==== 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 8CGT . 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) . 23060.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 440 64.3 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 . 123 18.0 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 . 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 . 55 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 15.5 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 0 2 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 . 4 2 4 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, 0.0 543,-0.1 0, 0.0 545,-0.1 0.000 360.0 360.0 360.0 157.2 82.4 26.7 40.8 2 2 A P > - 0 0 61 0, 0.0 3,-2.6 0, 0.0 5,-0.1 -0.396 360.0-108.1 -66.8 149.0 84.4 27.5 37.7 3 3 A D T 3 S+ 0 0 3 1,-0.3 11,-0.2 515,-0.2 8,-0.1 0.675 118.7 60.3 -45.5 -23.2 82.2 28.1 34.6 4 4 A T T 3 S+ 0 0 38 395,-0.1 -1,-0.3 9,-0.1 396,-0.0 0.543 78.9 112.2 -86.6 -13.0 83.6 24.7 33.4 5 5 A A S X S- 0 0 24 -3,-2.6 3,-1.6 1,-0.1 124,-0.0 -0.183 79.8-114.4 -62.6 157.8 82.2 22.5 36.2 6 6 A V T 3 S+ 0 0 32 1,-0.3 -1,-0.1 120,-0.1 -3,-0.0 0.701 110.7 73.3 -64.7 -19.1 79.5 19.9 35.7 7 7 A T T 3 + 0 0 69 -5,-0.1 2,-1.5 1,-0.1 -1,-0.3 0.505 68.1 101.0 -75.8 -4.4 77.3 22.1 38.0 8 8 A N X + 0 0 1 -3,-1.6 3,-0.6 1,-0.2 -1,-0.1 -0.639 38.5 163.2 -86.4 87.2 76.8 24.7 35.3 9 9 A K T 3 + 0 0 52 -2,-1.5 244,-2.5 1,-0.2 -1,-0.2 0.610 67.6 63.2 -78.3 -12.8 73.4 23.9 34.0 10 10 A Q T 3 S+ 0 0 16 242,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.587 103.3 42.5 -90.7 -11.7 73.0 27.3 32.3 11 11 A S < + 0 0 0 -3,-0.6 -1,-0.2 -8,-0.1 3,-0.1 -0.985 41.5 172.3-142.3 131.4 75.8 27.0 29.7 12 12 A F > + 0 0 0 -2,-0.4 3,-1.9 1,-0.1 5,-0.1 0.242 54.2 108.5-115.1 9.8 77.1 24.2 27.5 13 13 A S T 3 S+ 0 0 0 1,-0.3 -1,-0.1 342,-0.1 -9,-0.1 0.822 82.6 46.8 -57.1 -33.8 79.6 26.3 25.5 14 14 A T T 3 S+ 0 0 3 -11,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.393 105.8 85.0 -89.7 3.7 82.5 24.6 27.2 15 15 A D < - 0 0 1 -3,-1.9 2,-0.4 383,-0.1 56,-0.1 -0.477 64.2-145.6-103.9 171.7 80.9 21.1 26.6 16 16 A V - 0 0 1 -2,-0.2 56,-1.6 339,-0.1 57,-1.0 -0.959 24.8-146.2-136.5 110.2 80.8 18.5 23.9 17 17 A I E -ab 73 357A 0 339,-2.8 341,-2.6 -2,-0.4 2,-0.6 -0.585 4.2-152.8 -82.3 145.0 77.5 16.7 