==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (SERINE ESTERASE) 07-OCT-94 1ESC . COMPND 2 MOLECULE: ESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES SCABIEI; . AUTHOR Y.WEI,J.L.SCHOTTEL,U.DEREWENDA,L.SWENSON,S.PATKAR, . 302 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12882.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 205 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 14 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 16.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 28.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.0 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 3 0 0 1 0 0 1 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 2 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 4 A D 0 0 182 0, 0.0 51,-0.6 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 120.7 58.5 34.3 6.7 2 5 A P E -a 52 0A 65 0, 0.0 51,-0.3 0, 0.0 49,-0.0 -0.418 360.0-151.7 -66.5 146.1 58.9 32.8 3.3 3 6 A V E -a 53 0A 17 49,-1.2 51,-2.8 -2,-0.1 2,-0.2 -0.968 20.7-132.6-120.7 99.2 58.5 28.9 3.4 4 7 A P E -a 54 0A 12 0, 0.0 90,-1.9 0, 0.0 91,-1.2 -0.467 35.6-173.9 -57.5 122.9 60.7 27.7 0.5 5 8 A T E -ab 55 95A 0 49,-2.9 51,-2.7 -2,-0.2 52,-0.8 -0.982 24.6-160.9-129.4 145.1 58.5 25.2 -1.4 6 9 A V E -ab 57 96A 1 89,-2.8 91,-1.8 -2,-0.3 2,-0.4 -0.971 9.5-160.0-121.4 133.9 58.8 22.8 -4.4 7 10 A F E +ab 58 97A 2 50,-1.9 52,-2.4 -2,-0.4 2,-0.3 -0.851 21.9 164.9-109.2 139.7 55.6 21.5 -6.2 8 11 A F + 0 0 3 89,-1.9 91,-0.4 -2,-0.4 52,-0.3 -0.862 13.1 89.6-147.0 172.3 56.1 18.3 -8.2 9 12 A G - 0 0 0 50,-0.4 52,-1.8 -2,-0.3 91,-0.2 -0.837 57.2 -64.4 137.1-171.4 53.9 15.7 -9.8 10 13 A D S >> S- 0 0 1 89,-1.4 3,-2.3 -2,-0.3 4,-2.1 -0.071 75.9 -54.1-105.3-163.6 51.9 14.4 -12.8 11 14 A S H 3>>S+ 0 0 9 1,-0.3 5,-1.6 2,-0.2 4,-1.3 0.685 128.8 63.8 -60.3 -19.5 48.8 15.7 -14.7 12 15 A Y H 345S+ 0 0 27 2,-0.2 -1,-0.3 3,-0.2 26,-0.2 0.617 113.2 33.8 -83.4 -5.3 46.7 15.9 -11.5 13 16 A T H <45S+ 0 0 0 -3,-2.3 -2,-0.2 86,-0.2 -1,-0.2 0.577 118.5 50.1-111.2 -33.3 49.1 18.7 -10.2 14 17 A A H <5S- 0 0 0 -4,-2.1 20,-2.7 23,-0.1 -2,-0.2 0.794 106.5-135.9 -75.1 -26.3 49.9 20.2 -13.5 15 18 A N T ><5 - 0 0 0 -4,-1.3 3,-2.5 -5,-0.3 -3,-0.2 0.949 16.7-148.5 64.6 60.3 46.1 20.3 -14.0 16 19 A F T 3 -E 34 0B 12 13,-0.3 3,-0.6 14,-0.1 13,-0.3 -0.527 13.9-117.1 -85.4 151.4 49.4 26.8 -19.9 22 25 A T T 3 S+ 0 0 28 11,-3.3 11,-0.3 1,-0.2 9,-0.2 -0.602 99.0 18.1 -85.3 155.6 52.7 28.0 -18.4 23 26 A N T > S+ 0 0 84 -2,-0.2 3,-2.2 1,-0.1 6,-0.3 0.771 76.1 170.7 51.0 36.4 55.7 28.0 -20.9 24 27 A Q T < S+ 0 0 136 -3,-0.6 -1,-0.1 1,-0.3 -2,-0.1 0.772 75.3 38.2 -38.8 -45.0 53.3 27.9 -23.9 25 28 A D T 3 S+ 0 0 168 3,-0.1 -1,-0.3 4,-0.0 2,-0.3 -0.097 108.7 64.9-104.3 22.2 56.1 28.5 -26.3 26 29 A S S X S- 0 0 60 -3,-2.2 3,-1.7 1,-0.0 4,-0.2 -0.789 99.9 -77.5-137.2-177.2 59.0 26.5 -24.8 27 30 A E G > S+ 0 0 90 1,-0.3 3,-1.4 -2,-0.3 53,-0.1 0.819 123.2 59.1 -51.5 -46.4 59.9 22.9 -24.2 28 31 A R G > >S+ 0 0 61 1,-0.3 3,-1.4 2,-0.1 5,-0.5 0.274 75.7 92.3 -71.2 8.9 57.7 22.6 -21.1 29 32 A G G X 5S+ 0 0 7 -3,-1.7 3,-1.5 1,-0.3 -1,-0.3 0.823 79.5 63.7 -68.7 -31.6 54.6 23.5 -23.0 30 33 A W G < 5S+ 0 0 78 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.1 0.348 86.5 71.0 -73.1 0.9 54.2 19.7 -23.4 31 34 A a G < 5S- 0 0 1 -3,-1.4 31,-2.8 -9,-0.2 -1,-0.3 0.586 93.0-145.6 -86.6 -21.8 53.8 19.5 -19.6 32 35 A F T < 5 + 0 0 22 -3,-1.5 2,-0.8 -4,-0.2 -14,-0.3 0.840 33.2 170.7 54.2 41.5 50.4 21.1 -20.0 33 36 A Q < - 0 0 19 -5,-0.5 -11,-3.3 -11,-0.3 -1,-0.2 -0.744 28.1-134.6 -85.1 110.2 51.0 22.8 -16.6 34 37 A A B > -E 21 0B 0 -20,-2.7 3,-0.9 -2,-0.8 -13,-0.3 -0.321 8.5-132.3 -67.5 149.7 48.2 25.3 -16.1 35 38 A K T 3 S+ 0 0 110 -15,-2.6 2,-0.3 1,-0.3 -1,-0.1 0.819 111.1 44.0 -64.7 -38.6 49.1 28.8 -14.9 36 39 A E T 3 S+ 0 0 77 -16,-0.5 -1,-0.3 4,-0.1 2,-0.1 -0.395 81.8 146.8-108.6 57.4 46.3 28.3 -12.4 37 40 A N X> - 0 0 3 -3,-0.9 4,-1.9 -2,-0.3 3,-0.8 -0.370 69.8 -88.5 -81.5 174.1 46.9 24.7 -11.2 38 41 A Y H 3> S+ 0 0 0 1,-0.3 4,-3.7 2,-0.2 5,-0.2 0.885 129.2 57.5 -54.3 -45.9 46.1 23.8 -7.6 39 42 A P H 3> S+ 0 0 2 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.891 107.8 47.2 -49.6 -47.0 49.6 24.8 -6.4 40 43 A A H <> S+ 0 0 24 -3,-0.8 4,-1.8 2,-0.2 -2,-0.2 0.956 117.2 41.9 -57.9 -54.8 49.0 28.4 -7.9 41 44 A V H X S+ 0 0 21 -4,-1.9 4,-2.1 1,-0.2 5,-0.2 0.895 111.9 54.7 -63.3 -42.4 45.6 28.7 -6.2 42 45 A A H X S+ 0 0 0 -4,-3.7 4,-2.6 -5,-0.3 5,-0.2 0.933 106.3 52.0 -63.1 -45.3 46.8 27.1 -3.0 43 46 A T H X S+ 0 0 35 -4,-2.3 4,-2.6 -5,-0.2 10,-0.2 0.894 110.6 49.0 -53.4 -48.7 49.6 29.7 -2.6 44 47 A R H X S+ 0 0 123 -4,-1.8 4,-2.1 2,-0.2 5,-0.2 0.978 113.1 45.2 -49.3 -69.1 47.1 32.6 -3.1 45 48 A S H < S+ 0 0 46 -4,-2.1 -1,-0.2 1,-0.3 4,-0.2 0.867 114.8 48.4 -44.2 -51.1 44.6 31.3 -0.5 46 49 A L H ><>S+ 0 0 1 -4,-2.6 5,-2.6 -5,-0.2 3,-2.0 0.904 105.5 59.4 -62.5 -42.2 47.4 30.6 1.9 47 50 A A H ><5S+ 0 0 51 -4,-2.6 3,-2.5 1,-0.3 -2,-0.2 0.951 105.0 48.3 -53.7 -51.7 48.9 34.1 1.3 48 51 A D T 3<5S+ 0 0 137 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.452 108.7 53.0 -74.3 8.9 45.7 35.8 2.5 49 52 A K T < 5S- 0 0 125 -3,-2.0 -1,-0.3 2,-0.2 -2,-0.2 0.124 128.2-104.6-114.7 8.6 45.5 33.6 5.6 50 53 A G T < 5S+ 0 0 62 -3,-2.5 2,-0.6 1,-0.2 -3,-0.2 0.496 79.9 131.1 77.1 12.7 49.1 34.8 6.2 51 54 A I < - 0 0 21 -5,-2.6 2,-0.7 -6,-0.1 -2,-0.2 -0.880 41.9-158.6 -94.4 118.9 51.2 31.7 5.1 52 55 A T E -a 2 0A 72 -2,-0.6 -49,-1.2 -51,-0.6 2,-0.4 -0.867 6.8-169.2-111.8 102.2 53.9 32.9 2.7 53 56 A L E -a 3 0A 15 -2,-0.7 2,-1.0 -51,-0.3 -6,-0.0 -0.730 14.0-150.6 -84.8 128.7 55.2 30.2 0.5 54 57 A D E -a 4 0A 77 -51,-2.8 -49,-2.9 -2,-0.4 2,-0.7 -0.888 21.9-147.0-102.3 101.5 58.3 31.1 -1.4 55 58 A V E +a 5 0A 60 -2,-1.0 -49,-0.2 -51,-0.2 3,-0.1 -0.598 22.4 178.9 -74.3 113.5 57.7 28.9 -4.4 56 59 A Q E - 0 0 52 -51,-2.7 2,-0.3 -2,-0.7 -50,-0.2 0.715 65.7 -12.4 -87.3 -26.2 61.1 27.7 -5.7 57 60 A A E -a 6 0A 25 -52,-0.8 -50,-1.9 -49,-0.0 2,-0.4 -0.920 44.0-158.6-169.4 150.3 59.9 25.5 -8.6 58 61 A D E +a 7 0A 33 -2,-0.3 -50,-0.2 -52,-0.2 -25,-0.0 -0.889 26.2 164.7-137.5 100.7 56.6 23.9 -9.8 59 62 A V + 0 0 20 -52,-2.4 -50,-0.4 -2,-0.4 -51,-0.2 0.046 20.1 136.7-111.4 22.9 57.9 21.0 -11.9 60 63 A S - 0 0 0 -52,-0.3 2,-0.3 -47,-0.1 -50,-0.3 -0.283 30.4-180.0 -62.9 154.5 54.7 19.0 -12.2 61 64 A a > - 0 0 0 -52,-1.8 3,-1.6 -29,-0.1 -29,-0.2 -0.927 32.3 -97.6-160.5 140.1 54.2 17.8 -15.8 62 65 A G T 3 S+ 0 0 13 -31,-2.8 -30,-0.1 -2,-0.3 -29,-0.1 -0.138 106.0 18.9 -59.2 146.3 51.6 15.7 -17.6 63 66 A G T 3 S+ 0 0 17 1,-0.2 -1,-0.2 62,-0.1 2,-0.1 0.438 82.5 156.0 74.5 1.9 52.4 12.1 -18.0 64 67 A A < - 0 0 0 -3,-1.6 39,-0.5 -55,-0.2 37,-0.4 -0.376 28.2-154.2 -63.2 131.2 55.1 12.0 -15.2 65 68 A L > - 0 0 33 38,-0.2 3,-1.5 -2,-0.1 4,-0.1 -0.543 33.6-100.6 -94.7 169.1 55.6 8.5 -13.7 66 69 A I G > S+ 0 0 0 1,-0.3 3,-1.7 -2,-0.2 4,-0.2 0.925 122.5 55.3 -55.8 -48.3 56.9 8.1 -10.2 67 70 A H G >> S+ 0 0 33 1,-0.3 4,-1.0 2,-0.2 3,-0.9 0.505 86.1 79.8 -67.2 -4.1 60.5 7.4 -11.4 68 71 A H G <4 S+ 0 0 23 -3,-1.5 17,-2.4 1,-0.3 -1,-0.3 0.451 78.9 73.1 -78.7 -4.6 60.5 10.6 -13.4 69 72 A F G <4 S+ 0 0 1 -3,-1.7 17,-2.9 15,-0.2 -1,-0.3 0.779 116.3 18.6 -74.6 -35.8 61.3 12.1 -10.0 70 73 A W T <4 S+ 0 0 40 -3,-0.9 2,-0.3 -4,-0.2 -2,-0.3 0.414 125.3 58.7-119.2 3.0 64.7 10.5 -10.4 71 74 A E S < S- 0 0 86 -4,-1.0 14,-0.4 12,-0.1 2,-0.3 -0.864 90.2 -90.7-127.4 164.1 64.9 10.0 -14.2 72 75 A K - 0 0 113 -2,-0.3 2,-0.5 12,-0.1 -3,-0.1 -0.510 37.0-136.1 -74.8 130.4 64.6 12.2 -17.3 73 76 A Q E -F 82 0C 14 9,-1.2 9,-3.3 -2,-0.3 2,-0.7 -0.740 9.4-145.4 -90.0 130.2 61.1 12.6 -18.7 74 77 A E E -F 81 0C 138 -2,-0.5 7,-0.3 7,-0.3 3,-0.1 -0.853 17.9-145.1 -89.5 113.4 60.9 12.4 -22.4 75 78 A L > - 0 0 8 5,-3.6 3,-1.0 -2,-0.7 5,-0.4 -0.435 32.8 -76.4 -76.9 160.9 58.1 14.8 -23.7 76 79 A P G > S+ 0 0 55 0, 0.0 3,-1.5 0, 0.0 -1,-0.2 -0.033 104.8 3.1 -59.0 148.5 55.9 13.9 -26.7 77 80 A F G 3 S- 0 0 173 1,-0.2 -2,-0.0 2,-0.1 -3,-0.0 0.221 127.9 -56.6 55.7 4.4 57.0 14.2 -30.3 78 81 A G G < S+ 0 0 68 -3,-1.0 -1,-0.2 2,-0.2 3,-0.1 0.602 88.7 139.1 111.1 17.8 60.7 15.1 -29.6 79 82 A A < - 0 0 35 -3,-1.5 2,-0.3 1,-0.3 -2,-0.1 0.935 68.7 -98.2 -52.3 -56.5 60.1 18.2 -27.5 80 83 A G - 0 0 17 -5,-0.4 -5,-3.6 -4,-0.1 2,-0.4 -0.959 32.4 -69.9 161.3-170.5 62.9 17.1 -25.3 81 84 A E E -F 74 0C 80 -2,-0.3 -7,-0.3 -7,-0.3 -9,-0.1 -0.976 40.8-146.8-116.2 126.3 63.9 15.4 -22.2 82 85 A L E -F 73 0C 5 -9,-3.3 -9,-1.2 -2,-0.4 3,-0.1 -0.644 25.9-103.7 -96.4 153.8 63.2 17.1 -18.9 83 86 A P - 0 0 65 0, 0.0 -10,-0.2 0, 0.0 -12,-0.1 -0.393 51.5 -78.8 -71.5 156.8 65.5 16.8 -15.9 84 87 A P > - 0 0 22 0, 0.0 3,-1.2 0, 0.0 -15,-0.2 -0.156 39.5-125.2 -48.9 142.1 64.6 14.5 -13.1 85 88 A Q G > S+ 0 0 9 -17,-2.4 3,-2.3 -14,-0.4 4,-0.3 0.873 106.2 72.0 -65.2 -26.9 62.0 16.4 -10.9 86 89 A Q G > S+ 0 0 21 -17,-2.9 3,-1.9 1,-0.3 -1,-0.2 0.809 81.2 75.5 -55.3 -28.0 64.3 15.8 -7.8 87 90 A D G < S+ 0 0 102 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.624 83.0 65.4 -59.3 -18.5 66.7 18.3 -9.3 88 91 A A G < S+ 0 0 22 -3,-2.3 -1,-0.3 -4,-0.2 -2,-0.2 0.603 83.0 98.5 -80.2 -18.8 64.3 21.2 -8.2 89 92 A L < - 0 0 17 -3,-1.9 2,-0.3 -4,-0.3 84,-0.1 -0.424 53.5-170.1 -72.4 147.9 64.9 20.4 -4.5 90 93 A K > - 0 0 114 -2,-0.2 3,-1.8 1,-0.1 -2,-0.1 -0.925 36.9-111.5-132.1 157.5 67.4 22.4 -2.5 91 94 A Q T 3 S+ 0 0 157 -2,-0.3 84,-0.5 1,-0.3 -1,-0.1 0.863 120.7 51.8 -59.5 -34.5 68.8 21.8 1.0 92 95 A D T 3 S+ 0 0 85 82,-0.1 -1,-0.3 81,-0.1 2,-0.2 0.504 79.4 120.8 -82.8 -4.6 66.9 24.8 2.2 93 96 A T < + 0 0 0 -3,-1.8 82,-0.4 79,-0.2 -88,-0.2 -0.489 35.8 178.2 -59.5 126.0 63.6 23.5 0.7 94 97 A Q + 0 0 90 -90,-1.9 83,-2.8 1,-0.2 2,-0.4 0.455 60.7 43.0-108.4 -11.8 61.1 23.2 3.6 95 98 A L E +bc 5 177A 0 -91,-1.2 -89,-2.8 81,-0.3 2,-0.4 -0.964 54.0 179.5-146.7 125.9 57.9 22.1 1.8 96 99 A T E +bc 6 178A 0 81,-2.4 83,-2.8 -2,-0.4 2,-0.4 -0.984 10.2 171.0-129.3 122.2 57.3 19.6 -1.0 97 100 A V E +bc 7 179A 0 -91,-1.8 -89,-1.9 -2,-0.4 2,-0.3 -0.992 17.4 116.1-131.8 131.3 53.8 18.9 -2.4 98 101 A G E - c 0 180A 0 81,-1.6 83,-3.2 -2,-0.4 2,-0.4 -0.957 51.9-113.7-178.4 173.7 52.7 16.8 -5.4 99 102 A S + 0 0 1 -91,-0.4 -89,-1.4 -2,-0.3 2,-0.3 -0.978 37.0 164.0-124.3 125.6 50.8 13.8 -6.7 100 103 A L + 0 0 0 -2,-0.4 -35,-0.1 81,-0.2 -2,-0.1 -0.940 43.5 63.9-141.3 142.4 52.9 11.0 -8.3 101 104 A G >> + 0 0 0 -37,-0.4 4,-2.1 -2,-0.3 3,-0.6 -0.133 64.9 88.0 141.6 -49.6 51.6 7.5 -8.8 102 105 A G H 3>>S+ 0 0 6 1,-0.2 4,-2.3 2,-0.2 5,-2.2 0.850 95.6 48.8 -53.5 -42.6 48.7 7.1 -11.2 103 106 A N H 345S+ 0 0 26 -39,-0.5 -1,-0.2 3,-0.2 -38,-0.2 0.682 107.6 54.6 -73.3 -22.9 51.0 6.8 -14.3 104 107 A T H <45S+ 0 0 0 -3,-0.6 -1,-0.2 -40,-0.2 -2,-0.2 0.932 113.5 41.5 -76.4 -38.6 53.2 4.2 -12.6 105 108 A L H <5S- 0 0 0 -4,-2.1 -2,-0.2 52,-0.1 -1,-0.1 0.929 115.9-128.0 -62.8 -45.5 50.0 2.1 -12.0 106 109 A G T X5 + 0 0 2 -4,-2.3 4,-1.3 -5,-0.3 -3,-0.2 0.890 43.6 169.8 94.2 58.4 49.0 3.0 -15.5 107 110 A F H > S+ 0 0 20 1,-0.2 4,-2.7 2,-0.2 3,-0.3 0.890 104.6 50.7 -61.7 -44.7 45.8 5.7 -18.5 109 112 A R H > S+ 0 0 75 1,-0.2 4,-1.2 2,-0.2 20,-0.7 0.737 109.0 52.4 -65.9 -29.3 46.5 2.1 -19.8 110 113 A I H X S+ 0 0 0 -4,-1.3 4,-1.3 -3,-0.2 -1,-0.2 0.747 111.2 46.1 -74.6 -32.6 43.4 0.9 -17.8 111 114 A L H < S+ 0 0 7 -4,-1.3 4,-0.4 -3,-0.3 7,-0.2 0.927 113.0 49.3 -75.2 -49.6 41.2 3.6 -19.5 112 115 A K H >< S+ 0 0 18 -4,-2.7 3,-0.9 1,-0.2 7,-0.3 0.850 109.3 53.5 -60.8 -33.5 42.5 2.8 -23.0 113 116 A Q H 3< S+ 0 0 0 -4,-1.2 25,-0.3 1,-0.3 -1,-0.2 0.929 111.0 46.4 -63.9 -47.8 41.9 -0.9 -22.3 114 117 A b T 3< S+ 0 0 1 -4,-1.3 2,-0.3 1,-0.2 -1,-0.3 0.399 113.4 54.2 -77.3 -0.1 38.3 -0.2 -21.4 115 118 A S <> - 0 0 0 -3,-0.9 4,-1.7 -4,-0.4 3,-0.4 -0.838 48.9-168.8-151.4 119.1 37.7 2.1 -24.4 116 119 A D T 4 S+ 0 0 94 -2,-0.3 4,-0.3 1,-0.3 -1,-0.1 0.774 99.6 59.2 -60.3 -33.9 38.1 1.6 -28.2 117 120 A E T >4 S+ 0 0 66 1,-0.2 3,-1.0 2,-0.2 -1,-0.3 0.902 107.2 45.1 -63.3 -43.3 37.5 5.4 -28.5 118 121 A L T 34 S+ 0 0 2 -3,-0.4 -2,-0.3 1,-0.2 -1,-0.2 0.816 101.6 69.0 -74.9 -24.7 40.5 5.9 -26.2 119 122 A R T 3< S+ 0 0 62 -4,-1.7 -1,-0.2 -7,-0.3 -2,-0.2 0.497 88.2 79.4 -69.6 -8.5 42.5 3.3 -28.3 120 123 A K S < S- 0 0 116 -3,-1.0 0, 0.0 -4,-0.3 0, 0.0 -0.686 108.6 -57.0 -93.9 159.8 42.5 5.7 -31.3 121 124 A P S S+ 0 0 142 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.073 74.6 148.2 -46.2 123.3 45.0 8.6 -31.4 122 125 A S - 0 0 36 2,-0.2 -4,-0.0 -4,-0.1 153,-0.0 -0.960 59.7-109.5-151.4 163.7 44.8 10.9 -28.4 123 126 A L S S+ 0 0 52 -2,-0.3 152,-0.0 2,-0.1 0, 0.0 0.155 87.2 104.3 -83.1 17.2 46.9 13.1 -26.2 124 127 A L S S- 0 0 16 -6,-0.2 -2,-0.2 2,-0.1 2,-0.1 -0.968 74.0-131.0-104.7 114.1 46.5 10.6 -23.3 125 128 A P + 0 0 68 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 -0.245 58.3 53.2 -67.8 153.5 49.8 8.7 -23.0 126 129 A G - 0 0 30 -18,-0.1 -2,-0.1 -2,-0.1 3,-0.1 -0.336 66.6-102.7 112.1 167.0 49.9 5.0 -22.9 127 130 A D - 0 0 115 -2,-0.1 -14,-0.2 1,-0.1 -15,-0.1 -0.922 44.7 -89.8-128.2 150.5 48.9 1.8 -24.5 128 131 A P - 0 0 26 0, 0.0 3,-0.4 0, 0.0 -18,-0.2 -0.084 35.2-126.6 -51.5 159.2 46.1 -0.7 -23.6 129 132 A V S S+ 0 0 27 -20,-0.7 2,-1.1 1,-0.3 -19,-0.1 0.949 104.8 17.6 -77.2 -70.5 47.4 -3.4 -21.2 130 133 A D S > S- 0 0 47 1,-0.1 3,-1.2 2,-0.1 -1,-0.3 -0.696 77.3-173.2 -94.5 88.3 46.1 -6.3 -23.5 131 134 A G T 3 S+ 0 0 45 -2,-1.1 -1,-0.1 -3,-0.4 4,-0.1 0.463 81.3 49.0 -58.1 -3.2 45.5 -4.6 -26.8 132 135 A D T 3 S+ 0 0 157 2,-0.1 -1,-0.2 3,-0.0 -2,-0.1 0.649 90.7 88.6-104.6 -29.1 43.8 -7.7 -28.5 133 136 A E S < S- 0 0 62 -3,-1.2 2,-0.5 1,-0.1 3,-0.0 -0.339 93.4-102.9 -65.7 154.9 41.4 -8.2 -25.6 134 137 A P >> - 0 0 54 0, 0.0 3,-3.0 0, 0.0 4,-0.8 -0.744 9.1-126.8-100.4 138.5 38.4 -6.1 -26.4 135 138 A A G >4 S+ 0 0 3 -2,-0.5 3,-2.3 1,-0.3 4,-0.2 0.835 110.1 53.9 -31.5 -65.8 37.3 -2.8 -25.0 136 139 A A G 34 S+ 0 0 68 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.652 106.5 53.0 -48.1 -28.5 33.8 -4.1 -24.0 137 140 A K G X> S+ 0 0 75 -3,-3.0 3,-2.4 1,-0.2 4,-1.6 0.448 74.4 111.5 -89.1 -7.7 35.3 -7.0 -22.0 138 141 A b H >S+ 0 0 77 -3,-2.4 4,-4.1 3,-0.1 5,-2.4 0.698 108.7 59.7-109.9 -46.0 36.5 -9.2 -16.8 141 144 A F