-0.1 -2,-0.5 -92,-0.1 0.711 108.0 -78.3 50.1 32.3 28.4 -4.9 33.5 176 176 A G T 34 S+ 0 0 11 2,-0.2 -1,-0.3 34,-0.1 34,-0.1 0.647 127.0 92.1 47.4 20.4 25.4 -7.2 34.3 177 177 A K T <4 S+ 0 0 138 -3,-2.9 30,-2.2 1,-0.3 2,-0.3 0.699 79.8 35.0-114.4 -33.1 26.7 -6.8 37.9 178 178 A T E < -PQ 174 206B 26 -4,-1.9 -4,-2.6 28,-0.2 2,-0.3 -0.969 62.4-170.1-126.7 148.5 24.9 -3.8 39.5 179 179 A A E -PQ 173 205B 0 26,-2.3 26,-3.1 -2,-0.3 2,-0.4 -0.998 11.0-171.1-140.8 135.8 21.3 -2.7 39.0 180 180 A I E +PQ 172 204B 4 -8,-1.9 -8,-2.2 -2,-0.3 2,-0.3 -0.999 27.8 154.6-124.4 124.7 19.4 0.5 40.1 181 181 A T E +PQ 171 203B 0 22,-2.1 22,-2.2 -2,-0.4 2,-0.3 -0.974 8.7 98.5-151.8 161.5 15.6 0.3 39.6 182 182 A G E S- Q 0 202B 0 -12,-1.1 -12,-0.4 -2,-0.3 20,-0.3 -0.984 80.2 -45.8 151.9-148.7 12.4 1.7 40.8 183 183 A G S S+ 0 0 0 18,-1.9 2,-0.5 -2,-0.3 19,-0.1 0.410 83.6 119.4-102.9 -2.6 9.9 4.4 39.9 184 184 A I - 0 0 12 -14,-0.1 2,-0.3 17,-0.1 -2,-0.1 -0.560 43.2-162.2 -82.8 116.9 12.2 7.3 39.1 185 185 A N - 0 0 1 -2,-0.5 2,-1.8 2,-0.1 -94,-0.1 -0.687 33.4-110.6 -86.4 152.8 12.0 8.8 35.6 186 186 A G + 0 0 5 -96,-0.3 -93,-2.1 -98,-0.3 2,-0.8 -0.287 69.9 136.6 -81.3 53.8 14.9 11.0 34.4 187 187 A W >> - 0 0 49 -2,-1.8 4,-2.5 -95,-0.2 3,-1.2 -0.825 33.8-172.1-109.2 92.9 12.7 14.1 34.4 188 188 A K H 3>>S+ 0 0 56 -2,-0.8 4,-2.8 1,-0.3 5,-2.2 0.791 82.7 54.8 -59.2 -35.0 14.6 17.0 36.0 189 189 A D H 345S+ 0 0 93 1,-0.2 -1,-0.3 3,-0.2 -2,-0.0 0.795 115.5 38.5 -71.3 -31.9 11.7 19.4 36.1 190 190 A D H <45S+ 0 0 59 -3,-1.2 8,-2.2 7,-0.1 -2,-0.2 0.791 132.4 24.4 -84.4 -36.3 9.5 17.0 38.1 191 191 A Y H <5S+ 0 0 0 -4,-2.5 -3,-0.2 6,-0.2 -2,-0.2 0.773 132.0 12.7-100.8 -30.4 12.3 15.6 40.3 192 192 A L T <5S+ 0 0 22 -4,-2.8 2,-1.4 -5,-0.3 -3,-0.2 0.839 112.2 50.9-119.7 -62.3 15.1 18.1 40.6 193 193 A D S > S- 0 0 6 -30,-2.2 3,-2.1 -2,-0.3 4,-0.8 -0.774 100.4 -29.8 126.0-178.9 24.8 -9.7 42.4 208 208 A P H >> S+ 0 0 14 0, 0.0 4,-1.5 0, 0.0 3,-0.7 0.794 126.4 64.6 -47.3 -31.9 23.2 -12.4 40.3 209 209 A A H 3> S+ 0 0 0 1,-0.3 4,-1.5 2,-0.2 -32,-0.1 0.649 92.1 62.4 -71.8 -17.9 19.9 -10.3 40.2 210 210 A A H <> S+ 0 0 0 -3,-2.1 4,-1.4 -33,-0.2 -1,-0.3 0.850 104.8 48.0 -72.2 -32.9 21.7 -7.6 38.3 211 211 A R H < S+ 0 0 27 -4,-3.1 3,-0.8 2,-0.2 -2,-0.2 0.930 117.4 46.1 -56.3 -47.2 16.2 -4.3 17.2 226 226 A R H >< S+ 0 0 132 -4,-2.6 3,-1.2 -5,-0.3 -2,-0.2 0.947 111.9 51.2 -60.9 -47.6 13.9 -6.6 15.2 227 227 A N G >< S+ 0 0 24 -4,-2.9 3,-1.8 1,-0.3 7,-0.6 0.384 78.8 92.6 -82.1 7.1 11.1 -4.0 15.2 228 228 A A G < S+ 0 0 35 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.1 0.634 72.4 75.8 -68.6 -10.7 13.2 -1.1 13.9 229 229 A S G < S+ 0 0 108 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.1 0.588 93.3 57.4 -68.7 -10.7 12.0 -2.3 10.5 230 230 A D X> - 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