==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER GLYCOSYLTRANSFERASE 10-JUN-92 1CGU . COMPND 2 MOLECULE: CYCLODEXTRIN GLYCOSYL-TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CIRCULANS; . AUTHOR C.KLEIN,J.HOLLENDER,H.BENDER,G.E.SCHULZ . 684 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22822.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 441 64.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 129 18.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 11 1.6 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 0.1 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 . 61 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 15.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.3 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 2 1 0 0 3 0 1 1 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 3 3 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 PARALLEL BRIDGES PER LADDER . 4 3 7 3 2 2 2 2 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 . 4 1 5 1 1 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 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 D 0 0 90 0, 0.0 545,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 146.8 82.8 26.9 40.9 2 2 A P - 0 0 60 0, 0.0 6,-0.1 0, 0.0 515,-0.0 -0.375 360.0-123.5 -57.8 152.4 84.2 27.1 37.5 3 3 A D S S+ 0 0 4 1,-0.2 11,-0.2 515,-0.2 5,-0.2 0.833 118.8 55.0 -57.1 -38.6 82.4 27.9 34.3 4 4 A T S S+ 0 0 45 395,-0.1 -1,-0.2 3,-0.1 4,-0.1 0.879 84.7 107.4 -65.2 -43.8 84.0 24.5 33.3 5 5 A A S > S- 0 0 24 1,-0.1 3,-2.8 2,-0.1 124,-0.0 -0.039 78.5-124.1 -54.9 136.9 82.6 22.5 36.2 6 6 A V T 3 S+ 0 0 33 1,-0.3 -1,-0.1 120,-0.1 120,-0.1 0.805 105.5 80.9 -48.3 -31.8 79.8 20.0 35.6 7 7 A T T 3 S+ 0 0 68 1,-0.2 2,-1.1 119,-0.1 -1,-0.3 0.597 70.9 95.7 -45.0 -20.7 77.9 22.0 38.2 8 8 A N X + 0 0 0 -3,-2.8 3,-0.9 1,-0.2 -1,-0.2 -0.648 40.7 165.3 -92.1 89.6 77.1 24.6 35.4 9 9 A K T 3 + 0 0 33 -2,-1.1 244,-1.6 1,-0.2 -1,-0.2 0.656 69.7 62.3 -69.5 -17.9 73.7 23.9 33.9 10 10 A Q T 3 S+ 0 0 19 242,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.587 103.4 43.8 -96.3 -7.8 73.3 27.2 32.1 11 11 A S < + 0 0 2 -3,-0.9 -1,-0.2 -8,-0.1 -3,-0.1 -0.996 41.5 167.7-138.3 136.6 76.3 27.0 29.8 12 12 A F > + 0 0 0 -2,-0.4 3,-3.0 1,-0.1 -1,-0.1 0.365 50.3 110.5-120.6 4.1 77.5 24.2 27.7 13 13 A S T 3 S+ 0 0 0 1,-0.3 -1,-0.1 342,-0.1 -9,-0.1 0.766 82.3 48.0 -57.2 -24.6 79.9 26.2 25.6 14 14 A T T 3 S+ 0 0 2 -11,-0.2 -1,-0.3 341,-0.1 2,-0.1 0.369 105.1 73.8 -95.6 3.7 82.8 24.5 27.3 15 15 A D < - 0 0 1 -3,-3.0 2,-0.3 383,-0.1 56,-0.1 -0.329 68.9-138.8-104.1-175.5 81.4 20.9 26.9 16 16 A V - 0 0 1 339,-0.1 56,-1.4 -2,-0.1 57,-1.1 -0.946 24.7-138.0-140.5 121.5 81.0 18.5 23.9 17 17 A I E -ab 73 357A 0 339,-2.8 341,-2.0 -2,-0.3 2,-0.7 -0.737 7.4-152.6 -82.2 135.3 77.7 16.7 23.9 18 18 A Y E -ab 74 358A 0 55,-2.3 57,-3.3 -2,-0.4 2,-0.7 -0.918 12.3-155.8-103.8 115.8 77.6 13.0 23.0 19 19 A Q E +ab 75 359A 7 339,-3.4 341,-3.1 -2,-0.7 2,-0.4 -0.842 17.9 173.4 -95.0 120.2 74.3 12.1 21.5 20 20 A V - 0 0 1 55,-1.5 2,-1.1 -2,-0.7 57,-0.4 -0.970 36.5-130.1-129.3 124.3 73.3 8.5 21.8 21 21 A F >> - 0 0 10 -2,-0.4 3,-1.9 1,-0.2 4,-0.7 -0.660 30.9-142.1 -66.2 99.4 70.1 6.7 21.0 22 22 A T H >> S+ 0 0 1 -2,-1.1 3,-1.5 1,-0.3 4,-0.6 0.829 94.5 47.6 -37.8 -56.5 69.7 4.9 24.3 23 23 A D H 34 S+ 0 0 3 74,-0.4 29,-1.4 1,-0.3 -1,-0.3 0.770 111.5 52.5 -65.0 -22.8 68.3 1.6 23.0 24 24 A R H <4 S+ 0 0 1 -3,-1.9 354,-2.7 27,-0.1 -1,-0.3 0.509 102.7 60.9 -89.9 6.4 71.1 1.4 20.3 25 25 A F H << S- 0 0 5 -3,-1.5 2,-0.3 -4,-0.7 -2,-0.1 0.955 110.7 -24.9 -93.0 -73.7 74.1 1.8 22.6 26 26 A L < - 0 0 51 -4,-0.6 27,-1.7 27,-0.2 2,-1.5 -0.948 44.4-139.6-151.6 121.1 74.6 -0.8 25.3 27 27 A D + 0 0 36 -2,-0.3 25,-0.1 25,-0.3 27,-0.1 -0.508 29.6 168.4 -75.9 80.1 72.2 -3.2 27.0 28 28 A G S S+ 0 0 24 -2,-1.5 -1,-0.2 25,-0.4 24,-0.1 0.829 71.5 31.1 -64.6 -37.1 73.4 -3.1 30.7 29 29 A N - 0 0 52 22,-0.2 27,-0.1 3,-0.1 -1,-0.1 -0.985 64.9-170.9-126.9 127.6 70.4 -4.8 32.2 30 30 A P S S+ 0 0 80 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.275 77.5 75.0-103.7 2.3 68.7 -7.5 30.1 31 31 A S S S+ 0 0 99 1,-0.2 2,-0.4 80,-0.0 80,-0.0 0.733 90.4 58.5 -84.3 -29.0 65.8 -8.0 32.3 32 32 A N S S+ 0 0 20 79,-0.1 -1,-0.2 19,-0.1 -3,-0.1 -0.349 83.6 118.3 -91.5 42.9 64.3 -4.6 31.2 33 33 A N S S- 0 0 25 -3,-0.4 6,-0.1 -2,-0.4 79,-0.0 -0.867 70.6-106.0-102.1 144.7 64.3 -5.9 27.6 34 34 A P - 0 0 9 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.175 30.1-114.1 -54.9 166.4 61.0 -6.2 25.8 35 35 A T - 0 0 138 4,-0.0 3,-0.5 0, 0.0 2,-0.4 -0.935 57.0 -53.3-112.6 104.3 59.2 -9.4 25.1 36 36 A G S > S+ 0 0 49 -2,-0.5 3,-3.4 1,-0.2 0, 0.0 -0.568 119.0 38.4 86.0-124.7 58.7 -10.9 21.6 37 37 A A T 3 S+ 0 