H <5S+ 0 0 8 -4,-1.6 7,-1.6 1,-0.3 6,-1.3 0.845 115.1 35.6 -54.4 -44.8 40.0 -8.8 -18.0 142 145 A F T <5S+ 0 0 6 -4,-1.7 -1,-0.3 5,-0.3 -3,-0.1 0.689 123.6 43.8 -84.8 -23.0 40.9 -6.8 -14.9 143 146 A G T 45S- 0 0 37 -5,-0.2 -2,-0.2 4,-0.0 -3,-0.1 0.718 138.6 -2.9 -95.7 -25.6 38.7 -8.8 -12.5 144 147 A T T <5S+ 0 0 116 -4,-4.1 -3,-0.2 0, 0.0 -2,-0.1 0.583 116.5 70.0-136.1 -26.7 39.4 -12.3 -13.6 145 148 A G S >> S+ 0 0 127 1,-0.2 4,-2.1 2,-0.2 3,-0.8 0.773 127.0 67.7 -59.4 -33.7 45.3 -11.5 -17.2 147 150 A G H 3> S+ 0 0 0 -6,-1.3 4,-2.5 1,-0.3 -5,-0.3 0.937 90.7 63.4 -56.7 -47.1 44.6 -7.9 -16.1 148 151 A K H 3> S+ 0 0 99 -7,-1.6 4,-0.8 -3,-0.4 -1,-0.3 0.805 109.6 36.6 -53.5 -35.7 44.0 -9.1 -12.6 149 152 A Q H < S+ 0 0 1 -4,-2.7 3,-1.8 -5,-0.2 -1,-0.2 -0.729 70.7 171.9-135.9 73.2 65.7 18.3 1.3 174 177 A P T 3 S+ 0 0 81 0, 0.0 -4,-0.1 0, 0.0 -83,-0.1 0.625 78.1 48.5 -65.3 -15.9 66.2 16.9 4.8 175 178 A D T 3 S+ 0 0 119 -84,-0.5 2,-0.3 -82,-0.4 -5,-0.1 0.318 86.9 116.2-107.0 3.0 64.3 19.6 6.4 176 179 A A < - 0 0 12 -3,-1.8 2,-0.4 -7,-0.2 -81,-0.3 -0.536 63.0-134.4 -76.1 134.7 61.3 19.4 4.1 177 180 A K E -c 95 0A 106 -83,-2.8 -81,-2.4 -2,-0.3 2,-0.5 -0.748 30.2-137.7 -82.2 131.4 57.8 18.5 5.3 178 181 A R E -c 96 0A 38 -2,-0.4 60,-3.3 58,-0.4 2,-0.5 -0.880 21.4-174.7-102.3 126.2 56.5 16.0 2.6 179 182 A V E -cd 97 238A 3 -83,-2.8 -81,-1.6 -2,-0.5 2,-0.5 -0.980 6.3-165.3-121.6 111.6 53.0 16.2 1.3 180 183 A L E -cd 98 239A 1 58,-2.7 60,-1.8 -2,-0.5 2,-0.5 -0.889 16.5-146.4 -94.5 119.5 51.8 13.4 -1.0 181 184 A V E - d 0 240A 1 -83,-3.2 -81,-0.2 -2,-0.5 60,-0.1 -0.827 9.6-143.1 -95.9 131.2 48.5 14.5 -2.7 182 185 A G - 0 0 2 58,-3.0 59,-0.1 -2,-0.5 43,-0.0 -0.295 23.4 -99.2 -81.9 171.5 45.9 11.9 -3.5 183 186 A Y - 0 0 11 38,-0.1 60,-0.4 -2,-0.1 -1,-0.1 -0.703 36.8-108.6 -90.7 142.5 43.7 11.8 -6.6 184 187 A P - 0 0 5 0, 0.0 2,-0.3 0, 0.0 59,-0.2 -0.280 46.2 -89.2 -67.6 154.5 40.1 12.9 -6.6 185 188 A R - 0 0 41 57,-0.5 64,-0.1 58,-0.2 66,-0.1 -0.567 40.7-173.6 -69.4 126.6 37.4 10.2 -6.8 186 189 A L + 0 0 3 -2,-0.3 65,-2.1 1,-0.2 66,-0.5 0.903 68.6 35.8 -85.1 -54.3 36.5 9.6 -10.5 187 190 A V S S- 0 0 2 63,-0.2 -1,-0.2 64,-0.1 4,-0.1 -0.915 82.7-128.4-105.9 131.2 33.5 7.1 -10.3 188 191 A P - 0 0 4 0, 0.0 30,-0.1 0, 0.0 3,-0.1 -0.270 24.4-109.0 -79.8 164.2 30.9 7.4 -7.5 189 192 A E S S+ 0 0 175 58,-0.3 2,-0.9 1,-0.3 29,-0.0 0.851 116.2 56.8 -58.0 -38.6 29.6 4.7 -5.2 190 193 A D > - 0 0 75 1,-0.1 3,-1.1 2,-0.0 -1,-0.3 -0.805 68.5-178.9 -96.2 92.9 26.3 4.8 -7.2 191 194 A T G >> + 0 0 16 -2,-0.9 3,-3.1 1,-0.3 4,-0.5 0.690 68.2 83.3 -65.6 -21.9 27.4 4.1 -10.8 192 195 A T G >4 S+ 0 0 83 1,-0.3 3,-2.5 2,-0.2 -1,-0.3 0.889 81.5 67.5 -49.0 -40.4 23.8 4.4 -12.2 193 196 A K G X4 S+ 0 0 81 -3,-1.1 3,-0.9 1,-0.3 -1,-0.3 0.612 88.8 63.2 -52.6 -20.4 24.6 8.2 -12.2 194 197 A c G <4 S+ 0 0 3 -3,-3.1 12,-0.3 1,-0.2 -1,-0.3 0.662 84.3 77.4 -82.3 -16.7 27.2 7.7 -15.0 195 198 A L G << S+ 0 0 92 -3,-2.5 2,-0.3 -4,-0.5 -1,-0.2 0.579 86.3 72.0 -66.6 -13.9 24.4 6.5 -17.2 196 199 A T S < S- 0 0 99 -3,-0.9 2,-0.3 -4,-0.2 58,-0.1 -0.711 85.0-124.2-101.8 154.1 23.3 10.2 -17.7 197 200 A A - 0 0 30 -2,-0.3 7,-0.2 7,-0.2 3,-0.1 -0.683 40.9 -97.7 -90.8 149.9 25.2 12.7 -19.8 198 201 A A > - 0 0 8 5,-0.6 3,-4.5 -2,-0.3 -1,-0.1 -0.503 54.6 -77.9 -74.0 143.4 26.1 15.9 -17.7 199 202 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.145 124.3 12.6 -40.3 114.0 23.9 18.9 -18.2 200 203 A G T 3 S+ 0 0 79 1,-0.4 2,-0.3 -3,-0.1 -2,-0.1 0.303 106.2 110.8 96.2 -7.1 24.9 20.3 -21.5 201 204 A Q < - 