==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-SEP-98 9CGT . COMPND 2 MOLECULE: PROTEIN (CYCLODEXTRIN-GLYCOSYLTRANSFERASE); . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CIRCULANS; . AUTHOR A.K.SCHMIDT,G.E.SCHULZ . 684 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23104.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 430 62.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 123 18.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 10 1.5 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 . 49 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 10.1 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 1 2 1 0 0 3 0 1 0 2 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 3 1 4 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 . 5 4 7 3 2 3 0 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 . 2 2 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 94 0, 0.0 545,-0.1 0, 0.0 543,-0.1 0.000 360.0 360.0 360.0 138.0 82.4 26.8 40.8 2 2 A P > - 0 0 59 0, 0.0 3,-0.5 0, 0.0 5,-0.1 -0.268 360.0-116.5 -67.8 162.1 84.3 27.3 37.6 3 3 A D T 3 S+ 0 0 3 1,-0.2 11,-0.2 515,-0.2 8,-0.1 0.768 119.8 59.0 -63.9 -24.4 82.3 28.0 34.4 4 4 A T T 3 S+ 0 0 43 395,-0.1 -1,-0.2 3,-0.1 396,-0.0 0.708 81.6 107.6 -76.4 -31.3 83.9 24.7 33.4 5 5 A A S X S- 0 0 22 -3,-0.5 3,-1.5 1,-0.1 124,-0.0 -0.026 79.9-116.3 -54.1 156.1 82.5 22.5 36.2 6 6 A V T 3 S+ 0 0 33 1,-0.3 -1,-0.1 120,-0.1 121,-0.0 0.706 109.7 73.7 -66.2 -19.3 79.7 19.9 35.6 7 7 A T T 3 + 0 0 68 1,-0.1 2,-1.6 -5,-0.1 -1,-0.3 0.523 67.7 101.7 -74.2 -5.6 77.5 22.0 37.9 8 8 A N X + 0 0 0 -3,-1.5 3,-0.8 1,-0.2 -1,-0.1 -0.586 39.1 163.6 -84.2 83.4 77.0 24.7 35.2 9 9 A K T 3 + 0 0 42 -2,-1.6 244,-2.3 1,-0.2 -1,-0.2 0.628 67.7 62.3 -74.5 -14.1 73.6 23.8 34.0 10 10 A Q T 3 S+ 0 0 17 242,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.507 103.4 43.7 -92.6 -5.1 73.1 27.1 32.2 11 11 A S < + 0 0 0 -3,-0.8 -1,-0.2 -8,-0.1 3,-0.2 -0.961 40.7 171.0-147.4 127.4 76.0 26.9 29.7 12 12 A F > + 0 0 0 -2,-0.3 3,-1.8 1,-0.1 5,-0.1 0.250 53.3 109.4-113.0 9.1 77.3 24.2 27.4 13 13 A S T 3 S+ 0 0 0 1,-0.3 -1,-0.1 342,-0.1 306,-0.0 0.786 83.5 45.2 -56.2 -31.2 79.7 26.3 25.4 14 14 A T T 3 S+ 0 0 3 -11,-0.2 -1,-0.3 -3,-0.2 2,-0.1 0.421 105.7 85.5 -93.0 0.6 82.7 24.5 27.1 15 15 A D < - 0 0 0 -3,-1.8 2,-0.4 390,-0.1 56,-0.1 -0.414 65.0-143.6 -99.6 172.4 81.1 21.1 26.6 16 16 A V - 0 0 1 -2,-0.1 56,-1.4 339,-0.1 57,-1.0 -0.956 24.6-145.5-135.9 109.3 81.0 18.4 23.9 17 17 A I E -ab 73 357A 0 