==== 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 TRANSFERASE(GLUCANOTRANSFERASE) 02-AUG-93 1CDG . COMPND 2 MOLECULE: CYCLODEXTRIN GLYCOSYL-TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CIRCULANS; . AUTHOR C.L.LAWSON,R.VAN MONTFORT,B.V.STROKOPYTOV,K.H.KALK, . 686 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22745.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 442 64.4 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 . 122 17.8 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 1.0 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 . 75 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.0 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 2 2 1 0 0 3 0 1 1 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 3 2 3 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 . 6 1 7 4 2 2 2 1 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 . 3 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 A 0 0 51 0, 0.0 544,-0.1 0, 0.0 546,-0.0 0.000 360.0 360.0 360.0 151.6 43.7 64.3 16.7 2 2 A P > - 0 0 58 0, 0.0 3,-1.8 0, 0.0 6,-0.1 -0.282 360.0-102.8 -70.7 164.4 45.3 67.5 15.4 3 3 A D T 3 S+ 0 0 1 1,-0.3 11,-0.2 516,-0.2 8,-0.1 0.729 120.5 54.2 -54.1 -31.2 47.2 69.9 17.7 4 4 A T T 3 S+ 0 0 36 395,-0.1 -1,-0.3 9,-0.1 396,-0.0 0.369 80.9 120.3 -89.4 -2.0 44.3 72.3 17.7 5 5 A S S X S- 0 0 27 -3,-1.8 3,-2.1 1,-0.1 0, 0.0 -0.274 74.9-118.9 -64.4 146.6 41.6 69.7 18.8 6 6 A V T 3 S+ 0 0 29 1,-0.3 -1,-0.1 120,-0.1 -3,-0.0 0.738 111.3 68.7 -54.6 -21.7 39.6 70.3 22.0 7 7 A S T 3 + 0 0 69 -5,-0.1 2,-1.6 1,-0.1 -1,-0.3 0.596 68.4 101.9 -79.4 -8.5 41.2 67.1 23.2 8 8 A N X + 0 0 2 -3,-2.1 3,-0.8 1,-0.2 -1,-0.1 -0.606 39.4 167.5 -78.3 90.1 44.7 68.5 23.5 9 9 A K T 3 S+ 0 0 51 -2,-1.6 244,-1.8 1,-0.2 -1,-0.2 0.488 70.9 62.1 -77.9 -2.8 45.0 69.0 27.2 10 10 A Q T 3 S+ 0 0 22 1,-0.2 2,-0.4 242,-0.2 -1,-0.2 0.529 101.3 47.8 -98.6 -8.0 48.7 69.6 26.9 11 11 A N < + 0 0 0 -3,-0.8 -1,-0.2 -8,-0.1 3,-0.1 -0.961 41.4 165.8-142.7 117.7 48.8 72.6 24.7 12 12 A F > + 0 0 0 -2,-0.4 3,-1.6 1,-0.1 -1,-0.1 0.266 53.6 103.2-110.1 8.0 46.9 75.9 25.0 13 13 A S T 3 S+ 0 0 0 1,-0.3 -1,-0.1 342,-0.1 -9,-0.1 0.776 83.5 48.3 -64.4 -23.5 48.9 77.9 22.5 14 14 A T T 3 S+ 0 0 2 -11,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.476 103.4 83.8 -95.0 2.8 46.3 77.6 19.8 15 15 A D < - 0 0 2 -3,-1.6 2,-0.4 383,-0.1 56,-0.1 -0.517 67.1-140.7 -99.4 173.0 43.5 78.6 22.2 16 16 A V - 0 0 1 -2,-0.1 56,-2.2 54,-0.1 57,-1.2 -0.994 24.8-147.8-126.8 112.8 42.1 81.9 23.5 17 17 A I E -ab 73 357A 0 339,-3.0 341,-2.6 -2,-0.4 2,-0.6 -0.726 3.8-154.5 -86.1 139.8 41.2 81.6 27.2 18 18 A Y E -ab 74 358A 0 55,-2.3 57,-2.5 -2,-0.4 2,-0.6 -0.946 14.9-143.4-113.4 115.8 38.2 83.5 28.6 19 19 A Q E -ab 75 359A 5 339,-3.3 341,-2.6 -2,-0.6 2,-0.4 -0.719 20.5-171.0 -85.9 118.9 38.6 84.2 32.3 20 20 A I - 0 0 2 55,-3.3 2,-0.8 -2,-0.6 57,-0.5 -0.940 27.8-151.0-115.7 135.8 35.3 84.0 34.3 21 21 A F >> - 0 0 3 -2,-0.4 3,-1.4 55,-0.2 4,-0.6 -0.913 29.1-147.2 -91.0 101.4 34.4 84.9 38.0 22 22 A T H >> S+ 0 0 0 -2,-0.8 3,-1.0 1,-0.3 4,-0.6 0.852 90.4 54.8 -45.9 -42.0 31.6 82.4 38.1 23 23 A D H 34 S+ 0 0 2 74,-0.4 29,-2.3 1,-0.3 -1,-0.3 0.747 111.4 43.3 -65.4 -27.4 29.5 84.5 40.5 24 24 A R H <4 S+ 0 0 0 -3,-1.4 354,-1.6 27,-0.1 -1,-0.3 0.372 101.8 69.2-104.0 6.2 29.5 87.4 38.3 25 25 A F H << S- 0 0 4 -3,-1.0 2,-0.3 -4,-0.6 -2,-0.1 0.931 108.9 -27.4 -89.5 -72.4 28.9 85.9 34.9 26 26 A S < - 0 0 26 -4,-0.6 27,-2.2 27,-0.2 2,-1.3 -0.940 44.5-142.7-153.5 123.4 25.4 84.5 34.6 27 27 A D + 0 0 57 -2,-0.3 25,-0.2 25,-0.3 27,-0.1 -0.660 31.8 161.7 -80.7 92.9 23.0 83.1 37.2 28 28 A G + 0 0 24 -2,-1.3 -1,-0.2 1,-0.3 3,-0.1 0.504 68.5 42.1 -95.8 2.0 21.3 80.2 35.4 29 29 A N > + 0 0 43 22,-0.4 3,-1.3 -3,-0.1 -1,-0.3 -0.704 58.7 179.8-150.1 91.9 20.0 78.5 38.4 30 30 A P G > S+ 0 0 90 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.642 75.6 75.6 -65.8 -20.8 18.5 80.8 41.0 31 31 A A G 3 S+ 0 0 91 1,-0.2 -2,-0.0 -3,-0.1 -3,-0.0 0.772 93.6 50.1 -67.3 -26.5 17.6 77.9 43.2 32 32 A N G < S+ 0 0 30 -3,-1.3 -1,-0.2 19,-0.1 81,-0.1 0.318 84.1 123.1 -93.3 9.5 21.3 77.5 44.3 33 33 A N < - 0 0 23 -3,-1.3 6,-0.1 1,-0.1 78,-0.1 -0.508 69.5-110.3 -73.1 136.5 21.7 81.1 45.2 34 34 A P - 0 0 31 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.142 36.6-134.7 -60.6 159.0 22.7 81.9 48.7 35 35 A T > - 0 0 121 -3,-0.1 3,-1.0 4,-0.0 2,-0.1 -0.788 52.0 -1.7-118.2 158.6 20.0 83.5 50.8 36 36 A G G > S+ 0 0 58 -2,-0.3 3,-2.0 1,-0.2 0, 0.0 -0.315 122.0 1.3 69.1-143.0 19.9 86.4 53.2 37 37 A A G 3 S+ 0 0 63 1,-0.3 -1,-0.2 -2,-0.1 56,-0.0 0.516 127.6 59.9 -62.0 -7.6 22.8 88.5 54.1 38 38 A A G < S+ 0 0 15 -3,-1.0 11,-2.9 10,-0.1 2,-0.3 0.636 98.6 72.5 -93.2 -15.3 25.2 86.6 51.8 39 39 A F B < +g 49 0B 57 -3,-2.0 2,-0.2 9,-0.2 11,-0.2 -0.815 43.3 170.5-114.5 143.8 23.2 87.4 48.8 40 40 A D > - 0 0 28 9,-2.3 3,-1.8 -2,-0.3 5,-0.1 -0.782 9.5-171.6-144.8 93.7 22.6 90.5 46.6 41 41 A G T 3 S+ 0 0 35 1,-0.3 9,-0.1 -2,-0.2 -1,-0.0 0.648 88.1 57.0 -63.6 -18.5 20.7 89.7 43.4 42 42 A T T 3 S- 0 0 90 3,-0.0 -1,-0.3 0, 0.0 8,-0.1 0.573 100.3-139.3 -86.0 -13.3 21.3 93.2 42.1 43 43 A a < + 0 0 13 -3,-1.8 334,-0.3 6,-0.2 -2,-0.1 0.941 61.5 132.1 55.5 46.1 25.0 92.7 42.5 44 44 A T + 0 0 111 1,-0.2 2,-0.9 332,-0.1 -1,-0.1 0.753 61.3 63.3 -94.6 -29.6 25.4 96.1 43.9 45 45 A N S > S- 0 0 60 1,-0.1 3,-1.1 4,-0.1 -1,-0.2 -0.879 73.4-163.3 -96.4 108.3 27.4 94.9 46.7 46 46 A L T 3 S+ 0 0 23 -2,-0.9 -1,-0.1 1,-0.2 4,-0.1 0.435 80.2 63.0 -73.2 -2.1 30.4 93.5 45.2 47 47 A R T 3 S+ 0 0 88 46,-0.1 48,-2.3 2,-0.1 50,-0.3 0.477 95.4 64.3-101.2 -6.5 