0 0 67 -3,-4.5 -1,-0.4 1,-0.1 -4,-0.1 -0.683 48.3-166.6-102.4 154.6 27.0 17.4 -22.5 202 205 A T S S+ 0 0 132 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.1 0.667 74.0 69.1-108.8 -31.0 26.2 15.0 -25.3 203 206 A Q S S- 0 0 80 1,-0.1 -5,-0.6 -5,-0.1 58,-0.1 -0.654 88.0-111.9 -97.8 155.2 28.8 12.4 -24.3 204 207 A L > - 0 0 57 -2,-0.3 3,-1.5 -7,-0.2 59,-0.4 -0.271 36.1-101.0 -69.4 162.7 28.5 10.3 -21.2 205 208 A P T 3 S+ 0 0 8 0, 0.0 57,-2.8 0, 0.0 59,-0.3 0.920 122.3 25.5 -51.4 -50.4 31.1 10.9 -18.3 206 209 A F T > S- 0 0 7 1,-0.3 3,-2.5 -12,-0.3 46,-0.0 -0.168 95.5-146.9-109.5 37.8 33.1 7.9 -19.4 207 210 A A T < S- 0 0 16 -3,-1.5 -1,-0.3 1,-0.3 -92,-0.0 0.040 73.9 -5.0 37.4-124.3 32.2 7.6 -23.1 208 211 A D T 3 S+ 0 0 56 -4,-0.1 -1,-0.3 2,-0.1 -92,-0.2 0.300 92.0 131.8 -80.4 4.3 32.2 4.0 -24.3 209 212 A I < - 0 0 10 -3,-2.5 -3,-0.1 1,-0.1 -94,-0.1 -0.527 68.6-108.1 -68.2 123.5 33.4 2.4 -21.2 210 213 A P >> - 0 0 22 0, 0.0 3,-2.5 0, 0.0 4,-1.0 -0.228 20.4-131.6 -51.7 123.8 31.2 -0.5 -20.3 211 214 A Q T 34 S+ 0 0 65 1,-0.3 -17,-0.1 2,-0.2 -2,-0.1 0.608 107.3 60.5 -46.4 -25.1 29.0 0.4 -17.3 212 215 A D T 34 S+ 0 0 100 2,-0.2 -1,-0.3 1,-0.2 4,-0.2 0.709 99.1 55.2 -82.3 -30.5 30.0 -2.9 -15.7 213 216 A A T X> S+ 0 0 1 -3,-2.5 4,-2.0 1,-0.2 3,-1.5 0.788 89.1 83.7 -78.7 -25.8 33.6 -1.9 -15.8 214 217 A L H 3X S+ 0 0 3 -4,-1.0 4,-1.5 1,-0.3 -1,-0.2 0.864 89.1 46.1 -47.2 -51.3 32.7 1.3 -13.8 215 218 A P H 3> S+ 0 0 66 0, 0.0 4,-1.1 0, 0.0 -1,-0.3 0.698 111.0 53.9 -70.6 -15.3 32.8 -0.2 -10.3 216 219 A V H <> S+ 0 0 27 -3,-1.5 4,-3.2 -4,-0.2 -2,-0.2 0.867 104.5 54.6 -80.6 -43.2 36.2 -2.0 -11.0 217 220 A L H X S+ 0 0 2 -4,-2.0 4,-1.1 1,-0.2 -1,-0.1 0.897 110.7 46.0 -58.2 -43.6 37.7 1.2 -12.0 218 221 A D H X S+ 0 0 21 -4,-1.5 4,-2.7 2,-0.2 -1,-0.2 0.836 109.6 53.9 -68.8 -37.1 36.6 2.6 -8.6 219 222 A Q H X S+ 0 0 103 -4,-1.1 4,-2.3 1,-0.2 -2,-0.2 0.978 110.4 47.8 -58.0 -54.9 37.9 -0.5 -6.8 220 223 A I H X S+ 0 0 0 -4,-3.2 4,-1.5 1,-0.2 -1,-0.2 0.776 111.7 50.0 -58.5 -31.3 41.3 0.1 -8.5 221 224 A Q H X S+ 0 0 10 -4,-1.1 4,-2.3 -5,-0.2 -1,-0.2 0.893 108.6 51.7 -78.3 -39.4 41.2 3.8 -7.5 222 225 A K H X S+ 0 0 94 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.962 110.6 50.4 -54.9 -52.7 40.5 3.0 -3.9 223 226 A R H X S+ 0 0 90 -4,-2.3 4,-2.9 2,-0.3 -1,-0.2 0.878 108.8 48.6 -49.4 -51.5 43.4 0.6 -3.9 224 227 A L H X S+ 0 0 3 -4,-1.5 4,-2.6 2,-0.2 -1,-0.3 0.912 111.1 53.6 -63.9 -38.9 45.8 3.1 -5.4 225 228 A N H X S+ 0 0 9 -4,-2.3 4,-2.2 2,-0.2 -2,-0.3 0.905 108.9 46.9 -63.7 -46.4 44.5 5.5 -2.7 226 229 A D H X S+ 0 0 64 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.870 111.6 52.6 -63.9 -38.8 45.3 2.9 0.1 227 230 A A H X S+ 0 0 20 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.927 111.1 46.1 -60.6 -45.8 48.7 2.4 -1.5 228 231 A M H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.889 111.6 51.7 -64.7 -40.2 49.5 6.1 -1.4 229 232 A K H X S+ 0 0 89 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.947 113.3 45.0 -60.8 -48.6 48.2 6.4 2.2 230 233 A K H X S+ 0 0 129 -4,-2.2 4,-3.2 2,-0.2 5,-0.2 0.921 109.9 53.3 -58.9 -53.0 50.4 3.6 3.4 231 234 A A H < S+ 0 0 9 -4,-2.6 4,-0.4 1,-0.2 -1,-0.2 0.867 113.4 44.6 -53.3 -44.0 53.5 4.8 1.5 232 235 A A H >X>S+ 0 0 2 -4,-1.9 5,-1.9 2,-0.2 3,-0.9 0.899 112.8 49.5 -69.6 -46.4 53.1 8.2 3.2 233 236 A A H ><5S+ 0 0 75 -4,-2.6 3,-1.3 1,-0.3 -2,-0.2 0.976 114.0 45.9 -59.1 -54.5 52.4 6.8 6.7 234 237 A D T 3<5S+ 0 0 108 -4,-3.2 -1,-0.3 1,-0.2 -2,-0.2 0.530 116.1 47.5 -62.8 -12.9 55.5 4.5 6.5 235 238 