0 74 -2,-0.4 -1,-0.2 1,-0.3 56,-0.1 0.782 122.3 44.2 -28.3 -57.3 57.0 -8.7 18.8 38 38 A A T 3 S+ 0 0 15 -3,-0.5 11,-2.7 10,-0.1 2,-0.4 0.360 104.0 85.6 -74.6 3.4 58.8 -5.6 19.9 39 39 A Y B < +g 49 0B 63 -3,-3.4 2,-0.4 9,-0.2 11,-0.2 -0.917 41.0 176.4-131.4 135.4 62.3 -7.1 20.4 40 40 A D > - 0 0 29 9,-2.9 3,-0.9 -2,-0.4 -3,-0.0 -0.899 6.2-173.4-133.5 110.3 65.4 -8.0 18.5 41 41 A A T 3 S+ 0 0 57 -2,-0.4 -1,-0.2 1,-0.3 9,-0.0 0.952 93.8 44.1 -61.5 -47.6 68.4 -9.5 20.3 42 42 A T T 3 S- 0 0 101 1,-0.1 -1,-0.3 335,-0.0 335,-0.1 0.431 100.1-139.7 -76.5 -10.4 70.5 -9.3 17.2 43 43 A a < + 0 0 9 -3,-0.9 334,-0.4 6,-0.2 3,-0.2 0.874 60.4 131.5 44.9 48.2 69.3 -5.8 16.4 44 44 A S + 0 0 92 1,-0.2 2,-1.0 332,-0.1 -1,-0.1 0.692 63.3 61.0 -93.1 -29.7 69.1 -6.6 12.7 45 45 A N S > S- 0 0 64 1,-0.1 3,-1.9 4,-0.1 -1,-0.2 -0.835 73.1-168.3-106.2 95.4 65.6 -5.2 12.4 46 46 A L T 3 S+ 0 0 19 -2,-1.0 -1,-0.1 1,-0.3 4,-0.1 0.447 78.6 68.6 -63.6 -10.8 66.2 -1.6 13.4 47 47 A K T 3 S+ 0 0 43 46,-0.1 48,-2.3 2,-0.1 50,-0.3 0.545 95.0 71.8 -82.2 -10.9 62.5 -0.8 13.7 48 48 A L S < S- 0 0 17 -3,-1.9 2,-0.3 46,-0.2 -9,-0.2 -0.428 99.7 -89.6 -96.3 167.0 62.4 -3.2 16.8 49 49 A Y B -g 39 0B 6 -11,-2.7 -9,-2.9 -2,-0.1 -6,-0.2 -0.601 28.8-163.3 -74.8 144.1 63.9 -2.6 20.2 50 50 A a - 0 0 0 -2,-0.3 -23,-0.1 -11,-0.2 -1,-0.1 0.288 44.0-108.6-108.2 2.6 67.5 -3.8 20.5 51 51 A G + 0 0 1 1,-0.2 -22,-0.2 -25,-0.1 -27,-0.1 0.424 63.4 150.0 89.1 -2.2 67.5 -3.9 24.3 52 52 A G + 0 0 2 -29,-1.4 -25,-0.3 -25,-0.1 2,-0.3 -0.402 19.9 156.7 -67.9 149.7 69.9 -0.9 25.0 53 53 A D >> - 0 0 1 -27,-1.7 3,-1.4 -31,-0.1 4,-1.1 -0.954 52.9 -74.3-162.6 175.5 69.3 1.0 28.3 54 54 A W H 3> S+ 0 0 0 58,-1.6 4,-2.1 1,-0.3 3,-0.3 0.847 120.1 55.4 -53.5 -43.5 70.4 3.3 31.2 55 55 A Q H 3> S+ 0 0 51 57,-0.5 4,-2.7 1,-0.2 -1,-0.3 0.816 103.6 62.0 -56.3 -29.5 72.5 0.7 33.1 56 56 A G H <> S+ 0 0 0 -3,-1.4 4,-2.0 -30,-0.3 -2,-0.2 0.929 106.0 40.9 -60.6 -46.6 74.4 0.3 29.7 57 57 A L H X S+ 0 0 1 -4,-1.1 4,-2.5 -3,-0.3 5,-0.2 0.849 113.2 57.1 -69.4 -35.9 75.5 3.9 29.7 58 58 A I H X S+ 0 0 5 -4,-2.1 4,-2.3 2,-0.2 3,-0.5 0.985 105.8 48.2 -59.4 -57.4 76.3 3.6 33.4 59 59 A N H X S+ 0 0 61 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.891 113.0 50.0 -46.8 -53.2 78.6 0.7 32.9 60 60 A K H <>S+ 0 0 19 -4,-2.0 5,-2.2 2,-0.2 6,-0.4 0.821 107.8 51.0 -59.2 -38.8 80.3 2.8 30.0 61 61 A I