31.4 91.5 48.3 48 48 A L S < S- 0 0 16 -3,-1.1 2,-0.4 46,-0.2 -9,-0.2 -0.500 98.8 -77.1-104.5-176.3 28.5 89.3 48.5 49 49 A Y B -g 39 0B 18 -11,-2.9 -9,-2.3 -2,-0.2 -6,-0.2 -0.646 32.1-174.0 -82.3 132.6 27.2 86.6 46.2 50 50 A a - 0 0 0 -2,-0.4 -1,-0.1 -11,-0.2 -23,-0.1 0.603 47.7-111.7-100.7 -14.2 25.4 87.7 43.1 51 51 A G + 0 0 2 1,-0.2 -22,-0.4 -19,-0.1 -27,-0.1 0.508 57.6 153.8 105.6 0.4 24.4 84.3 42.0 52 52 A G + 0 0 2 -29,-2.3 -25,-0.3 -25,-0.2 2,-0.2 -0.316 22.3 164.8 -62.5 148.1 26.4 83.4 38.9 53 53 A D > - 0 0 0 -27,-2.2 4,-1.7 -30,-0.1 -27,-0.2 -0.851 51.3 -81.4-151.0-172.3 26.9 79.7 38.5 54 54 A W H > S+ 0 0 0 58,-2.0 4,-2.8 -2,-0.2 5,-0.2 0.893 122.7 55.6 -66.3 -38.6 27.8 76.7 36.3 55 55 A Q H > S+ 0 0 54 57,-0.5 4,-2.9 1,-0.2 -1,-0.2 0.901 105.4 53.4 -59.6 -38.8 24.4 76.5 34.7 56 56 A G H > S+ 0 0 0 -30,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.948 109.5 47.5 -59.0 -47.8 24.8 80.1 33.7 57 57 A I H X S+ 0 0 0 -4,-1.7 4,-1.5 -31,-0.3 -2,-0.2 0.917 109.5 53.7 -59.3 -46.9 28.1 79.3 32.0 58 58 A I H X S+ 0 0 11 -4,-2.8 4,-2.3 1,-0.2 3,-0.5 0.922 107.2 51.9 -55.9 -45.2 26.5 76.4 30.3 59 59 A N H X S+ 0 0 66 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.909 108.1 50.2 -58.8 -42.7 23.8 78.6 29.0 60 60 A K H <>S+ 0 0 18 -4,-1.9 6,-1.2 2,-0.2 5,-0.7 0.716 108.5 53.5 -69.4 -22.9 26.3 81.2 27.5 61 61 A I H ><5S+ 0 0 0 -4,-1.5 3,-0.7 -3,-0.5 6,-0.3 0.887 113.9 42.7 -76.4 -39.6 28.1 78.4 25.8 62 62 A N H 3<5S+ 0 0 91 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.1 0.730 106.8 57.3 -81.4 -22.8 24.9 77.2 24.2 63 63 A D T 3<5S- 0 0 90 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.1 0.300 114.6-108.3 -89.1 10.0 23.4 80.5 23.1 64 64 A G T <>5S+ 0 0 26 -3,-0.7 4,-2.2 -5,-0.1 5,-0.2 0.433 82.8 121.0 84.8 0.5 26.5 81.4 21.0 65 65 A Y H >>S+ 0 0 0 -6,-1.2 5,-1.5 2,-0.2 4,-0.8 0.913 123.5 48.7 -78.4 -46.2 31.5 82.6 23.8 67 67 A T H >45S+ 0 0 48 -7,-0.3 3,-1.3 -6,-0.3 -2,-0.2 0.907 106.2 57.4 -64.8 -38.7 31.6 80.6 20.7 68 68 A G H 3<5S+ 0 0 32 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.840 104.9 53.1 -60.2 -29.2 30.7 83.6 18.5 69 69 A M H 3<5S- 0 0 0 -4,-0.7 326,-0.3 -3,-0.5 -1,-0.3 0.681 116.1-114.4 -79.8 -18.7 33.6 85.4 19.9 70 70 A G T <<5 + 0 0 18 -3,-1.3 -3,-0.2 -4,-0.8 -54,-0.1 0.585 60.9 153.8 93.3 8.5 36.1 82.7 19.0 71 71 A V < + 0 0 3 -5,-1.5 -1,-0.3 1,-0.1 -54,-0.2 -0.471 19.0 179.9 -69.0 144.0 36.9 81.8 22.6 72 72 A T + 0 0 24 -56,-2.2 59,-2.3 1,-0.2 2,-0.3 0.321 61.1 36.6-132.8 9.6 38.1 78.2 23.0 73 73 A A E -ac 17 131A 0 -57,-1.2 -55,-2.3 57,-0.3 2,-0.4 -0.981 62.3-153.4-154.7 149.3 38.8 77.8 26.6 74 74 A I E -ac 18 132A 0 57,-2.3 59,-2.8 -2,-0.3 2,-0.5 -0.980 3.7-156.2-124.6 145.2 37.2 79.1 29.8 75 75 A W E -ac 19 133A 3 -57,-2.5 -55,-3.3 -2,-0.4 2,-0.3 -0.991 22.6-173.3-120.8 