339,-2.8 341,-2.4 -2,-0.4 2,-0.6 -0.549 4.4-153.7 -80.7 144.7 77.6 16.7 23.7 18 18 A Y E -ab 74 358A 0 55,-1.7 57,-2.1 339,-0.2 2,-0.5 -0.939 12.0-153.3-120.1 102.9 77.3 13.0 22.7 19 19 A Q E +ab 75 359A 6 339,-2.4 341,-3.3 -2,-0.6 2,-0.4 -0.689 21.4 174.9 -80.9 126.1 73.9 12.2 21.2 20 20 A V E -a 76 0A 2 55,-2.7 2,-0.9 -2,-0.5 57,-0.6 -0.986 37.0-134.8-139.3 135.3 72.8 8.7 21.7 21 21 A F > - 0 0 3 -2,-0.4 3,-1.3 1,-0.2 4,-0.4 -0.830 27.4-146.6 -82.6 108.7 69.7 6.6 20.9 22 22 A T G >> S+ 0 0 0 -2,-0.9 3,-1.2 1,-0.3 4,-0.6 0.860 93.9 54.1 -45.6 -45.1 69.4 4.8 24.3 23 23 A D G 34 S+ 0 0 2 74,-0.5 29,-2.3 1,-0.2 -1,-0.3 0.763 109.4 48.0 -63.9 -28.4 68.0 1.6 22.7 24 24 A R G <4 S+ 0 0 1 -3,-1.3 354,-2.2 27,-0.1 -1,-0.2 0.338 102.0 65.0 -98.1 5.8 70.9 1.3 20.2 25 25 A F T <4 S- 0 0 7 -3,-1.2 2,-0.3 -4,-0.4 353,-0.2 0.925 108.4 -25.4 -92.7 -76.7 73.9 1.8 22.6 26 26 A L < - 0 0 49 -4,-0.6 27,-2.1 27,-0.3 2,-1.3 -0.971 42.1-141.2-149.7 128.4 74.3 -0.9 25.2 27 27 A D + 0 0 42 -2,-0.3 25,-0.2 25,-0.3 27,-0.1 -0.721 30.9 165.8 -87.8 89.6 71.9 -3.4 26.9 28 28 A G S S+ 0 0 23 -2,-1.3 -1,-0.2 1,-0.3 24,-0.1 0.615 71.6 35.8 -81.1 -13.5 73.2 -3.3 30.4 29 29 A N > - 0 0 47 22,-0.3 3,-1.0 -3,-0.1 -1,-0.3 -0.843 57.7-178.8-144.4 100.3 70.1 -5.0 31.8 30 30 A P G > S+ 0 0 85 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.619 76.9 78.5 -71.9 -14.4 68.4 -7.7 29.7 31 31 A S G 3 S+ 0 0 111 1,-0.2 -2,-0.0 0, 0.0 0, 0.0 0.704 93.8 47.4 -67.5 -23.6 65.8 -8.1 32.5 32 32 A N G < S+ 0 0 26 -3,-1.0 -1,-0.2 79,-0.1 81,-0.1 0.333 84.7 122.6 -99.8 5.2 64.0 -5.0 31.3 33 33 A N < - 0 0 23 -3,-1.2 6,-0.1 1,-0.1 79,-0.0 -0.364 68.0-110.4 -67.4 143.2 64.0 -5.9 27.6 34 34 A P - 0 0 6 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.291 33.5-132.1 -70.0 163.1 60.5 -6.1 26.0 35 35 A T > + 0 0 127 3,-0.0 3,-0.7 4,-0.0 2,-0.2 -0.786 55.9 12.0-116.9 161.2 59.2 -9.5 24.9 36 36 A G G > S- 0 0 65 -2,-0.3 3,-1.2 1,-0.2 0, 0.0 -0.513 119.2 -12.6 84.9-146.2 57.7 -10.9 21.8 37 37 A A G 3 S+ 0 0 77 1,-0.2 -1,-0.2 -2,-0.2 56,-0.1 0.500 125.0 70.1 -73.3 -7.6 57.5 -9.3 18.4 38 38 A A G < S+ 0 0 17 -3,-0.7 11,-2.5 10,-0.1 2,-0.3 0.569 93.8 67.5 -86.9 -8.6 58.6 -5.9 19.8 39 39 A Y B < -g 49 0B 68 -3,-1.2 2,-0.3 9,-0.2 11,-0.2 -0.802 51.9-175.9-118.0 152.9 62.2 -7.2 20.5 40 40 A D > - 0 0 25 9,-1.6 3,-1.0 -2,-0.3 -3,-0.0 -0.792 7.6-167.9-148.1 100.4 65.1 -8.3 18.4 41 41 A A T 3 S+ 0 0 62 -2,-0.3 -1,-0.1 1,-0.3 9,-0.0 0.833 93.2 48.2 -56.8 -37.3 68.2 -9.7 20.2 42 42 A T T 3 S- 0 0 104 3,-0.0 -1,-0.3 