H ><5S+ 0 0 0 -4,-2.5 3,-0.9 -3,-0.5 -1,-0.2 0.879 112.6 50.6 -60.2 -39.6 80.8 6.0 32.2 62 62 A N H 3<5S+ 0 0 83 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.902 105.9 51.0 -72.5 -39.2 82.4 3.7 34.8 63 63 A D T 3<5S- 0 0 73 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.1 0.134 116.5-112.9 -88.2 25.5 84.9 1.9 32.5 64 64 A N T <>5S+ 0 0 67 -3,-0.9 4,-0.9 -5,-0.1 -3,-0.2 0.788 73.9 135.0 53.3 40.4 86.0 5.2 31.3 65 65 A Y H >>S+ 0 0 0 -6,-0.4 5,-1.0 1,-0.2 4,-1.0 0.862 118.4 49.3 -65.3 -39.4 83.3 8.8 27.6 67 67 A S H 45S+ 0 0 48 2,-0.2 -1,-0.2 1,-0.2 3,-0.2 0.900 110.2 50.9 -71.7 -38.7 86.0 10.2 29.8 68 68 A D H <5S+ 0 0 77 -4,-0.9 -2,-0.2 1,-0.2 -1,-0.2 0.834 111.8 47.5 -68.3 -34.7 88.7 8.7 27.6 69 69 A L H <5S- 0 0 1 -4,-1.8 -1,-0.2 2,-0.1 -2,-0.2 0.658 111.2-128.4 -72.7 -23.8 87.0 10.1 24.5 70 70 A G T <5 + 0 0 16 -4,-1.0 -3,-0.2 1,-0.3 -4,-0.1 0.411 55.7 147.9 90.6 -3.5 86.8 13.4 26.3 71 71 A V < - 0 0 2 -5,-1.0 -1,-0.3 1,-0.1 -54,-0.1 -0.379 29.3-165.8 -61.6 135.8 83.0 14.0 25.7 72 72 A T + 0 0 31 -56,-1.4 59,-2.3 1,-0.1 2,-0.3 0.380 62.1 36.1-113.0 12.7 81.7 15.9 28.7 73 73 A A E -ac 17 131A 0 -57,-1.1 -55,-2.3 57,-0.3 2,-0.4 -0.973 63.9-145.1-156.1 155.2 78.0 15.6 28.4 74 74 A L E -ac 18 132A 0 57,-2.1 59,-2.3 -2,-0.3 2,-0.8 -0.992 2.9-156.5-131.8 133.7 75.5 12.9 27.1 75 75 A W E -ac 19 133A 7 -57,-3.3 -55,-1.5 -2,-0.4 59,-0.2 -0.846 23.1-172.3-110.2 105.8 72.2 13.6 25.3 76 76 A I - 0 0 1 57,-1.9 59,-0.5 -2,-0.8 -55,-0.2 -0.496 29.9 -84.0 -92.7 166.7 69.9 10.6 25.8 77 77 A S - 0 0 7 -57,-0.4 22,-0.1 1,-0.2 -1,-0.1 -0.160 63.1 -77.5 -57.0 148.3 66.5 9.7 24.2 78 78 A Q - 0 0 0 20,-0.4 -1,-0.2 56,-0.2 58,-0.1 -0.439 48.7-152.5 -52.5 127.3 63.3 11.2 25.7 79 79 A P + 0 0 0 0, 0.0 30,-2.4 0, 0.0 33,-0.1 0.381 49.2 116.2 -92.0 -3.6 62.9 9.0 28.9 80 80 A V E S-H 108 0C 0 28,-0.3 28,-0.3 19,-0.2 25,-0.2 -0.297 81.1 -81.6 -78.5 159.0 59.1 9.0 29.5 81 81 A E E -H 104 0C 22 23,-1.2 22,-2.8 26,-0.6 23,-1.6 -0.336 55.0-164.7 -61.3 115.6 56.8 6.0 29.3 82 82 A N E -H 102 0C 2 20,-0.3 20,-0.3 1,-0.2 21,-0.1 -0.621 34.6 -70.6 -92.3 164.4 56.0 5.6 25.6 83 83 A I - 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0 0 2 -48,-2.3 3,-0.3 -2,-0.4 -9,-0.1 -0.794 33.1-113.1-107.9 166.9 58.2 -0.1 17.9 96 96 A A > + 0 0 2 -13,-0.3 3,-2.2 -2,-0.3 5,-0.3 0.162 67.6 136.2 -89.5 35.9 58.5 3.1 20.0 97 97 A Y T 3 + 0 0 4 -50,-0.3 -74,-0.4 1,-0.3 -1,-0.2 0.580 58.9 65.6 -47.9 -26.3 62.2 2.4 20.5 98 98 A H T 3 S- 0 0 14 -3,-0.3 -20,-0.4 -76,-0.1 -1,-0.3 0.331 106.0-119.9 -89.7 -0.1 63.2 6.0 19.8 99 99 A G S < S+ 0 0 0 -3,-2.2 -19,-0.2 -22,-0.1 -2,-0.1 0.674 84.0 104.8 68.8 26.6 61.5 7.4 22.8 100 100 A Y + 0 0 33 -4,-0.3 2,-1.5 1,-0.1 40,-0.1 0.549 55.2 74.6-110.7 -12.0 59.1 9.8 20.9 101 101 A W S S- 0 0 24 -5,-0.3 -18,-2.4 -18,-0.1 41,-0.2 -0.509 75.9-176.5 -99.9 61.8 55.7 8.2 21.0 102 102 A A E +H 82 0C 0 -2,-1.5 -20,-0.3 39,-0.6 -19,-0.1 -0.066 27.2 174.0 -55.7 161.0 55.2 9.1 24.6 103 103 A R E S+ 0 0 39 -22,-2.8 55,-2.4 1,-0.1 -21,-0.2 0.389 75.4 24.6-146.2 -6.5 52.1 8.2 26.7 104 104 A D E > -H 81 0C 0 -23,-1.6 3,-1.2 53,-0.2 -23,-1.2 -0.667 53.8-173.3-164.0 105.4 53.0 9.4 30.3 105 105 A F E 3 S+ 0 0 0 53,-0.4 54,-0.1 1,-0.3 -23,-0.0 0.579 85.2 63.2 -75.5 -16.4 55.5 12.2 30.8 106 106 A K E 3 S+ 0 0 35 52,-0.3 -1,-0.3 -25,-0.1 2,-0.3 0.116 102.3 54.6 -91.4 14.7 55.4 11.8 34.5 107 107 A K E < S- 0 0 62 -3,-1.2 -26,-0.6 -26,-0.1 2,-0.2 -0.885 82.3-104.2-139.5 171.2 56.9 8.2 34.4 108 108 A T E -H 80 0C 18 -28,-0.3 -28,-0.3 -2,-0.3 7,-0.1 -0.599 31.9-104.7 -99.2 165.2 60.0 6.4 32.9 109 109 A N >> - 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0 0 0 -5,-1.1 -90,-0.2 1,-0.1 -1,-0.2 -0.217 22.5-154.9 -64.9 149.4 69.0 17.0 34.2 224 224 A D + 0 0 2 -92,-2.7 29,-1.1 1,-0.3 2,-0.3 0.575 67.2 20.1-111.0 -11.5 71.4 19.6 33.1 225 225 A G E -de 133 253A 0 -93,-0.8 -91,-2.1 27,-0.2 2,-0.4 -0.988 59.8-143.2-156.2 158.7 69.9 20.4 29.6 226 226 A I E -de 134 254A 0 27,-2.2 29,-1.9 -2,-0.3 2,-0.8 -0.973 4.4-163.2-130.3 116.1 66.8 20.0 27.6 227 227 A R E -de 135 255A 3 -93,-3.3 -91,-2.4 -2,-0.4 2,-0.3 -0.847 21.2-153.0 -96.6 108.0 66.7 19.2 23.8 228 228 A V E -de 136 256A 0 27,-2.4 29,-1.4 -2,-0.8 3,-0.4 -0.488 5.0-135.3 -83.8 136.7 63.3 20.1 22.6 229 229 A A - 0 0 8 -93,-2.7 -90,-0.1 -2,-0.3 -1,-0.1 -0.620 69.7 -3.4 -95.8 153.3 61.6 18.4 19.6 230 230 A A > + 0 0 7 -2,-0.2 3,-2.4 1,-0.1 -1,-0.2 0.697 64.2 165.8 45.9 48.4 59.6 19.8 16.7 231 231 A V G > S+ 0 0 0 26,-1.2 3,-1.7 -3,-0.4 27,-0.2 0.824 72.0 62.1 -68.8 -24.9 59.7 23.4 17.8 232 232 A K G 3 S+ 0 0 57 25,-0.7 -1,-0.3 1,-0.3 26,-0.1 0.779 100.8 57.4 -67.3 -21.5 58.6 24.7 14.4 233 233 A H G < S+ 0 0 28 -3,-2.4 -1,-0.3 -43,-0.1 -2,-0.2 0.340 101.3 62.2 -95.1 11.2 55.4 