23.7 18 18 A Y E -ab 74 358A 0 55,-1.8 57,-2.4 -2,-0.2 2,-0.6 -0.952 12.3-152.1-119.5 104.5 77.1 13.0 22.8 19 19 A Q E +ab 75 359A 6 339,-2.5 341,-3.3 -2,-0.6 2,-0.4 -0.711 22.1 177.2 -81.0 122.4 73.7 12.3 21.2 20 20 A V E -a 76 0A 2 55,-2.9 2,-0.9 -2,-0.6 57,-0.6 -0.980 35.6-136.3-135.6 135.7 72.7 8.7 21.8 21 21 A F >> - 0 0 4 -2,-0.4 3,-1.5 1,-0.2 4,-0.5 -0.814 26.4-146.9 -82.8 106.6 69.6 6.6 21.0 22 22 A T H >> S+ 0 0 0 -2,-0.9 3,-0.9 1,-0.3 4,-0.7 0.827 93.8 53.1 -44.5 -42.9 69.3 4.8 24.3 23 23 A D H 34 S+ 0 0 3 74,-0.4 29,-2.1 1,-0.2 -1,-0.3 0.761 109.4 48.5 -67.9 -26.3 68.0 1.6 22.7 24 24 A R H <4 S+ 0 0 1 -3,-1.5 354,-2.5 27,-0.1 -1,-0.2 0.366 103.2 62.6 -98.6 4.8 70.8 1.4 20.2 25 25 A F H << S- 0 0 8 -3,-0.9 2,-0.3 -4,-0.5 353,-0.2 0.928 108.9 -21.9 -94.3 -74.8 73.7 1.8 22.6 26 26 A L < - 0 0 45 -4,-0.7 27,-2.3 27,-0.3 2,-1.5 -0.959 40.7-143.4-149.2 127.8 74.1 -0.9 25.3 27 27 A D + 0 0 45 -2,-0.3 25,-0.2 25,-0.3 27,-0.1 -0.689 31.6 165.0 -87.2 87.5 71.7 -3.4 26.9 28 28 A G S S+ 0 0 23 -2,-1.5 -1,-0.2 1,-0.3 24,-0.1 0.708 71.2 36.0 -77.8 -20.6 73.1 -3.2 30.4 29 29 A N > - 0 0 48 22,-0.3 3,-1.1 -3,-0.2 -1,-0.3 -0.881 59.6-177.3-138.1 100.4 70.0 -4.9 31.9 30 30 A P G > S+ 0 0 85 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.582 76.5 78.4 -70.7 -11.9 68.4 -7.7 29.8 31 31 A S G 3 S+ 0 0 112 1,-0.2 -2,-0.0 0, 0.0 0, 0.0 0.693 92.1 49.3 -71.3 -22.4 65.7 -8.1 32.5 32 32 A N G < S+ 0 0 27 -3,-1.1 -1,-0.2 19,-0.1 81,-0.1 0.352 83.6 124.8 -98.9 5.0 63.8 -5.0 31.3 33 33 A N < - 0 0 22 -3,-1.0 6,-0.1 1,-0.1 79,-0.0 -0.314 67.1-106.4 -65.9 144.9 63.8 -6.0 27.6 34 34 A P - 0 0 9 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.180 34.9-123.9 -64.5 165.8 60.4 -6.1 25.8 35 35 A T > - 0 0 126 4,-0.0 3,-0.8 3,-0.0 2,-0.2 -0.863 58.4 -10.8-117.0 149.8 58.9 -9.6 25.0 36 36 A G G > S+ 0 0 62 -2,-0.3 3,-1.6 1,-0.2 0, 0.0 -0.414 121.2 0.8 76.9-141.2 57.8 -11.0 21.7 37 37 A A G 3 S+ 0 0 75 1,-0.3 -1,-0.2 -2,-0.2 56,-0.1 0.679 123.7 64.5 -60.2 -24.7 57.4 -9.2 18.4 38 38 A A G < S+ 0 0 18 -3,-0.8 11,-2.6 10,-0.1 2,-0.3 0.602 97.4 68.5 -78.2 -10.0 58.5 -5.9 19.9 39 39 A Y B < -g 49 0B 66 -3,-1.6 2,-0.3 9,-0.2 11,-0.2 -0.828 52.1-176.9-116.5 148.9 62.0 -7.2 20.6 40 40 A D > - 0 0 27 9,-2.0 3,-1.5 -2,-0.3 -3,-0.0 -0.807 7.9-167.5-144.4 