1,-0.0 8,-0.1 0.624 99.5-139.9 -79.4 -16.1 70.4 -9.5 17.0 43 43 A a < + 0 0 12 -3,-1.0 334,-0.4 6,-0.2 3,-0.1 0.929 60.9 129.3 54.9 51.4 69.2 -5.9 16.3 44 44 A S + 0 0 88 1,-0.2 2,-1.1 332,-0.1 -1,-0.1 0.701 58.9 64.8-101.9 -31.7 68.9 -6.5 12.6 45 45 A N S > S- 0 0 59 1,-0.1 3,-2.0 4,-0.1 -1,-0.2 -0.811 73.2-164.5 -94.8 94.0 65.3 -5.1 12.2 46 46 A L T 3 S+ 0 0 23 -2,-1.1 -1,-0.1 1,-0.3 4,-0.1 0.351 79.0 68.5 -63.2 2.9 66.0 -1.4 13.2 47 47 A K T 3 S+ 0 0 46 46,-0.1 48,-1.6 2,-0.1 50,-0.3 0.492 94.4 68.3 -97.7 -8.9 62.3 -0.7 13.7 48 48 A L S < S- 0 0 14 -3,-2.0 2,-0.2 46,-0.2 -9,-0.2 -0.554 98.5 -81.5-104.6 172.0 62.1 -2.9 16.8 49 49 A Y B -g 39 0B 7 -11,-2.5 -9,-1.6 -2,-0.2 -6,-0.2 -0.505 31.1-170.6 -73.6 138.6 63.7 -2.6 20.3 50 50 A a - 0 0 4 -2,-0.2 -1,-0.1 -11,-0.2 -23,-0.1 0.471 46.5-109.2-107.0 -8.2 67.3 -3.8 20.5 51 51 A G + 0 0 2 1,-0.3 -22,-0.3 -19,-0.1 -27,-0.1 0.218 60.4 153.1 103.0 -15.3 67.4 -3.6 24.3 52 52 A G + 0 0 3 -29,-2.3 -25,-0.3 -25,-0.2 -1,-0.3 -0.164 19.8 164.9 -50.8 140.2 69.7 -0.7 25.0 53 53 A D > - 0 0 1 -27,-2.1 4,-1.2 -30,-0.1 -27,-0.3 -0.823 52.0 -86.1-147.1-176.1 69.0 1.0 28.4 54 54 A W H > S+ 0 0 0 58,-2.6 4,-2.1 -2,-0.2 59,-0.1 0.773 120.0 61.3 -69.7 -28.0 70.3 3.4 31.1 55 55 A Q H > S+ 0 0 52 57,-0.5 4,-2.6 1,-0.2 -1,-0.2 0.889 101.9 53.9 -65.6 -36.2 72.2 0.6 32.8 56 56 A G H > S+ 0 0 0 -30,-0.5 4,-1.9 -3,-0.2 -1,-0.2 0.898 107.7 48.5 -63.6 -41.6 74.3 0.3 29.6 57 57 A L H X S+ 0 0 0 -4,-1.2 4,-1.1 -31,-0.2 -1,-0.2 0.903 110.5 52.7 -64.4 -40.6 75.1 4.0 29.6 58 58 A I H >X S+ 0 0 3 -4,-2.1 4,-2.5 1,-0.2 3,-0.7 0.935 106.6 52.9 -60.0 -46.8 76.1 3.7 33.3 59 59 A N H 3X S+ 0 0 61 -4,-2.6 4,-1.8 1,-0.3 -1,-0.2 0.896 109.6 47.6 -56.4 -44.9 78.4 0.8 32.5 60 60 A K H 3<>S+ 0 0 27 -4,-1.9 5,-2.1 2,-0.2 6,-1.0 0.662 110.2 52.6 -73.3 -18.1 80.2 2.8 29.8 61 61 A I H X<5S+ 0 0 0 -4,-1.1 3,-1.4 -3,-0.7 6,-0.2 0.911 111.0 47.5 -78.9 -45.6 80.6 5.8 32.1 62 62 A N H 3<5S+ 0 0 86 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.1 0.796 109.4 51.3 -65.8 -33.5 82.2 3.6 34.8 63 63 A D T 3<5S- 0 0 74 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.1 0.154 116.2-115.3 -92.1 21.6 84.6 1.9 32.5 64 64 A N T <>5S+ 0 0 62 -3,-1.4 4,-1.9 -5,-0.1 5,-0.2 0.686 71.6 136.2 55.8 32.4 85.7 5.3 31.2 65 65 A Y H >>S+ 0 0 0 -6,-1.0 4,-1.8 2,-0.2 5,-1.0 0.832 116.3 52.3 -70.2 -35.9 83.2 8.6 27.6 67 67 A S H 45S+ 0 0 46 -6,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.894 111.4 46.1 -68.7 -40.8 85.9 10.1 29.7 68 68 A D H <5S+ 0 0 82 