22.6 15.0 234 234 A M S < S- 0 0 4 -3,-1.7 -43,-0.1 -4,-0.2 -95,-0.1 -0.983 94.9 -94.5-125.7 146.4 54.4 24.4 18.3 235 235 A P > - 0 0 9 0, 0.0 4,-2.3 0, 0.0 5,-0.2 -0.326 23.6-137.9 -55.5 132.9 53.5 28.1 18.9 236 236 A L H > S+ 0 0 48 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.920 102.9 60.7 -58.8 -49.4 56.4 30.4 20.0 237 237 A G H > S+ 0 0 4 401,-0.6 4,-1.9 2,-0.2 -1,-0.2 0.902 108.3 43.2 -37.7 -57.0 54.1 32.1 22.5 238 238 A W H > S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.938 111.1 53.9 -64.2 -47.0 53.5 28.8 24.4 239 239 A Q H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.891 107.3 53.8 -52.7 -33.1 57.2 27.8 24.2 240 240 A K H X S+ 0 0 29 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.948 109.8 43.5 -73.5 -45.6 58.1 31.2 25.8 241 241 A S H X S+ 0 0 1 -4,-1.9 4,-2.7 2,-0.2 343,-0.2 0.946 113.9 51.9 -64.7 -39.2 55.8 30.9 28.9 242 242 A W H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.931 113.5 46.5 -60.4 -43.9 56.8 27.2 29.3 243 243 A M H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.3 5,-0.3 0.930 109.0 51.4 -64.5 -42.5 60.4 28.4 29.2 244 244 A S H X S+ 0 0 2 -4,-2.6 4,-1.9 1,-0.3 -1,-0.2 0.904 108.8 53.2 -69.5 -34.0 60.0 31.3 31.6 245 245 A S H < S+ 0 0 15 -4,-2.7 4,-0.5 2,-0.2 -1,-0.3 0.890 109.6 49.3 -62.6 -44.4 58.4 28.8 34.0 246 246 A I H >X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 3,-2.7 0.985 110.0 48.7 -59.5 -55.0 61.4 26.6 33.7 247 247 A Y H 3< S+ 0 0 18 -4,-2.7 266,-0.4 1,-0.3 -2,-0.2 0.796 106.1 60.2 -55.9 -35.0 64.0 29.5 34.3 248 248 A A T 3< S+ 0 0 41 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.669 120.8 22.9 -50.8 -26.5 62.0 30.6 37.3 249 249 A H T <4 S- 0 0 72 -3,-2.7 -2,-0.2 -4,-0.5 -3,-0.1 0.744 138.9 -4.0-121.9 -58.7 62.6 27.2 38.9 250 250 A K < - 0 0 68 -4,-2.8 2,-0.4 -5,-0.2 -2,-0.1 -0.585 67.8-150.0-149.5 83.7 65.6 25.3 37.6 251 251 A P + 0 0 20 0, 0.0 2,-0.3 0, 0.0 -242,-0.1 -0.407 26.4 166.5 -55.2 105.9 67.4 27.1 34.8 252 252 A V - 0 0 2 -2,-0.4 2,-0.4 -242,-0.1 -27,-0.2 -0.873 46.4 -93.4-114.8 162.5 69.0 24.5 32.5 253 253 A F E -e 225 0A 13 -244,-1.6 -27,-2.2 -29,-1.1 2,-0.5 -0.623 47.1-168.5 -70.0 128.3 70.4 25.2 29.0 254 254 A T E +e 226 0A 2 -2,-0.4 25,-2.1 -29,-0.2 2,-0.3 -0.970 12.2 177.5-131.3 125.1 67.6 24.4 26.5 255 255 A F E -ef 227 279A 0 -29,-1.9 -27,-2.4 -2,-0.5 25,-0.3 -0.955 11.6-158.6-127.4 