99.0 65.0 -8.2 18.4 41 41 A A T 3 S+ 0 0 66 -2,-0.3 -1,-0.1 1,-0.3 9,-0.0 0.785 92.3 48.7 -56.0 -33.2 68.0 -9.6 20.1 42 42 A T T 3 S- 0 0 106 3,-0.0 -1,-0.3 0, 0.0 8,-0.1 0.555 99.1-139.1 -84.8 -11.9 70.2 -9.4 17.0 43 43 A a < + 0 0 11 -3,-1.5 334,-0.4 6,-0.2 3,-0.1 0.904 62.8 127.2 52.4 49.4 69.1 -5.8 16.3 44 44 A S + 0 0 90 1,-0.2 2,-1.1 332,-0.1 -1,-0.1 0.690 59.6 64.1-101.9 -31.7 68.7 -6.4 12.6 45 45 A N S > S- 0 0 59 1,-0.1 3,-2.0 4,-0.1 -1,-0.2 -0.812 74.6-164.8 -95.6 92.3 65.2 -5.1 12.2 46 46 A L T 3 S+ 0 0 25 -2,-1.1 -1,-0.1 1,-0.3 4,-0.1 0.378 78.4 68.0 -60.9 -0.1 65.9 -1.5 13.2 47 47 A K T 3 S+ 0 0 41 46,-0.1 48,-1.7 2,-0.1 50,-0.4 0.529 94.3 70.3 -94.9 -10.9 62.2 -0.6 13.8 48 48 A L S < S- 0 0 15 -3,-2.0 2,-0.2 46,-0.2 -9,-0.2 -0.524 98.2 -81.8-101.6 170.7 62.0 -2.9 16.8 49 49 A Y B -g 39 0B 7 -11,-2.6 -9,-2.0 -2,-0.2 -6,-0.2 -0.513 31.4-171.3 -73.6 136.9 63.5 -2.6 20.3 50 50 A a - 0 0 5 -2,-0.2 -1,-0.1 -11,-0.2 -23,-0.1 0.532 46.7-108.8-104.5 -11.1 67.2 -3.8 20.6 51 51 A G + 0 0 2 1,-0.3 -22,-0.3 -19,-0.1 -27,-0.1 0.285 60.1 153.9 104.2 -10.7 67.3 -3.6 24.4 52 52 A G + 0 0 3 -29,-2.1 -25,-0.3 -25,-0.2 -1,-0.3 -0.213 19.5 164.5 -54.2 139.7 69.6 -0.6 25.1 53 53 A D > - 0 0 1 -27,-2.3 4,-1.1 -30,-0.1 -27,-0.3 -0.834 52.2 -86.6-146.9-176.5 68.9 1.0 28.4 54 54 A W H > S+ 0 0 0 58,-2.5 4,-2.2 -2,-0.2 59,-0.1 0.781 119.8 60.6 -68.6 -28.6 70.1 3.4 31.2 55 55 A Q H > S+ 0 0 52 57,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.895 102.0 53.9 -65.7 -37.7 72.1 0.6 32.9 56 56 A G H > S+ 0 0 0 -30,-0.5 4,-1.7 -3,-0.2 -1,-0.2 0.855 108.8 47.7 -63.6 -37.0 74.1 0.3 29.7 57 57 A L H X S+ 0 0 0 -4,-1.1 4,-1.2 -31,-0.2 -1,-0.2 0.896 109.7 53.9 -69.8 -40.0 74.9 4.0 29.7 58 58 A I H >X S+ 0 0 3 -4,-2.2 4,-2.4 1,-0.2 3,-0.6 0.927 107.0 52.3 -59.3 -44.1 75.9 3.7 33.4 59 59 A N H 3X S+ 0 0 58 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.911 108.9 47.6 -58.4 -49.2 78.3 0.9 32.6 60 60 A K H 3<>S+ 0 0 27 -4,-1.7 5,-2.0 2,-0.2 6,-1.0 0.665 110.5 53.0 -69.7 -18.3 80.1 2.9 29.8 61 61 A I H X<5S+ 0 0 0 -4,-1.2 3,-1.3 -3,-0.6 6,-0.2 0.902 110.8 47.9 -79.0 -43.6 80.4 5.9 32.1 62 62 A N H 3<5S+ 0 0 85 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.1 0.817 110.0 49.8 -66.1 -35.4 82.0 3.7 34.8 63 63 A D T 3<5S- 0 0 75 