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.861 112.2 52.2 -69.4 -33.7 88.6 8.7 27.4 69 69 A L H <5S- 0 0 0 -4,-1.6 326,-0.2 -5,-0.2 -2,-0.2 0.834 110.7-126.2 -70.4 -33.3 86.7 9.9 24.4 70 70 A G T <5 + 0 0 12 -4,-1.8 -3,-0.2 1,-0.3 2,-0.2 0.374 56.8 144.4 104.5 -4.8 86.5 13.4 25.9 71 71 A V < - 0 0 3 -5,-1.0 -1,-0.3 1,-0.1 -54,-0.2 -0.466 28.9-170.1 -71.1 138.0 82.7 14.0 25.8 72 72 A T + 0 0 25 -56,-1.4 59,-2.4 -2,-0.2 2,-0.3 0.223 64.8 40.9-113.4 12.5 81.4 16.0 28.8 73 73 A A E -ac 17 131A 0 -57,-1.0 -55,-1.7 57,-0.3 2,-0.5 -0.976 61.9-146.3-160.1 144.8 77.6 15.6 28.2 74 74 A L E -ac 18 132A 0 57,-3.0 59,-3.6 -2,-0.3 2,-0.7 -0.971 4.3-162.9-118.7 124.3 75.1 12.9 27.2 75 75 A W E -ac 19 133A 3 -57,-2.1 -55,-2.7 -2,-0.5 2,-0.2 -0.927 24.4-174.6-105.9 107.7 72.0 13.7 25.2 76 76 A I E -ac 20 134A 1 57,-2.4 59,-1.0 -2,-0.7 -55,-0.2 -0.646 29.1 -85.5-103.6 164.2 69.7 10.7 25.6 77 77 A S - 0 0 3 -57,-0.6 58,-0.3 -2,-0.2 -1,-0.2 -0.073 68.9 -67.3 -58.6 164.5 66.3 9.7 24.1 78 78 A Q - 0 0 0 20,-0.6 -1,-0.2 56,-0.2 58,-0.1 -0.369 46.2-153.0 -58.6 123.9 63.1 11.0 25.7 79 79 A P + 0 0 0 0, 0.0 30,-1.8 0, 0.0 -1,-0.2 0.591 57.6 107.0 -76.9 -12.4 63.0 9.2 29.1 80 80 A V E S-H 108 0C 0 28,-0.2 28,-0.3 19,-0.2 2,-0.2 -0.215 84.0 -84.1 -70.9 158.8 59.2 9.3 29.5 81 81 A E E -H 104 0C 18 26,-1.8 22,-2.8 23,-1.4 23,-1.9 -0.428 48.5-162.2 -64.6 125.2 56.9 6.3 29.1 82 82 A N E -H 102 0C 1 20,-0.3 20,-0.3 -2,-0.2 60,-0.1 -0.513 33.5 -72.3-100.8 173.0 56.0 5.6 25.5 83 83 A I - 0 0 4 18,-2.1 13,-0.3 -2,-0.2 -1,-0.2 -0.290 31.7-151.9 -65.4 150.9 53.1 3.5 24.1 84 84 A F + 0 0 77 11,-0.1 -1,-0.1 -3,-0.1 12,-0.1 0.740 63.6 101.4 -94.5 -28.4 53.4 -0.3 24.5 85 85 A A - 0 0 31 1,-0.1 2,-0.3 10,-0.1 11,-0.2 -0.118 69.9-128.3 -59.1 151.1 51.4 -1.2 21.4 86 86 A T - 0 0 65 66,-0.1 2,-0.4 9,-0.1 66,-0.3 -0.769 20.6-146.8-100.1 143.1 53.1 -2.3 18.2 87 87 A I E -K 94 0D 3 7,-2.4 7,-3.5 -2,-0.3 2,-0.7 -0.952 2.3-147.2-118.0 139.8 52.1 -0.5 15.0 88 88 A N E -K 93 0D 94 -2,-0.4 2,-0.8 5,-0.2 5,-0.2 -0.897 14.0-175.2-108.6 106.5 51.9 -2.0 11.5 89 89 A Y E > S-K 92 0D 64 3,-2.6 3,-1.5 -2,-0.7 -2,-0.0 -0.867 74.3 -35.1-104.4 101.8 52.8 0.5 8.7 90 90 A S T 3 S- 0 0 132 -2,-0.8 -1,-0.2 1,-0.3 2,-0.2 0.938 125.4 -41.7 52.2 54.4 52.3 -1.2 5.3 91 91 A G T 3 S+ 0 0 61 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 -0.062 117.2 106.7 89.4 -34.9 53.4 -4.6 6.5 92 92 A V E < -K 89 0D 63 -3,-1.5 -3,-2.6 -2,-0.2 2,-0.4 -0.655 67.4-128.1 -87.8 132.3 56.4 -3.5 8.6 93 93 A T E -K 88 0D 36 