A G T <45S- 0 0 18 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.2 0.362 112.2-105.9-115.3 5.2 57.7 7.3 5.1 236 239 A G T <<5S+ 0 0 58 -3,-1.3 -58,-0.4 -4,-0.7 -3,-0.2 0.535 76.2 129.8 84.0 12.1 57.0 10.2 7.3 237 240 A A < - 0 0 14 -5,-1.9 -1,-0.3 -6,-0.2 2,-0.3 -0.427 57.0-122.2 -92.7 168.5 54.9 12.2 4.8 238 241 A D E -d 179 0A 54 -60,-3.3 -58,-2.7 -2,-0.1 2,-0.4 -0.740 26.6-146.7-102.1 154.4 51.5 13.8 5.2 239 242 A F E -d 180 0A 26 -2,-0.3 2,-0.7 -60,-0.2 -58,-0.2 -0.994 8.8-149.6-131.6 137.2 48.7 12.7 2.7 240 243 A V E -d 181 0A 5 -60,-1.8 -58,-3.0 -2,-0.4 2,-1.4 -0.936 16.9-154.6-103.7 106.3 45.9 14.8 1.3 241 244 A D > + 0 0 42 -2,-0.7 4,-0.6 1,-0.2 -60,-0.1 -0.710 26.7 163.8 -88.6 86.3 43.1 12.2 0.8 242 245 A L T >4 + 0 0 3 -2,-1.4 3,-0.7 1,-0.2 -57,-0.5 0.832 68.8 65.3 -75.6 -32.0 41.1 13.8 -2.0 243 246 A Y G >4 S+ 0 0 14 -60,-0.4 3,-1.2 1,-0.2 -58,-0.2 0.899 94.3 57.4 -56.2 -47.9 39.3 10.6 -2.7 244 247 A A G 34 S+ 0 0 76 1,-0.2 3,-0.3 2,-0.1 -1,-0.2 0.794 114.9 37.6 -57.7 -30.4 37.4 10.5 0.7 245 248 A G G << S+ 0 0 58 -3,-0.7 -1,-0.2 -4,-0.6 -2,-0.2 0.238 102.1 65.7-110.1 15.9 35.9 13.9 0.0 246 249 A T X + 0 0 5 -3,-1.2 3,-2.3 -4,-0.4 12,-0.2 0.046 60.1 121.4-120.4 22.7 35.0 14.1 -3.7 247 250 A G T 3 S+ 0 0 32 1,-0.3 -58,-0.3 -3,-0.3 -1,-0.1 0.544 86.0 32.9 -61.2 -16.5 32.4 11.3 -3.5 248 251 A A T 3 S+ 0 0 57 -3,-0.2 -1,-0.3 -60,-0.1 -2,-0.1 -0.094 111.8 64.9-126.8 20.6 29.7 13.7 -4.8 249 252 A N S < S+ 0 0 36 -3,-2.3 9,-1.8 -64,-0.1 -2,-0.2 -0.019 76.8 128.6-134.0 27.8 32.1 15.7 -7.1 250 253 A T S > S- 0 0 0 7,-0.2 3,-1.2 8,-0.1 8,-0.4 0.044 80.6 -92.2 -73.1-177.1 32.9 12.8 -9.4 251 254 A A T 3 S+ 0 0 3 -65,-2.1 3,-0.2 1,-0.3 -64,-0.1 0.655 127.0 53.4 -69.4 -22.8 32.7 12.8 -13.2 252 255 A c T 3 S+ 0 0 5 -66,-0.5 -1,-0.3 1,-0.2 -56,-0.1 0.154 78.1 93.7-100.0 14.9 29.1 11.5 -12.8 253 256 A D S X S- 0 0 23 -3,-1.2 3,-2.6 1,-0.3 2,-0.4 -0.034 79.6-142.1-101.5 30.7 27.7 14.2 -10.4 254 257 A G T 3 S+ 0 0 21 1,-0.3 3,-0.3 2,-0.2 -1,-0.3 -0.332 78.2 1.9 55.0-105.1 26.3 16.3 -13.4 255 258 A A T 3 S+ 0 0 70 -2,-0.4 -1,-0.3 1,-0.2 -57,-0.0 0.485 132.3 58.4 -88.6 -10.2 26.8 19.9 -12.7 256 259 A D S < S+ 0 0 96 -3,-2.6 -2,-0.2 -6,-0.0 -1,-0.2 0.317 80.9 129.0 -99.3 1.6 28.6 19.3 -9.3 257 260 A R - 0 0 32 -3,-0.3 -7,-0.2 -4,-0.2 27,-0.2 -0.223 39.1-174.4 -57.1 139.0 31.2 17.3 -11.2 258 261 A G S S+ 0 0 1 -9,-1.8 24,-2.1 -8,-0.4 2,-0.4 0.311 70.6 70.5-122.2 4.6 34.9 18.2 -10.5 259 262 A I B S-G 281 0D 1 -9,-0.4 -1,-0.2 22,-0.3 3,-0.1 -0.996 82.5-133.5-118.9 113.2 36.3 15.8 -13.1 260 263 A G - 0 0 0 20,-2.2 19,-0.6 -2,-0.4 -9,-0.1 -0.282 39.6 -92.3 -66.2 154.8 35.7 16.8 -16.8 261 264 A G - 0 0 4 17,-0.1 17,-1.1 18,-0.1 18,-0.6 -0.220 32.2-103.6 -66.8 163.7 34.4 13.8 -18.9 262 265 A L S S+ 0 0 0 -57,-2.8 16,-0.9 16,-0.3 -56,-0.1 0.884 122.3 17.8 -51.2 -53.4 36.7 11.4 -20.9 263 266 A L S S+ 0 0 42 -59,-0.4 -1,-0.2 -58,-0.2 -57,-0.1 0.289 98.2 120.9-103.9 8.0 35.7 13.1 -24.2 264 267 A E S S- 0 0 27 -59,-0.3 13,-1.7 -3,-0.2 2,-0.4 -0.356 74.2 -97.2 -66.3 152.9 34.4 16.4 -22.8 265 268 A D E -H 276 0E 89 11,-0.2 -4,-0.1 12,-0.1 -1,-0.1 -0.667 35.4-160.1 -81.2 133.2 36.2 19.5 -24.0 266 269 A S E - 0 0 2 9,-3.3 -248,-0.1 -2,-0.4 11,-0.1 0.137 38.3 -99.2 -84.0-157.8 38.9 20.9 -21.8 267 270 A Q E S+ 0 0 61 -250,-2.4 2,-0.5 7,-0.1 -249,-0.1 0.348 88.3 115.8-106.6 -1.8 40.0 24.6 -22.3 268 271 A L E - 0 0 15 7,-0.5 7,-2.2 -251,-0.3 2,-0.5 -0.631 45.6-171.6 -77.4 120.3 42.9 23.4 -24.2 269 272 A E E +H 274 0E 108 -2,-0.5 5,-0.2 5,-0.2 -2,-0.0 -0.961 