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.1 0.191 115.5-115.5 -90.4 18.5 84.5 2.0 32.5 64 64 A N T <>5S+ 0 0 62 -3,-1.3 4,-1.9 -5,-0.1 5,-0.2 0.690 70.9 137.4 58.9 29.7 85.5 5.4 31.2 65 65 A Y H >>S+ 0 0 0 -6,-1.0 4,-1.5 1,-0.2 5,-0.8 0.793 115.0 56.0 -71.4 -32.6 83.0 8.6 27.6 67 67 A S H 45S+ 0 0 47 -6,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.885 111.2 43.2 -68.2 -39.8 85.8 10.1 29.8 68 68 A D H <5S+ 0 0 81 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.826 111.3 55.0 -74.2 -32.8 88.5 8.9 27.5 69 69 A L H <5S- 0 0 0 -4,-1.6 326,-0.2 -5,-0.2 -2,-0.2 0.814 109.6-127.4 -69.1 -30.8 86.5 10.0 24.4 70 70 A G T <5 + 0 0 12 -4,-1.5 -3,-0.2 1,-0.3 2,-0.1 0.372 56.3 144.6 100.9 -4.5 86.3 13.5 26.0 71 71 A V < - 0 0 4 -5,-0.8 -1,-0.3 1,-0.1 -54,-0.2 -0.435 29.3-169.5 -69.9 141.3 82.6 14.1 25.8 72 72 A T + 0 0 25 -56,-1.6 59,-2.2 1,-0.2 2,-0.3 0.234 65.0 41.3-116.5 10.7 81.2 16.1 28.8 73 73 A A E -ac 17 131A 0 -57,-1.0 -55,-1.8 57,-0.3 2,-0.5 -0.975 62.2-146.6-159.0 143.8 77.5 15.7 28.3 74 74 A L E -ac 18 132A 0 57,-3.0 59,-3.6 -2,-0.3 2,-0.6 -0.964 5.5-162.1-116.4 127.1 75.0 13.0 27.2 75 75 A W E -ac 19 133A 4 -57,-2.4 -55,-2.9 -2,-0.5 2,-0.2 -0.953 23.6-173.0-108.2 114.8 71.9 13.8 25.2 76 76 A I E -ac 20 134A 1 57,-2.5 59,-1.1 -2,-0.6 -55,-0.2 -0.706 28.4 -86.4-111.2 165.0 69.5 10.8 25.6 77 77 A S - 0 0 3 -57,-0.6 58,-0.2 -2,-0.2 22,-0.2 -0.141 69.8 -68.9 -60.0 161.3 66.1 9.7 24.1 78 78 A Q - 0 0 0 20,-0.5 -1,-0.2 56,-0.2 58,-0.1 -0.334 46.0-151.4 -55.7 124.1 63.0 11.0 25.8 79 79 A P + 0 0 0 0, 0.0 30,-1.9 0, 0.0 -1,-0.2 0.597 58.7 107.0 -75.3 -13.8 62.9 9.2 29.2 80 80 A V E S-H 108 0C 0 28,-0.2 28,-0.3 19,-0.1 2,-0.2 -0.175 83.7 -83.4 -70.5 160.5 59.1 9.2 29.5 81 81 A E E -H 104 0C 18 26,-1.6 22,-2.8 23,-1.5 23,-1.9 -0.442 48.6-163.4 -66.1 124.3 56.7 6.3 29.2 82 82 A N E -H 102 0C 1 20,-0.3 20,-0.3 -2,-0.2 60,-0.1 -0.595 34.2 -72.7-102.8 168.1 55.9 5.6 25.6 83 83 A I - 0 0 4 18,-2.3 13,-0.3 -2,-0.2 -1,-0.2 -0.233 31.9-150.8 -60.6 148.1 53.0 3.5 24.1 84 84 A F + 0 0 82 11,-0.1 -1,-0.1 -3,-0.1 12,-0.1 0.710 63.4 103.6 -91.8 -25.1 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 -0.094 68.6-128.4 -59.9 154.6 51.4 -1.1 21.4 86 86 A T - 0 0 67 66,-0.1 2,-0.4 9,-0.1 66,-0.3 -0.811 20.6-149.6-103.3 143.2 53.0 -2.3 18.2 