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.643 25.3-165.6 -79.8 128.8 56.2 -3.6 12.4 94 94 A N E -K 87 0D 11 -7,-3.5 -7,-2.4 -2,-0.4 2,-0.3 -0.905 6.3-173.8-117.6 143.3 57.1 -0.4 14.3 95 95 A T - 0 0 4 -48,-1.6 3,-0.4 -2,-0.4 -9,-0.1 -0.791 38.4-109.3-126.2 170.5 57.9 0.2 18.0 96 96 A A > + 0 0 2 -13,-0.3 3,-1.8 -2,-0.3 5,-0.2 -0.104 67.8 133.5 -93.1 37.4 58.5 3.3 20.1 97 97 A Y T 3 + 0 0 3 -50,-0.3 -74,-0.5 1,-0.3 -1,-0.2 0.765 68.0 60.0 -56.4 -29.0 62.2 2.5 20.5 98 98 A H T 3 S- 0 0 16 -3,-0.4 -20,-0.6 -76,-0.1 -1,-0.3 0.632 105.0-128.9 -74.9 -18.7 63.0 6.1 19.6 99 99 A G S < S+ 0 0 0 -3,-1.8 3,-0.2 -22,-0.1 -19,-0.2 0.464 77.0 113.9 83.1 3.5 61.0 7.5 22.6 100 100 A Y + 0 0 26 1,-0.2 2,-0.6 36,-0.1 40,-0.1 0.460 57.3 75.7 -85.8 -4.3 59.0 9.9 20.5 101 101 A W S S- 0 0 23 -5,-0.2 -18,-2.1 -18,-0.1 -1,-0.2 -0.525 71.9-179.5-107.3 65.1 55.6 8.2 21.1 102 102 A A E +H 82 0C 0 -2,-0.6 -20,-0.3 39,-0.6 3,-0.1 -0.197 24.7 167.5 -65.6 151.3 55.0 9.3 24.6 103 103 A R E S+ 0 0 42 -22,-2.8 55,-2.9 1,-0.2 2,-0.3 0.459 76.8 27.1-134.7 -23.9 51.9 8.4 26.6 104 104 A D E > -Hi 81 158C 0 -23,-1.9 -23,-1.4 53,-0.2 3,-1.0 -0.855 55.2-173.4-147.2 107.1 52.9 9.4 30.1 105 105 A F E 3 S+ 0 0 0 53,-0.5 54,-0.1 -2,-0.3 -1,-0.1 0.477 84.8 60.2 -79.0 -1.7 55.4 12.3 30.7 106 106 A K E 3 S+ 0 0 35 52,-0.3 2,-0.3 -25,-0.1 -1,-0.2 0.370 99.6 59.2-107.3 4.4 55.5 11.6 34.5 107 107 A K E < S- 0 0 76 -3,-1.0 -26,-1.8 -26,-0.1 -3,-0.1 -0.904 83.4-112.1-128.1 156.3 56.7 8.0 34.4 108 108 A T E -H 80 0C 15 -2,-0.3 -28,-0.2 -28,-0.3 -27,-0.1 -0.375 35.6 -98.1 -84.7 165.8 59.9 6.5 32.9 109 109 A N >> - 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0 0 0 -56,-2.2 -57,-1.3 -2,-0.3 2,-0.4 -0.447 33.9-137.8 -62.8 111.6 48.0 13.3 17.9 199 199 A D E -L 140 0E 1 -2,-0.5 -23,-2.9 -23,-0.4 -59,-0.2 -0.578 12.6-128.1 -79.0 125.1 48.7 17.1 18.1 200 200 A F B -N 175 0F 0 -61,-2.5 2,-0.9 -2,-0.4 -25,-0.3 -0.377 5.8-139.3 -71.6 146.2 48.3 18.7 21.5 201 201 A N > - 0 0 26 -27,-2.7 3,-1.6 1,-0.1 6,-0.3 -0.876 19.5-176.3-105.7 93.0 46.2 21.8 22.0 202 202 A H T 3 S+ 0 0 9 -2,-0.9 -1,-0.1 1,-0.3 384,-0.1 0.482 75.1 75.5 -70.6 -4.3 48.4 23.8 24.4 203 203 A N T 3 S+ 0 0 28 473,-0.1 2,-0.4 4,-0.1 -1,-0.3 0.682 74.9 97.1 -77.7 -18.2 45.7 26.5 24.6 204 204 A N S <> S- 0 0 27 -3,-1.6 4,-2.1 1,-0.1 3,-0.3 -0.596 77.9-139.4 -72.7 126.3 43.8 24.1 26.8 205 205 A A H > S+ 0 0 53 -2,-0.4 4,-2.2 1,-0.2 5,-0.2 0.795 100.2 54.3 -56.4 -34.8 44.5 25.0 30.4 206 206 A T H > S+ 0 0 68 