115.9 39.0 79.6 33.1 76 76 A I E - c 0 134A 0 57,-2.2 59,-1.9 -2,-0.5 -55,-0.2 -0.759 29.2 -81.3-115.4 164.1 36.6 79.5 36.1 77 77 A S - 0 0 2 -57,-0.5 22,-0.2 -2,-0.3 -1,-0.1 -0.160 67.2 -73.4 -57.4 154.3 36.7 80.2 39.9 78 78 A Q - 0 0 0 20,-0.5 -1,-0.2 1,-0.2 58,-0.1 -0.195 46.6-151.8 -48.9 124.9 38.0 77.5 42.2 79 79 A P + 0 0 0 0, 0.0 30,-1.7 0, 0.0 -1,-0.2 0.546 54.4 109.9 -84.7 -6.2 35.2 75.0 42.3 80 80 A V E S-H 108 0C 0 28,-0.2 28,-0.3 19,-0.2 25,-0.2 -0.224 81.7 -78.1 -74.4 160.3 35.7 73.5 45.7 81 81 A E E -H 104 0C 14 26,-1.8 22,-3.0 23,-1.0 23,-1.4 -0.296 51.1-158.4 -57.6 126.0 33.5 73.9 48.8 82 82 A N E -H 102 0C 2 20,-0.3 20,-0.2 21,-0.2 -1,-0.1 -0.655 28.0 -83.4-104.3 164.3 34.1 77.2 50.4 83 83 A I - 0 0 3 18,-2.0 13,-0.4 -2,-0.2 -1,-0.1 -0.256 31.3-144.7 -62.2 152.6 33.4 78.4 54.0 84 84 A Y + 0 0 119 11,-0.1 -1,-0.1 2,-0.1 68,-0.0 0.632 60.1 111.2 -98.6 -13.8 29.9 79.5 54.6 85 85 A S - 0 0 32 1,-0.1 2,-0.4 10,-0.1 11,-0.3 -0.315 65.2-131.8 -62.0 144.7 30.5 82.3 57.1 86 86 A I - 0 0 66 9,-0.1 2,-0.6 66,-0.1 9,-0.2 -0.808 27.9-147.2 -89.4 127.4 29.9 86.0 56.3 87 87 A I E -K 94 0D 3 7,-3.3 7,-1.9 -2,-0.4 2,-0.8 -0.902 2.5-149.4-105.9 120.5 33.2 87.8 57.4 88 88 A N E -K 93 0D 79 -2,-0.6 2,-0.9 5,-0.2 5,-0.3 -0.757 9.6-168.2 -88.6 119.4 32.8 91.3 58.7 89 89 A Y E > S-K 92 0D 75 3,-4.9 3,-0.5 -2,-0.8 -1,-0.1 -0.636 70.9 -44.3-110.2 82.0 35.9 93.2 57.9 90 90 A S T 3 S- 0 0 123 -2,-0.9 -1,-0.2 1,-0.2 3,-0.1 0.996 128.4 -26.6 63.5 65.1 35.6 96.4 59.9 91 91 A G T 3 S+ 0 0 67 1,-0.1 2,-0.6 -3,-0.1 -1,-0.2 0.046 120.9 103.0 90.2 -28.9 32.0 97.1 59.2 92 92 A V E < -K 89 0D 64 -3,-0.5 -3,-4.9 -45,-0.0 2,-0.3 -0.825 62.5-141.1-102.4 125.4 32.0 95.3 55.8 93 93 A N E -K 88 0D 62 -2,-0.6 2,-0.4 -5,-0.3 -5,-0.2 -0.588 21.3-170.6 -77.3 130.8 30.5 92.0 55.2 94 94 A N E -K 87 0D 24 -7,-1.9 -7,-3.3 -2,-0.3 2,-0.2 -0.978 6.0-165.1-127.5 141.0 32.4 89.6 52.9 95 95 A T - 0 0 4 -48,-2.3 3,-0.4 -2,-0.4 2,-0.4 -0.754 35.8-108.6-117.8 165.6 31.5 86.3 51.4 96 96 A A > + 0 0 2 -13,-0.4 3,-1.7 -11,-0.3 5,-0.2 -0.057 69.3 133.2 -81.9 34.1 33.5 83.5 49.7 97 97 A Y T 3 + 0 0 6 -2,-0.4 -74,-0.4 -50,-0.3 -1,-0.2 0.748 65.5 61.1 -59.4 -25.7 32.1 84.4 46.3 98 98 A H T 3 S- 0 0 16 -3,-0.4 -20,-0.5 -76,-0.1 -1,-0.3 0.664 103.8-128.7 -72.5 -23.6 35.6 84.3 44.8 99 99 A G S < S+ 0 0 0 -3,-1.7 -19,-0.2 -22,-0.2 38,-0.2 0.486 76.5 114.8 84.7 6.4 36.1 80.7 45.6 100 100 A Y + 0 0 25 1,-0.2 2,-0.5 36,-0.1 40,-0.1 0.413 55.3 75.6 -91.2 3.2 39.5 81.4 47.3 101 101 A W S S- 0 0 27 -5,-0.2 -18,-2.0 -18,-0.1 41,-0.2 -0.671 73.5-166.7-115.7 73.5 38.5 80.4 50.9 102 102 A A E +H 82 0C 0 39,-0.6 -20,-0.3 -2,-0.5 3,-0.1 -0.285 26.5 168.8 -65.6 143.6 38.4 76.5 50.7 103 103 A R E S+ 0 0 38 -22,-3.0 55,-3.0 1,-0.3 2,-0.3 0.627 78.9 11.5-120.6 -32.3 36.9 74.3 53.4 104 