87 87 A I E -I 94 0D 4 7,-2.5 7,-3.7 -2,-0.3 2,-0.7 -0.971 3.7-150.0-121.4 134.7 52.1 -0.5 15.0 88 88 A N E -I 93 0D 94 -2,-0.4 2,-0.8 5,-0.2 5,-0.2 -0.895 10.2-169.3-104.0 110.3 52.0 -2.0 11.5 89 89 A Y E > S-I 92 0D 61 3,-2.8 3,-1.6 -2,-0.7 -2,-0.0 -0.877 72.4 -42.7-103.2 102.5 52.8 0.5 8.8 90 90 A S T 3 S- 0 0 129 -2,-0.8 2,-0.4 1,-0.3 -1,-0.2 0.905 125.7 -33.7 42.0 60.0 52.0 -1.1 5.4 91 91 A G T 3 S+ 0 0 59 1,-0.2 -1,-0.3 -3,-0.1 2,-0.3 -0.244 117.6 100.3 98.8 -47.0 53.6 -4.4 6.3 92 92 A V E < -I 89 0D 62 -3,-1.6 -3,-2.8 -2,-0.4 2,-0.5 -0.566 68.2-129.6 -83.0 137.0 56.5 -3.3 8.6 93 93 A T E -I 88 0D 39 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.754 25.9-167.2 -87.0 123.6 56.2 -3.5 12.4 94 94 A N E -I 87 0D 10 -7,-3.7 -7,-2.5 -2,-0.5 2,-0.3 -0.863 5.7-172.6-112.8 145.8 57.2 -0.3 14.2 95 95 A T - 0 0 3 -48,-1.7 3,-0.4 -2,-0.3 -9,-0.1 -0.807 38.4-107.5-127.8 169.7 57.8 0.2 17.9 96 96 A A > + 0 0 2 -13,-0.3 3,-1.9 -2,-0.3 5,-0.2 -0.069 69.1 132.6 -90.7 36.5 58.4 3.3 20.1 97 97 A Y T 3 + 0 0 3 -50,-0.4 -74,-0.4 1,-0.3 -1,-0.2 0.772 66.7 61.1 -56.2 -29.6 62.1 2.5 20.5 98 98 A H T 3 S- 0 0 15 -3,-0.4 -20,-0.5 -51,-0.1 -1,-0.3 0.612 104.5-128.4 -74.6 -16.5 62.9 6.1 19.6 99 99 A G S < S+ 0 0 0 -3,-1.9 3,-0.2 -22,-0.2 -19,-0.1 0.418 77.5 113.2 82.9 1.2 61.0 7.5 22.6 100 100 A Y + 0 0 27 1,-0.2 2,-0.6 36,-0.1 40,-0.1 0.473 57.4 75.8 -84.3 -5.4 58.9 10.0 20.6 101 101 A W S S- 0 0 24 -5,-0.2 -18,-2.3 -18,-0.1 -1,-0.2 -0.516 71.4-179.7-106.7 65.5 55.6 8.3 21.1 102 102 A A E +H 82 0C 0 -2,-0.6 -20,-0.3 39,-0.5 3,-0.1 -0.154 24.8 168.0 -65.6 154.0 54.9 9.4 24.7 103 103 A R E S+ 0 0 42 -22,-2.8 55,-2.9 1,-0.2 2,-0.3 0.433 77.6 26.0-137.5 -22.9 51.8 8.4 26.7 104 104 A D E > -H 81 0C 0 -23,-1.9 -23,-1.5 53,-0.2 3,-1.1 -0.823 55.6-172.5-149.4 104.4 52.7 9.5 30.2 105 105 A F E 3 S+ 0 0 0 53,-0.5 54,-0.1 -2,-0.3 -25,-0.1 0.395 84.8 61.7 -77.4 3.5 55.3 12.2 30.7 106 106 A K E 3 S+ 0 0 31 52,-0.3 2,-0.3 -25,-0.1 -1,-0.2 0.322 98.2 57.7-112.3 7.3 55.4 11.6 34.4 107 107 A K E < S- 0 0 72 -3,-1.1 -26,-1.6 -26,-0.1 -3,-0.1 -0.903 84.2-110.6-130.7 157.9 56.6 8.0 34.4 108 108 A T E -H 80 0C 14 -2,-0.3 -28,-0.2 -28,-0.3 -27,-0.1 -0.405 36.8 -97.7 -85.2 165.5 59.8 6.5 33.0 109 109 A N >> - 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0 0 