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.895 110.0 45.6 -67.7 -43.0 44.9 21.4 31.5 207 207 A I H > S+ 0 0 0 -3,-0.3 4,-1.9 -6,-0.3 -2,-0.2 0.848 111.7 52.7 -68.7 -37.1 47.6 20.6 28.8 208 208 A D H X S+ 0 0 3 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.962 113.3 43.3 -62.3 -51.2 49.4 23.8 29.7 209 209 A K H X S+ 0 0 125 -4,-2.2 4,-3.0 1,-0.2 3,-0.3 0.923 109.4 59.2 -59.6 -46.6 49.6 22.9 33.4 210 210 A Y H X S+ 0 0 9 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.884 107.8 43.7 -51.2 -48.1 50.5 19.3 32.5 211 211 A F H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.792 112.7 50.6 -73.3 -28.7 53.7 20.2 30.7 212 212 A K H X S+ 0 0 25 -4,-1.5 4,-1.6 -3,-0.3 -2,-0.2 0.933 116.9 42.3 -72.3 -41.8 54.8 22.8 33.2 213 213 A D H X S+ 0 0 56 -4,-3.0 4,-1.2 1,-0.2 -2,-0.2 0.905 114.0 52.2 -68.6 -41.2 54.3 20.2 35.9 214 214 A A H X S+ 0 0 0 -4,-2.9 4,-1.0 -5,-0.3 -1,-0.2 0.856 109.2 47.4 -65.4 -39.4 55.8 17.4 33.9 215 215 A I H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.874 105.5 59.5 -72.2 -33.6 59.0 19.2 33.0 216 216 A K H X S+ 0 0 54 -4,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.853 99.4 60.4 -60.5 -35.1 59.6 20.3 36.7 217 217 A L H X S+ 0 0 58 -4,-1.2 4,-0.6 1,-0.2 -1,-0.2 0.942 109.0 39.8 -57.6 -51.2 59.6 16.6 37.6 218 218 A W H <>S+ 0 0 0 -4,-1.0 5,-1.4 1,-0.2 3,-0.4 0.834 113.6 54.3 -70.1 -33.8 62.6 15.9 35.4 219 219 A L H ><5S+ 0 0 3 -4,-2.1 3,-1.8 1,-0.2 -1,-0.2 0.918 105.1 55.1 -65.0 -42.0 64.4 19.1 36.4 220 220 A D H 3<5S+ 0 0 90 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.694 100.0 61.2 -63.7 -21.0 64.0 18.1 40.0 221 221 A M T 3<5S- 0 0 32 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.2 0.502 125.2 -98.1 -85.4 -4.1 65.8 14.9 39.3 222 222 A G T < 5 + 0 0 16 -3,-1.8 -90,-0.3 -4,-0.2 -3,-0.2 0.592 60.3 164.2 102.8 11.8 68.9 16.7 38.2 223 223 A V < - 0 0 1 -5,-1.4 -1,-0.2 1,-0.1 -90,-0.2 -0.337 24.3-156.5 -62.8 143.8 68.8 16.9 34.4 224 224 A D + 0 0 1 -92,-2.7 29,-1.1 1,-0.2 2,-0.3 0.567 65.4 9.7 -99.5 -12.3 71.2 19.5 33.0 225 225 A G E -de 133 253A 0 -93,-1.2 -91,-2.1 27,-0.2 2,-0.4 -0.990 58.1-139.5-161.9 163.5 69.7 20.4 29.7 226 226 A I E -de 134 254A 0 27,-2.4 29,-2.2 -2,-0.3 2,-0.6 -0.997 1.0-161.2-135.5 131.9 66.7 19.9 27.4 227 227 A R E -de 135 255A 0 -93,-2.8 -91,-2.3 -2,-0.4 2,-0.5 -0.953 22.0-149.3-109.9 108.4 66.4 19.3 23.7 228 228 A V E > -de 136 256A 0 27,-2.5 29,-1.8 -2,-0.6 3,-0.5 -0.687 11.2-134.5 -84.6 126.7 62.9 20.2 22.6 229 229 A D T 3 S- 0 0 26 -93,-2.8 -90,-0.2 -2,-0.5 4,-0.1 -0.533 