146.2 68.0 24.1 22.7 256 256 A G E -ef 228 280A 0 23,-2.7 25,-2.2 -2,-0.3 2,-0.6 -0.721 18.2-112.1-118.8 159.9 65.2 23.1 20.2 257 257 A E + 0 0 31 -29,-1.4 -26,-1.2 -2,-0.2 -25,-0.7 -0.955 30.8 167.1-112.8 117.1 65.0 21.7 16.7 258 258 A W - 0 0 9 -2,-0.6 25,-0.3 23,-0.3 2,-0.2 -0.996 38.4-132.3-105.3 101.1 63.8 23.8 13.9 259 259 A F - 0 0 118 -2,-0.5 2,-0.3 23,-0.1 10,-0.1 -0.477 27.3-175.1 -64.3 133.5 64.8 21.8 10.8 260 260 A L - 0 0 15 -2,-0.2 3,-0.1 1,-0.1 -1,-0.0 -0.872 23.2-153.4-127.1 154.5 66.5 23.6 8.1 261 261 A G S S+ 0 0 59 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.412 71.7 16.5-103.5 3.0 67.6 22.5 4.6 262 262 A S S S- 0 0 58 2,-0.2 25,-0.2 1,-0.1 4,-0.1 -0.973 79.7 -94.6-165.8 168.7 70.5 24.8 3.9 263 263 A A S S+ 0 0 34 -2,-0.3 21,-0.1 23,-0.1 -1,-0.1 0.566 84.3 120.1 -68.0 -15.7 73.1 27.3 5.1 264 264 A A S S- 0 0 56 1,-0.1 2,-0.6 45,-0.0 -2,-0.2 -0.141 75.0-110.1 -59.2 141.2 70.7 30.0 4.2 265 265 A S - 0 0 63 19,-0.0 2,-0.5 4,-0.0 -1,-0.1 -0.755 33.3-161.3 -71.0 115.3 69.4 32.3 6.8 266 266 A D > - 0 0 54 -2,-0.6 4,-2.3 1,-0.2 5,-0.1 -0.928 9.4-146.6-104.4 135.2 65.8 31.5 7.4 267 267 A A H > S+ 0 0 64 -2,-0.5 4,-2.9 2,-0.2 5,-0.3 0.950 93.8 47.0 -66.5 -59.8 63.9 34.2 9.1 268 268 A D H > S+ 0 0 74 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.899 114.3 51.9 -53.5 -39.0 61.4 32.4 11.2 269 269 A N H > S+ 0 0 1 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.924 111.9 44.8 -59.1 -51.1 64.2 30.1 12.4 270 270 A T H X S+ 0 0 14 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.968 113.5 49.4 -58.7 -53.0 66.4 33.2 13.4 271 271 A D H X S+ 0 0 70 -4,-2.9 4,-2.0 1,-0.2 5,-0.3 0.891 108.9 55.4 -55.4 -37.9 63.5 35.0 15.1 272 272 A F H >X S+ 0 0 5 -4,-2.4 4,-2.1 -5,-0.3 3,-0.6 0.972 107.6 47.5 -58.0 -56.2 62.8 31.8 17.0 273 273 A A H 3< S+ 0 0 12 -4,-2.2 4,-0.3 1,-0.2 -2,-0.2 0.841 117.1 43.8 -50.2 -41.2 66.4 31.7 18.3 274 274 A N H 3< S+ 0 0 39 -4,-2.3 -1,-0.2 1,-0.1 -2,-0.2 0.783 125.4 26.3 -79.7 -23.1 66.3 35.3 19.4 275 275 A K H << S+ 0 0 75 -4,-2.0 -2,-0.2 -3,-0.6 -3,-0.2 0.580 100.6 75.9-119.6 -15.3 62.8 35.5 21.0 276 276 A S S < S- 0 0 0 -4,-2.1 -33,-0.2 2,-0.3 -3,-0.1 0.725 95.4-117.8 -74.3 -27.4 61.9 32.1 22.3 277 277 A G S S+ 0 0 8 1,-0.4 2,-0.3 -4,-0.3 -23,-0.2 0.552 86.5 86.7 89.7 11.1 64.0 31.9 25.3 278 278 A M - 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