104 A D E > -Hi 81 158C 0 -23,-1.4 -23,-1.0 53,-0.2 3,-0.8 -0.918 55.4-161.6-150.7 115.0 37.0 70.9 51.5 105 105 A F E 3 S+ 0 0 0 53,-0.6 54,-0.1 -2,-0.3 -1,-0.1 0.476 88.2 63.2 -78.5 2.7 38.8 70.3 48.3 106 106 A K E 3 S+ 0 0 36 52,-0.2 2,-0.3 2,-0.1 -1,-0.2 0.537 98.7 55.2-103.1 -7.6 36.7 67.2 47.6 107 107 A K E < S- 0 0 63 -3,-0.8 -26,-1.8 -26,-0.1 2,-0.1 -0.778 82.6-105.9-122.7 166.7 33.3 68.7 47.3 108 108 A T E -H 80 0C 19 -28,-0.3 -28,-0.2 -2,-0.3 -27,-0.1 -0.466 31.1-108.1 -89.6 159.8 31.8 71.5 45.2 109 109 A N >> - 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0 0 73 -2,-0.6 -3,-0.0 -3,-0.1 -5,-0.0 -0.982 9.7-168.2-129.4 119.4 61.8 91.4 36.5 266 266 A S > - 0 0 14 -2,-0.5 4,-1.7 1,-0.1 3,-0.2 -0.948 22.7-162.0-117.6 124.4 62.6 88.5 38.7 267 267 A P H > S+ 0 0 102 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.728 98.4 58.5 -68.9 -25.7 65.1 85.7 38.1 268 268 A E H > S+ 0 0 79 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.826 104.8 51.2 -71.0 -35.1 63.3 83.6 40.7 269 269 A N H > S+ 0 0 2 -3,-0.2 4,-2.2 2,-0.2 5,-0.2 0.935 111.7 45.8 -65.1 -48.4 60.2 83.9 38.6 270 270 A H H X S+ 0 0 20 -4,-1.7 4,-1.8 2,-0.2 45,-0.3 0.917 112.2 50.6 -63.1 -41.5 62.1 82.7 35.5 271 271 A K H X S+ 0 0 99 -4,-2.1 4,-2.0 1,-0.2 5,-0.2 0.945 110.0 51.5 -61.8 -40.1 63.7 79.8 37.3 272 272 A F H X S+ 0 0 9 -4,-2.0 4,-2.4 1,-0.2 6,-0.4 0.938 112.1 44.1 -61.5 -48.2 60.4 78.7 38.6 273 273 A A H < S+ 0 0 2 -4,-2.2 4,-0.2 1,-0.2 -1,-0.2 0.818 117.1 49.4 -66.8 -29.1 58.6 78.7 35.1 274 274 A N H < S+ 0 0 37 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.764 126.6 19.6 -80.7 -26.5 61.7 77.0 33.7 275 275 A E H < S+ 0 0 100 -4,-2.0 -2,-0.2 -3,-0.1 -3,-0.2 0.587 102.7 75.0-121.1 -17.3 62.0 74.3 36.3 276 276 A S S < S- 0 0 5 -4,-2.4 -33,-0.2 2,-0.3 -3,-0.1 0.596 96.1-110.4 -77.8 -19.5 58.8 73.6 38.3 277 277 A G S S+ 0 0 24 1,-0.4 2,-0.3 -4,-0.2 -23,-0.3 0.308 91.1 80.2 101.1 -11.2 56.7 71.8 35.7 278 278 A M - 0 0 6 -6,-0.4 -1,-0.4 -25,-0.1 -2,-0.3 -0.913 67.7-136.0-129.7 166.7 54.3 74.6 35.3 279 279 A S E -f 255 0A 7 -25,-2.3 -23,-2.4 -2,-0.3 2,-0.3 -0.295 25.0-121.0-103.9-169.4 54.2 77.9 33.4 280 280 A L E -f 256 0A 0 -25,-0.3 41,-1.9 -2,-0.1 2,-0.2 -0.955 21.9 -97.9-138.4 158.6 53.1 81.3 34.6 281 281 A L B -o 321 0H 1 -25,-2.2 2,-1.7 -2,-0.3 -23,-0.3 -0.541 50.3-119.4 -65.9 128.4 50.7 84.2 34.0 282 282 A D > + 0 0 0 39,-3.6 4,-2.4 -2,-0.2 41,-0.4 -0.589 49.2 160.1 -81.0 74.4 52.9 86.7 32.0 283 283 A F H > S+ 0 0 1 -2,-1.7 4,-2.7 -25,-0.3 5,-0.3 0.742 74.4 60.2 -63.2 -32.9 52.8 89.7 34.4 284 284 A R H > S+ 0 0 35 -3,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.959 109.5 42.7 -60.8 -44.3 55.9 91.1 32.7 285 285 A F H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.963 116.7 46.2 -65.4 -53.3 54.0 91.2 29.4 286 286 A