74.4 -2.5 -81.8 144.1 61.5 18.2 19.7 230 230 A A T > + 0 0 10 -2,-0.2 3,-2.4 1,-0.1 -1,-0.2 0.779 65.9 166.7 46.9 47.6 59.6 19.8 16.8 231 231 A V G X S+ 0 0 0 26,-0.6 3,-1.1 -3,-0.5 27,-0.2 0.758 72.5 66.0 -60.4 -23.2 59.7 23.4 18.0 232 232 A K G 3 S+ 0 0 72 25,-0.8 -1,-0.3 1,-0.2 26,-0.1 0.618 98.0 56.3 -73.3 -10.6 58.6 24.6 14.5 233 233 A H G < S+ 0 0 29 -3,-2.4 -1,-0.2 -4,-0.1 -2,-0.2 0.228 98.8 63.5-109.9 14.8 55.3 22.8 15.1 234 234 A M S < S- 0 0 4 -3,-1.1 -43,-0.1 -4,-0.1 -95,-0.1 -0.950 96.7 -87.2-133.3 152.7 54.2 24.5 18.3 235 235 A P > - 0 0 11 0, 0.0 4,-2.0 0, 0.0 5,-0.2 -0.338 26.9-138.7 -62.2 136.5 53.3 28.2 18.9 236 236 A L H > S+ 0 0 46 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.902 102.7 58.8 -60.3 -39.8 56.3 30.3 19.8 237 237 A G H > S+ 0 0 5 401,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.920 106.9 43.0 -55.7 -52.5 54.1 32.1 22.3 238 238 A W H > S+ 0 0 2 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.909 114.4 51.8 -62.3 -42.8 53.3 29.0 24.3 239 239 A Q H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.870 109.1 49.7 -61.4 -38.2 56.9 27.8 24.1 240 240 A K H X S+ 0 0 32 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.907 112.2 48.1 -66.3 -42.7 58.2 31.1 25.4 241 241 A S H X S+ 0 0 1 -4,-2.1 4,-1.3 2,-0.2 343,-0.2 0.915 113.6 47.1 -62.4 -45.1 55.6 31.0 28.3 242 242 A W H X S+ 0 0 0 -4,-2.8 4,-1.3 1,-0.2 3,-0.3 0.921 110.7 53.5 -62.4 -45.3 56.7 27.4 29.0 243 243 A M H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.864 105.4 52.7 -58.5 -40.9 60.4 28.4 28.9 244 244 A S H X S+ 0 0 10 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.830 105.4 54.4 -67.7 -31.3 59.9 31.2 31.4 245 245 A S H X S+ 0 0 19 -4,-1.3 4,-0.6 -3,-0.3 -1,-0.2 0.816 109.6 48.7 -70.6 -30.2 58.3 28.8 33.9 246 246 A I H >X S+ 0 0 0 -4,-1.3 4,-2.4 2,-0.2 3,-0.7 0.917 111.2 48.3 -72.3 -46.3 61.4 26.6 33.6 247 247 A Y H 3< S+ 0 0 13 -4,-2.2 266,-0.3 1,-0.2 -2,-0.2 0.732 109.3 53.7 -67.0 -24.8 63.8 29.5 34.1 248 248 A A H 3< S+ 0 0 39 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.665 119.9 34.1 -82.6 -17.7 61.9 30.7 37.1 249 249 A H H << S- 0 0 71 -3,-0.7 -2,-0.2 -4,-0.6 -3,-0.2 0.880 139.7 -18.0 -99.7 -65.7 62.2 27.2 38.7 250 250 A K < - 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0 0 0 -4,-2.3 4,-1.2 -5,-0.2 3,-1.0 -0.924 58.5-166.6-120.4 110.3 91.0 27.5 26.1 402 402 A P H 3>>S+ 0 0 7 0, 0.0 4,-2.9 0, 0.0 5,-0.8 0.685 85.3 71.6 -65.6 -18.2 88.3 30.2 26.4 403 403 A A H 3>5S+ 0 0 0 3,-0.2 4,-0.9 1,-0.2 