33 -7,-3.1 2,-0.2 1,-0.3 -6,-0.2 0.825 57.2 -66.9 -95.7 -46.1 43.5 12.2 30.9 165 165 A G E -L 157 0F 13 -8,-1.3 -8,-2.6 5,-0.0 -1,-0.3 -0.880 37.9-122.9 165.1 162.2 42.0 11.4 27.5 166 166 A G - 0 0 13 2,-0.4 -11,-0.2 -10,-0.3 8,-0.2 -0.618 37.1 -99.2-117.3 180.0 42.5 10.0 24.0 167 167 A Y S > S+ 0 0 8 -13,-2.9 3,-0.6 -2,-0.2 2,-0.3 0.866 103.6 68.2 -70.0 -39.4 42.1 11.3 20.4 168 168 A T T 3 S+ 0 0 27 -14,-0.3 -2,-0.4 1,-0.2 3,-0.1 -0.622 111.0 13.1 -82.3 142.7 38.6 9.8 19.8 169 169 A N T 3 S+ 0 0 144 -2,-0.3 2,-1.3 1,-0.2 -1,-0.2 0.950 76.3 168.0 56.3 51.5 35.8 11.4 21.9 170 170 A D X + 0 0 20 -3,-0.6 3,-0.9 1,-0.2 -1,-0.2 -0.657 5.1 160.5 -95.3 72.9 38.0 14.3 22.9 171 171 A T T 3 S+ 0 0 129 -2,-1.3 -1,-0.2 1,-0.2 -2,-0.1 0.825 71.3 55.3 -63.9 -33.2 35.1 16.4 24.3 172 172 A N T 3 S- 0 0 94 -3,-0.2 -1,-0.2 32,-0.0 -2,-0.1 0.586 107.8-125.4 -77.1 -14.4 37.5 18.5 26.3 173 173 A G < + 0 0 21 -3,-0.9 31,-0.1 1,-0.1 -2,-0.1 0.923 54.2 153.2 70.0 45.6 39.6 19.5 23.3 174 174 A Y + 0 0 29 -8,-0.2 27,-3.0 26,-0.1 2,-0.3 0.755 67.1 39.1 -74.4 -25.5 43.0 18.3 24.6 175 175 A F B S-M 200 0G 4 25,-0.3 2,-0.3 -9,-0.2 25,-0.3 -0.770 91.3-102.4-121.0 166.6 44.1 17.7 21.0 176 176 A H - 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0 0 0 -56,-2.0 -57,-1.3 -2,-0.4 2,-0.4 -0.425 34.2-136.7 -60.8 113.2 47.9 13.4 17.9 199 199 A D E -J 140 0E 3 -2,-0.4 -23,-2.8 -23,-0.4 -59,-0.2 -0.577 12.4-128.5 -80.6 126.6 48.6 17.1 18.2 200 200 A F B -M 175 0G 0 -61,-2.5 2,-0.8 -2,-0.4 -25,-0.3 -0.388 6.0-139.0 -72.8 147.4 48.2 18.8 21.6 201 201 A N > - 0 0 27 -27,-3.0 3,-1.6 1,-0.1 6,-0.3 -0.888 19.0-175.9-106.8 94.5 46.1 21.9 22.1 202 202 A H T 3 S+ 0 0 8 -2,-0.8 -1,-0.1 1,-0.3 384,-0.1 0.500 75.9 74.8 -71.6 -4.2 48.3 23.9 24.4 203 203 A N T 3 S+ 0 0 28 473,-0.1 2,-0.5 4,-0.1 -1,-0.3 0.680 75.0 96.3 -78.7 -18.1 45.6 26.6 24.6 204 204 A N S <> S- 0 0 29 -3,-1.6 4,-2.2 -30,-0.1 3,-0.4 -0.632 78.1-139.6 -74.5 121.8 43.7 24.1 26.9 205 205 A A H > S+ 0 0 52 -2,-0.5 4,-2.4 1,-0.2 5,-0.2 0.799 99.9 53.8 -51.2 -38.1 44.5 25.0 30.5 206 206 A T H > S+ 0 0 70 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.913 110.7 45.3 -65.6 -44.8 44.8 21.4 31.6 207 207 A I H > S+ 0 0 0 -3,-0.4 4,-1.8 -6,-0.3 -2,-0.2 0.844 112.3 52.8 -67.4 -35.5 47.4 20.6 28.9 208 208 A D H X