A H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.883 111.3 49.7 -57.4 -49.1 50.8 92.6 30.9 287 287 A Q H X S+ 0 0 16 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.902 114.5 47.6 -60.0 -38.4 52.5 95.3 33.0 288 288 A K H X S+ 0 0 22 -4,-1.7 4,-2.0 -5,-0.3 -2,-0.2 0.885 108.6 52.4 -68.3 -43.8 54.4 96.3 29.9 289 289 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.4 0.830 110.5 49.4 -59.4 -38.0 51.4 96.4 27.6 290 290 A R H X>S+ 0 0 18 -4,-1.7 4,-2.2 -5,-0.2 5,-2.2 0.932 108.3 52.0 -70.5 -43.8 49.6 98.6 30.1 291 291 A Q H <5S+ 0 0 9 -4,-1.9 6,-1.8 3,-0.2 7,-1.0 0.881 119.2 37.8 -58.6 -39.3 52.6 101.1 30.3 292 292 A V H <5S+ 0 0 0 -4,-2.0 -2,-0.2 4,-0.2 -1,-0.2 0.891 130.5 22.9 -80.3 -48.9 52.6 101.3 26.6 293 293 A F H <5S+ 0 0 2 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.591 133.5 25.8 -97.1 -19.3 49.0 101.3 25.5 294 294 A R T <5S+ 0 0 35 -4,-2.2 -3,-0.2 -5,-0.4 -4,-0.1 0.819 129.0 23.4-106.8 -64.7 47.2 102.4 28.6 295 295 A D S > - 0 0 42 -2,-0.3 4,-1.6 -3,-0.1 3,-1.1 -0.526 41.7 -71.5-125.3-165.0 57.1 103.4 24.5 300 300 A M H 3> S+ 0 0 0 116,-2.3 4,-2.5 1,-0.3 5,-0.2 0.808 125.2 60.9 -58.3 -33.4 57.5 100.9 21.7 301 301 A Y H 3> S+ 0 0 110 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.871 105.0 48.7 -63.1 -34.0 61.2 100.5 22.5 302 302 A G H <> S+ 0 0 11 -3,-1.1 4,-1.6 2,-0.2 -1,-0.2 0.873 110.5 51.2 -73.6 -31.4 60.2 99.2 26.0 303 303 A L H X S+ 0 0 0 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.938 110.1 49.1 -69.2 -45.0 57.7 96.8 24.5 304 304 A K H X S+ 0 0 51 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.869 108.3 53.3 -62.1 -40.0 60.2 95.4 22.1 305 305 A A H X S+ 0 0 56 -4,-1.8 4,-2.4 -5,-0.2 5,-0.3 0.856 108.0 50.8 -66.6 -30.3 62.7 95.0 24.9 306 306 A M H X S+ 0 0 6 -4,-1.6 4,-2.2 2,-0.2 5,-0.2 0.897 110.2 50.5 -71.5 -39.2 60.1 93.0 26.9 307 307 A L H X S+ 0 0 10 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.928 115.6 40.4 -63.9 -48.5 59.5 90.8 23.9 308 308 A E H X S+ 0 0 81 -4,-2.4 4,-1.0 2,-0.2 -2,-0.2 0.937 117.3 47.8 -66.5 -48.3 63.2 90.0 23.2 309 309 A G H >X S+ 0 0 22 -4,-2.4 4,-2.8 -5,-0.3 3,-1.1 0.967 111.5 49.3 -56.8 -51.5 64.2 89.6 26.8 310 310 A S H 3X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.3 -1,-0.2 0.874 104.3 58.3 -58.4 -38.7 61.3 87.4 27.7 311 311 A A H 3< S+ 0 0 60 -4,-1.5 -1,-0.3 -5,-0.2 6,-0.2 0.804 114.8 40.5 -61.7 -24.9 61.9 85.1 24.7 312 312 A A H << S+ 0 0 78 -3,-1.1 -2,-0.2 -4,-1.0 -1,-0.2 0.843 114.7 48.3 -93.8 -35.3 65.3 84.7 26.2 313 313 A D H < S+ 0 0 59 -4,-2.8 2,-0.5 -5,-0.1 -2,-0.2 0.869 103.3 66.2 -73.2 -37.9 64.5 84.4 30.0 314 314 A Y >< - 0 0 5 -4,-2.6 3,-0.7 -5,-0.2 4,-0.1 -0.787 67.3-153.5 -91.1 128.5 61.7 81.9 29.6 315 315 A A T 3 S+ 0 0 39 -2,-0.5 2,-0.4 1,-0.3 -1,-0.2 0.860 99.2 27.5 -64.1 -36.5 62.6 78.4 