21,-0.3 0.893 102.5 42.3 -64.1 -39.7 89.0 31.3 22.8 404 404 A I H <45S+ 0 0 0 -3,-1.0 -1,-0.2 -7,-0.3 -6,-0.1 0.863 120.4 41.5 -75.9 -35.2 87.4 28.1 21.6 405 405 A A H <5S+ 0 0 0 -4,-1.2 -51,-0.3 -8,-0.3 -2,-0.2 0.855 137.1 8.2 -81.7 -37.9 84.4 28.2 24.0 406 406 A Y H <5S+ 0 0 12 -4,-2.9 -3,-0.2 -5,-0.1 -2,-0.2 0.496 98.3 121.2-122.2 -10.6 83.5 31.9 23.9 407 407 A G << - 0 0 4 -4,-0.9 18,-0.2 -5,-0.8 2,-0.1 0.018 57.9-117.8 -64.0 162.6 85.7 33.4 21.1 408 408 A S E -R 424 0I 74 16,-2.1 16,-1.1 -55,-0.1 2,-0.4 -0.342 30.5-122.5 -84.1 174.0 84.8 35.3 18.0 409 409 A T E +R 423 0I 34 14,-0.2 2,-0.4 -2,-0.1 14,-0.2 -0.984 28.0 176.8-128.6 132.8 85.8 33.9 14.6 410 410 A Q E -R 422 0I 97 12,-2.0 12,-2.7 -2,-0.4 2,-0.3 -0.994 28.6-125.1-138.8 131.8 88.0 35.5 11.9 411 411 A Q E +R 421 0I 80 -2,-0.4 10,-0.2 10,-0.2 3,-0.1 -0.547 29.4 170.9 -72.7 131.1 89.2 34.3 8.5 412 412 A R E + 0 0 62 8,-3.2 36,-0.4 1,-0.4 2,-0.3 0.665 66.7 3.0-112.4 -28.3 93.0 34.5 8.2 413 413 A W E S+R 420 0I 52 7,-1.6 7,-2.9 34,-0.1 -1,-0.4 -0.945 71.1 163.4-160.4 139.1 93.7 32.6 5.0 414 414 A I E +R 419 0I 28 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.998 12.3 148.5-163.7 153.1 91.4 31.0 2.4 415 415 A N - 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0 0 36 -20,-0.3 47,-2.3 1,-0.1 48,-0.2 -0.511 56.7-159.2 -67.9 119.1 92.3 18.5 -0.8 438 438 A L S S+ 0 0 74 -2,-0.5 -1,-0.1 45,-0.2 45,-0.1 0.533 82.9 28.7 -78.2 -8.2 93.2 14.8 -0.4 439 439 A S S S+ 0 0 101 1,-0.2 2,-0.4 43,-0.1 44,-0.2 0.635 107.6 64.8-125.7 -22.6 96.1 14.8 -2.9 440 440 A T - 0 0 82 42,-0.1 44,-0.4 -5,-0.0 -1,-0.2 -0.907 63.5-144.2-115.7 131.8 97.7 18.2 -3.1 441 441 A S - 0 0 65 -2,-0.4 2,-0.5 42,-0.2 41,-0.2 -0.423 20.6-130.6 -81.2 161.9 99.6 20.1 -0.4 442 442 A A E -U 481 0J 17 39,-3.0 39,-3.3 -2,-0.1 2,-0.9 -0.972 2.5-140.6-123.7 126.9 99.3 23.9 -0.1 443 443 A S E -U 480 0J 87 -2,-0.5 2,-0.5 37,-0.2 37,-0.2 -0.737 23.8-158.0 -84.6 107.1 102.1 26.3 0.2 444 444 A I E +U 479 0J 1 35,-2.6 35,-1.6 -2,-0.9 2,-0.3 -0.782 18.1 168.3 -92.7 124.7 100.9 29.0 2.7 445 445 A T + 0 0 73 -2,-0.5 32,-0.1 33,-0.2 -2,-0.0 -0.975 56.8 23.4-134.9 147.3 102.6 32.4 2.6 446 446 A G S S+ 0 0 69 -2,-0.3 2,-0.5 30,-0.3 -1,-0.1 0.751 73.0 167.3 73.0 25.9 101.8 35.7 4.3 447 447 A L - 0 0 4 29,-0.4 29,-2.8 -3,-0.1 2,-0.4 -0.620 13.2-170.2 -77.7 122.3 99.7 34.2 7.1 448 448 A S B +V 475 0K 57 -2,-0.5 2,-0.2 -36,-0.4 27,-0.2 -0.952 13.1 158.7-118.2 131.1 99.0 36.7 9.8 449 449 A T - 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