9.5 174.5-115.4 113.4 43.0 24.5 -27.8 270 273 A L S S- 0 0 83 3,-1.9 -1,-0.2 -2,-0.5 4,-0.1 0.960 76.8 -21.4 -89.6 -77.5 45.6 23.1 -30.2 271 274 A L S S- 0 0 182 3,-0.1 -2,-0.1 0, 0.0 3,-0.0 0.857 132.8 -36.4 -97.5 -56.6 45.0 24.2 -33.8 272 275 A G S S+ 0 0 62 2,-0.1 2,-0.4 0, 0.0 -3,-0.0 -0.287 117.3 106.3-152.0 46.5 41.3 25.2 -33.6 273 276 A T - 0 0 86 2,-0.0 -3,-1.9 -8,-0.0 2,-0.3 -0.998 65.6-131.7-142.6 145.6 40.3 22.4 -31.3 274 277 A K E -H 269 0E 70 -2,-0.4 -5,-0.2 -5,-0.2 -7,-0.1 -0.703 28.6-140.8 -83.2 140.9 39.4 21.8 -27.7 275 278 A I E - 0 0 17 -7,-2.2 -9,-3.3 -2,-0.3 -7,-0.5 -0.846 27.7-106.4-100.8 138.6 41.3 18.9 -26.3 276 279 A P E -H 265 0E 21 0, 0.0 -11,-0.2 0, 0.0 -13,-0.1 -0.197 15.1-124.7 -61.9 159.8 39.3 16.6 -24.0 277 280 A W - 0 0 10 -13,-1.7 -15,-0.2 -16,-0.6 -14,-0.1 0.882 28.3-153.6 -68.3 -47.2 39.7 16.6 -20.2 278 281 A Y S S- 0 0 14 -17,-1.1 -16,-0.3 -16,-0.9 -17,-0.1 0.870 70.4 -52.2 66.7 39.1 40.4 12.8 -20.3 279 282 A A S S+ 0 0 0 -18,-0.6 -1,-0.2 -19,-0.6 -17,-0.1 0.809 102.0 137.7 66.0 36.0 39.0 12.6 -16.7 280 283 A H - 0 0 6 -19,-0.2 -20,-2.2 1,-0.1 -1,-0.2 -0.738 63.9 -79.2-104.7 159.3 41.2 15.4 -15.1 281 284 A P B -G 259 0D 0 0, 0.0 -22,-0.3 0, 0.0 -1,-0.1 -0.113 44.6-153.7 -59.8 143.8 39.9 18.0 -12.6 282 285 A N > - 0 0 18 -24,-2.1 4,-2.9 -3,-0.1 5,-0.1 -0.237 46.4 -68.2-101.0-161.8 38.0 20.9 -14.1 283 286 A D H > S+ 0 0 68 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.928 137.1 42.9 -59.5 -51.1 37.7 24.3 -12.5 284 287 A K H > S+ 0 0 80 2,-0.2 4,-1.7 1,-0.2 3,-0.4 0.921 115.0 49.8 -59.5 -46.9 35.6 23.1 -9.6 285 288 A G H > S+ 0 0 6 1,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.874 109.2 53.7 -61.1 -39.8 37.8 20.0 -9.1 286 289 A R H X S+ 0 0 17 -4,-2.9 4,-2.3 1,-0.2 -1,-0.3 0.782 106.6 51.0 -68.2 -29.6 40.8 22.3 -9.2 287 290 A D H X S+ 0 0 83 -4,-1.5 4,-2.7 -3,-0.4 -1,-0.2 0.801 109.7 50.2 -75.8 -33.4 39.3 24.5 -6.4 288 291 A I H X S+ 0 0 37 -4,-1.7 4,-2.9 2,-0.2 5,-0.2 0.863 111.9 48.0 -64.3 -44.5 38.6 21.5 -4.2 289 292 A Q H X S+ 0 0 3 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.958 114.7 46.3 -57.6 -56.7 42.2 20.3 -4.8 290 293 A A H X S+ 0 0 1 -4,-2.3 4,-3.1 2,-0.2 5,-0.3 0.910 114.2 47.0 -55.2 -54.0 43.5 23.8 -3.9 291 294 A K H X S+ 0 0 115 -4,-2.7 4,-3.1 1,-0.2 -2,-0.2 0.951 114.3 45.6 -52.7 -58.4 41.3 24.1 -0.8 292 295 A Q H X S+ 0 0 73 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.867 116.3 45.8 -56.8 -43.0 42.1 20.7 0.6 293 296 A V H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 5,-0.2 0.949 113.9 47.5 -69.4 -48.9 45.9 21.1 -0.0 294 297 A A H X S+ 0 0 8 -4,-3.1 4,-2.0 -5,-0.2 -2,-0.2 0.912 110.3 54.8 -56.9 -45.0 46.0 24.6 1.4 295 298 A D H >X S+ 0 0 55 -4,-3.1 4,-1.9 -5,-0.3 3,-0.9 0.966 111.2 43.8 -49.1 -67.4 44.0 23.2 4.3 296 299 A K H 3X S+ 0 0 41 -4,-2.0 4,-2.3 1,-0.3 -2,-0.2 0.770 111.4 52.4 -48.2 -44.2 46.6 20.5 5.0 297 300 A I H 3X S+ 0 0 0 -4,-2.7 4,-1.3 2,-0.2 -1,-0.3 0.865 109.4 50.8 -63.2 -39.8 49.7 22.8 4.6 298 301 A E H << S+ 0 0 42 -4,-2.0 3,-0.3 -3,-0.9 4,-0.3 0.915 111.1 48.5 -60.4 -49.9 48.1 25.2 7.1 299 302 A E H >< S+ 0 0 114 -4,-1.9 3,-1.1 1,-0.2 -2,-0.2 0.919 112.4 47.2 -55.4 -51.4 47.6 22.4 9.5 300 303 A I H 3< S+ 0 0 25 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.711 107.2 57.2 -65.3 -27.9 51.2 21.1 9.2 301 304 A L T 3< 0 0 54 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.352 360.0 360.0 -89.6 6.5 52.7 24.6 9.5 302 305 A N < 0 0 151 -3,-1.1 -1,-0.2 -4,-0.3 -2,-0.1 -0.396 360.0 360.0-130.0 360.0 51.0 25.0 12.9