28.4 316 316 A Q T > S+ 0 0 15 1,-0.2 3,-1.8 -3,-0.1 -1,-0.3 -0.706 70.4 168.7-127.2 80.3 59.1 78.0 27.1 317 317 A V G X S+ 0 0 19 -3,-0.7 3,-1.7 -2,-0.4 -1,-0.2 0.857 73.6 65.0 -59.4 -33.2 57.9 81.5 26.2 318 318 A D G 3 S+ 0 0 30 1,-0.3 -1,-0.3 -3,-0.1 36,-0.1 0.442 96.3 57.1 -71.7 -3.1 54.9 80.1 24.3 319 319 A D G < S+ 0 0 12 -3,-1.8 2,-0.3 35,-0.1 -1,-0.3 0.391 78.0 106.8-103.9 -3.5 53.5 78.6 27.5 320 320 A Q S < S- 0 0 1 -3,-1.7 35,-1.9 -4,-0.2 2,-0.6 -0.665 72.3-126.8 -76.8 132.5 53.3 81.9 29.5 321 321 A V E -op 281 355H 0 -41,-1.9 -39,-3.6 -2,-0.3 2,-0.2 -0.777 28.2-158.1 -88.8 118.2 49.7 83.1 29.8 322 322 A T E + p 0 356H 0 33,-1.4 35,-2.4 -2,-0.6 2,-0.3 -0.524 20.2 153.2 -98.3 158.2 49.2 86.7 28.6 323 323 A F - 0 0 4 -41,-0.4 -34,-0.2 33,-0.2 35,-0.1 -0.945 43.6-134.1-169.8 168.3 46.6 89.2 29.4 324 324 A I S S- 0 0 7 1,-0.4 2,-0.3 33,-0.4 34,-0.1 0.542 90.3 -6.8-109.1 -19.8 45.9 92.9 29.7 325 325 A D + 0 0 4 32,-0.2 -1,-0.4 6,-0.1 34,-0.3 -0.933 61.4 173.3-164.6 170.8 44.0 92.8 33.0 326 326 A N > - 0 0 2 -2,-0.3 3,-1.4 3,-0.2 33,-0.0 -0.868 58.4 -61.9-167.5-171.7 42.6 90.2 35.5 327 327 A H T 3 S+ 0 0 2 1,-0.2 44,-0.2 -2,-0.2 47,-0.2 0.500 127.7 56.0 -68.0 -3.8 41.0 90.1 39.0 328 328 A D T 3 S+ 0 0 66 42,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.256 103.0 53.5-110.9 8.9 44.2 91.6 40.5 329 329 A M S < S- 0 0 12 -3,-1.4 -3,-0.2 40,-0.1 3,-0.1 -0.950 93.2 -92.1-136.8 155.5 44.5 94.8 38.5 330 330 A E - 0 0 85 -2,-0.3 39,-0.2 1,-0.1 40,-0.1 -0.454 62.1 -85.5 -68.3 152.3 42.2 97.7 37.8 331 331 A R - 0 0 1 37,-2.0 37,-0.3 38,-0.3 -1,-0.1 -0.194 33.8-125.3 -56.4 146.0 40.3 97.1 34.5 332 332 A F S S+ 0 0 6 -3,-0.1 2,-0.6 35,-0.1 -1,-0.1 0.910 92.5 74.8 -61.1 -47.5 42.2 98.2 31.4 333 333 A H S S- 0 0 9 33,-0.5 35,-0.5 8,-0.0 2,-0.4 -0.593 70.3-157.9 -72.2 119.8 39.4 100.4 30.2 334 334 A A > - 0 0 30 -2,-0.6 3,-2.7 33,-0.2 -2,-0.0 -0.809 28.1-114.5 -99.1 137.4 39.1 103.6 32.1 335 335 A S T 3 S+ 0 0 100 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.708 112.2 38.2 -41.2 -39.1 35.8 105.3 31.9 336 336 A N T 3 S+ 0 0 144 2,-0.1 -1,-0.3 3,-0.0 2,-0.3 -0.039 95.6 114.5-104.4 25.6 36.9 108.3 30.1 337 337 A A S < S- 0 0 29 -3,-2.7 2,-0.2 1,-0.1 -4,-0.0 -0.706 74.9 -98.4-106.2 160.9 39.3 106.7 27.9 338 338 A N >> - 0 0 90 -2,-0.3 3,-1.3 1,-0.2 4,-0.6 -0.484 28.9-140.6 -66.5 129.6 39.5 106.2 24.2 339 339 A R H >> S+ 0 0 131 1,-0.2 4,-2.0 -2,-0.2 3,-0.5 0.802 93.4 76.8 -62.8 -26.6 38.3 102.7 23.4 340 340 A R H 3> S+ 0 0 38 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.787 85.5 61.8 -54.2 -32.8 40.9 102.3 20.8 341 341 A K H <> S+ 0 0 46 -3,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.934 106.6 43.6 -59.9 -50.8 43.5 101.7 23.4 342 342 A L H < S+ 0 0 4 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.945 