S+ 0 0 3 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.952 113.9 41.6 -64.7 -49.4 49.3 23.8 29.7 209 209 A K H X S+ 0 0 121 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.891 109.0 60.8 -65.4 -40.2 49.5 23.0 33.4 210 210 A Y H X S+ 0 0 8 -4,-2.5 4,-3.0 1,-0.2 -1,-0.2 0.903 107.2 44.3 -54.3 -46.0 50.3 19.3 32.6 211 211 A F H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.799 112.2 50.5 -73.7 -28.8 53.5 20.2 30.8 212 212 A K H X S+ 0 0 26 -4,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.933 116.2 43.2 -72.4 -42.4 54.7 22.8 33.3 213 213 A D H X S+ 0 0 54 -4,-2.9 4,-1.4 1,-0.2 -2,-0.2 0.941 113.7 51.7 -66.0 -45.0 54.2 20.2 36.0 214 214 A A H X S+ 0 0 0 -4,-3.0 4,-1.2 -5,-0.3 -1,-0.2 0.846 109.1 48.4 -62.4 -38.7 55.7 17.4 34.0 215 215 A I H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.898 106.2 57.5 -71.7 -34.6 58.9 19.3 33.1 216 216 A K H X S+ 0 0 59 -4,-1.7 4,-2.8 1,-0.2 -1,-0.2 0.857 100.1 60.1 -60.7 -36.8 59.5 20.3 36.8 217 217 A L H X S+ 0 0 47 -4,-1.4 4,-0.6 1,-0.2 -1,-0.2 0.958 110.2 39.8 -55.3 -53.5 59.4 16.6 37.7 218 218 A W H <>S+ 0 0 0 -4,-1.2 5,-1.4 1,-0.2 3,-0.4 0.822 113.6 53.7 -68.0 -33.9 62.4 15.9 35.5 219 219 A L H ><5S+ 0 0 4 -4,-2.2 3,-1.8 1,-0.2 -1,-0.2 0.916 105.8 55.1 -65.9 -40.6 64.2 19.2 36.4 220 220 A D H 3<5S+ 0 0 83 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.671 99.2 61.9 -64.5 -21.2 63.8 18.2 40.1 221 221 A M T 3<5S- 0 0 25 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.2 0.489 125.2 -98.4 -84.9 -3.6 65.6 14.9 39.3 222 222 A G T < 5 + 0 0 17 -3,-1.8 -90,-0.3 1,-0.2 -3,-0.2 0.609 60.5 163.7 102.0 13.7 68.7 16.8 38.3 223 223 A V < - 0 0 1 -5,-1.4 -1,-0.2 1,-0.1 -90,-0.2 -0.351 24.9-155.8 -64.8 145.9 68.7 17.0 34.5 224 224 A D + 0 0 1 -92,-2.7 29,-1.1 1,-0.2 2,-0.3 0.566 65.0 7.8-101.2 -10.1 71.1 19.6 33.1 225 225 A G E -de 133 253A 0 -93,-1.1 -91,-2.2 27,-0.2 2,-0.4 -0.990 58.2-137.2-165.1 163.4 69.5 20.5 29.8 226 226 A I E -de 134 254A 0 27,-2.3 29,-2.3 -2,-0.3 2,-0.7 -0.993 0.3-160.1-135.5 131.5 66.6 20.0 27.5 227 227 A R E -de 135 255A 0 -93,-3.0 -91,-2.3 -2,-0.4 2,-0.5 -0.941 22.3-150.6-107.4 108.5 66.3 19.3 23.7 228 228 A V E > -de 136 256A 0 27,-2.8 29,-1.7 -2,-0.7 3,-0.5 -0.720 11.6-136.4 -85.7 124.8 62.7 20.3 22.7 229 229 A D T 3 S- 0 0 25 -93,-2.5 -90,-0.2 -2,-0.5 4,-0.1 -0.537 73.4 -0.0 -82.7 142.4 61.4 18.3 19.7 230 230 A A T > + 0 0 10 -2,-0.2 3,-2.4 1,-0.1 -1,-0.2 0.799 65.8 166.3 51.5 45.5 59.5 19.9 16.8 231 231 A V G X S+ 0 0 0 26,-0.6 3,-1.0 -3,-0.5 27,-0.2 0.731 72.5 65.0 -60.6 -21.1 59.6 23.5 18.0 232 232 A K G 3 S+ 0 0 69 25,-0.7 -1,-0.3 1,-0.2 26,-0.1 0.591 98.3 56.1 -77.2 -9.0 58.5 24.6 14.6 233 233 A H G < S+ 0 0 26 -3,-2.4 -1,-0.2 -4,-0.1 -2,-0.2 0.193 99.5 63.4-111.7 17.0 55.2 22.8 15.1 234 234 A M S < S- 0 0 5 -3,-1.0 -43,-0.1 -4,-0.1 -95,-0.1 -0.957 96.5 -88.2-135.3 152.0 54.1 24.5 18.3 235 235 A P > - 0 0 11 0, 0.0 4,-1.9 0, 0.0 5,-0.1 -0.343 25.7-138.3 -63.6 138.0 53.2 28.2 18.9 236 236 A L H > S+ 0 0 45 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.922 102.7 58.6 -60.7 -42.2 56.2 30.4 19.8 237 237 A G H > S+ 0 0 5 401,-0.6 4,-1.9 1,-0.2 -1,-0.2 0.904 106.6 43.9 -54.2 -51.7 54.0 32.2 22.3 238 238 A W H > S+ 0 0 2 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.913 113.9 52.0 -61.7 -43.4 53.1 29.0 24.3 239 239 A Q H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.856 108.1 50.4 -61.1 -37.9 56.7 27.9 24.2 240 240 A K H X S+ 0 0 33 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.901 112.2 48.0 -67.1 -41.2 58.0 31.2 25.5 241 241 A S H X S+ 0 0 1 -4,-1.9 4,-1.5 -5,-0.2 343,-0.2 0.938 112.9 47.9 -62.9 -47.7 55.5 31.1 28.4 242 242 A W H X S+ 0 0 0 -4,-2.8 4,-1.4 1,-0.2 -2,-0.2 0.884 110.5 53.2 -60.4 -41.7 56.5 27.5 29.1 243 243 A M H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.861 104.9 53.6 -63.5 -37.9 60.2 28.5 29.0 244 244 A S H X S+ 0 0 11 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.857 106.1 52.8 -68.7 -31.2 59.7 31.3 31.5 245 245 A S H X S+ 0 0 20 -4,-1.5 4,-0.8 2,-0.2 -1,-0.2 0.842 110.7 48.8 -70.7 -32.5 58.2 28.9 34.0 246 246 A I H >X S+ 0 0 0 -4,-1.4 4,-2.4 1,-0.2 3,-0.6 0.938 111.9 47.6 -69.7 -48.5 61.2 26.6 33.6 247 247 A Y H 3< S+ 0 0 13 -4,-2.5 266,-0.3 1,-0.2 -2,-0.2 0.740 109.9 53.0 -65.4 -25.9 63.6 29.5 34.1 248 248 A A H 3< S+ 0 0 40 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.715 120.2 34.3 -80.9 -21.5 61.8 30.7 37.2 249 249 A H H << S- 0 0 68 -4,-0.8 -2,-0.2 -3,-0.6 -3,-0.2 0.910 139.4 -16.4 -95.7 -67.4 62.0 27.2 38.7 250 250 A K < - 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