109.8 52.9 -59.1 -48.2 47.8 90.2 22.9 350 350 A L H 3< S+ 0 0 1 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.712 114.5 40.9 -60.8 -31.9 45.9 87.9 20.5 351 351 A T H 3< S+ 0 0 1 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.354 101.5 94.6-100.5 3.0 48.7 87.9 17.8 352 352 A S S << S- 0 0 2 -3,-1.3 -30,-0.1 -4,-0.6 -3,-0.0 -0.454 85.3 -84.4 -94.0 163.7 51.5 87.7 20.3 353 353 A R S S+ 0 0 7 -2,-0.1 2,-0.3 2,-0.1 -1,-0.1 -0.254 89.2 37.2 -64.2 149.6 53.5 84.7 21.6 354 354 A G S S- 0 0 0 51,-0.4 -33,-0.2 50,-0.2 -36,-0.1 -0.757 101.7 -51.9 112.1-160.7 52.0 82.7 24.6 355 355 A V E -p 321 0H 0 -35,-1.9 -33,-1.4 -2,-0.3 2,-0.2 -0.958 57.0-138.8-121.4 108.7 48.5 81.7 25.6 356 356 A P E -p 322 0H 0 0, 0.0 -339,-3.0 0, 0.0 2,-0.4 -0.440 16.5-167.6 -73.9 144.8 46.2 84.7 25.6 357 357 A A E -b 17 0A 5 -35,-2.4 2,-0.5 -2,-0.2 -33,-0.4 -0.982 6.3-156.8-131.2 133.1 43.6 85.1 28.3 358 358 A I E -b 18 0A 5 -341,-2.6 -339,-3.3 -2,-0.4 2,-0.3 -0.963 18.7-131.3-110.6 120.8 40.7 87.6 28.2 359 359 A Y E > -b 19 0A 2 -2,-0.5 3,-2.0 -34,-0.3 4,-0.2 -0.584 42.6 -94.8 -70.3 131.6 39.2 88.8 31.6 360 360 A Y T 3 S+ 0 0 0 -341,-2.6 -1,-0.1 -2,-0.3 -340,-0.0 -0.052 109.5 25.2 -48.0 139.6 35.4 88.5 31.3 361 361 A G T > >S+ 0 0 0 -3,-0.1 3,-1.5 17,-0.1 5,-1.5 0.328 83.3 115.2 89.9 -17.3 33.6 91.6 30.3 362 362 A T G X 5S+ 0 0 3 -3,-2.0 3,-2.6 1,-0.3 -2,-0.1 0.942 76.0 54.9 -51.7 -46.4 36.7 93.1 28.5 363 363 A E G 3 5S+ 0 0 0 1,-0.3 25,-0.7 -4,-0.2 -1,-0.3 0.548 106.3 52.9 -67.5 -6.6 34.7 92.9 25.1 364 364 A Q G < 5S- 0 0 25 -3,-1.5 -1,-0.3 23,-0.1 -2,-0.2 0.329 115.8-116.7-105.8 -0.7 32.0 95.0 26.8 365 365 A Y T < 5 - 0 0 14 -3,-2.6 -3,-0.2 -4,-0.3 -2,-0.1 0.873 43.4-174.4 65.3 42.2 34.4 97.7 27.9 366 366 A M < - 0 0 18 -5,-1.5 -33,-0.5 8,-0.0 2,-0.3 -0.401 5.8-159.0 -70.3 141.7 33.9 97.2 31.6 367 367 A S + 0 0 44 -35,-0.1 2,-0.2 -2,-0.1 -33,-0.2 -0.830 25.5 135.5-114.8 159.3 35.7 99.8 33.8 368 368 A G - 0 0 24 -35,-0.5 -37,-2.0 -2,-0.3 6,-0.2 -0.782 39.4-122.2 163.4 148.1 36.6 99.3 37.4 369 369 A G - 0 0 21 1,-0.3 -38,-0.3 -2,-0.2 5,-0.2 0.090 58.2 -42.8 -92.0-151.1 39.2 99.8 40.0 370 370 A T S > S- 0 0 83 3,-0.2 3,-2.8 1,-0.2 -1,-0.3 -0.084 95.0 -8.9 -71.3 171.2 40.8 97.3 42.2 371 371 A D T 3 S+ 0 0 86 1,-0.4 -1,-0.2 2,-0.2 -41,-0.0 -0.122 133.1 11.0 -42.4 127.4 39.1 94.5 44.1 372 372 A P T > S+ 0 0 8 0, 0.0 3,-1.9 0, 0.0 -1,-0.4 -0.966 121.5 66.3 -93.0 8.9 36.2 94.3 44.3 373 373 A D G X S+ 0 0 87 -3,-2.8 3,-0.6 1,-0.3 -2,-0.2 0.738 97.6 55.5 -61.4 -24.2 35.6 97.0 41.6 374 374 A N G 3 S+ 0 0 0 -5,-0.2 -1,-0.3 1,-0.2 -3,-0.1 0.295 99.1 67.3 -87.3 9.5 37.0 95.0 38.8 375 375 A R G < + 0 0 12 -3,-1.9 -1,-0.2 -5,-0.2 -2,-0.1 -0.060 68.3 136.3-119.0 30.0 34.7 92.1 39.6 376 376 A A < - 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