==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-DEC-07 3BMW . COMPND 2 MOLECULE: CYCLOMALTODEXTRIN GLUCANOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOANAEROBACTERIUM THERMOSULFURIGEN . AUTHOR H.J.ROZEBOOM,N.VAN OOSTERWIJK,B.W.DIJKSTRA . 683 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23091.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 435 63.7 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 . 121 17.7 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 . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.9 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 . 52 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 102 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.2 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 1 1 0 0 3 0 1 1 1 2 1 0 0 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 2 6 4 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 . 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 85 0, 0.0 543,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 142.7 49.3 4.4 42.3 2 2 A S > - 0 0 50 1,-0.1 3,-1.6 541,-0.1 6,-0.2 -0.320 360.0 -99.6 -84.2 169.3 51.8 6.9 40.9 3 3 A D T 3 S+ 0 0 2 1,-0.3 11,-0.2 516,-0.2 8,-0.1 0.754 122.5 56.6 -56.6 -26.5 51.5 9.1 37.7 4 4 A T T 3 S+ 0 0 36 395,-0.1 -1,-0.3 9,-0.1 396,-0.0 0.473 80.2 120.9 -88.6 -5.5 53.6 6.5 35.9 5 5 A A S X S- 0 0 23 -3,-1.6 3,-1.7 1,-0.1 0, 0.0 -0.257 71.2-123.9 -65.7 147.1 51.4 3.5 36.6 6 6 A V T 3 S+ 0 0 27 1,-0.3 -1,-0.1 121,-0.1 -3,-0.0 0.746 110.2 61.9 -60.7 -24.3 49.9 1.4 33.8 7 7 A S T 3 S+ 0 0 81 1,-0.1 2,-1.5 125,-0.1 -1,-0.3 0.564 76.5 94.1 -81.8 -10.0 46.4 2.0 35.2 8 8 A N X + 0 0 6 -3,-1.7 3,-0.7 1,-0.2 -1,-0.1 -0.654 50.0 166.5 -82.5 88.1 46.7 5.8 34.8 9 9 A V T 3 + 0 0 18 -2,-1.5 245,-2.7 1,-0.2 -1,-0.2 0.340 60.4 65.0 -95.6 8.5 44.9 5.9 31.5 10 10 A V T 3 S+ 0 0 12 243,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.369 98.6 56.9-106.2 3.7 44.3 9.7 31.2 11 11 A N < + 0 0 0 -3,-0.7 -1,-0.2 -8,-0.1 3,-0.1 -0.976 46.2 162.9-139.1 115.7 48.0 10.7 31.0 12 12 A Y > + 0 0 0 -2,-0.4 3,-1.9 307,-0.1 -1,-0.1 0.284 49.9 103.8-112.8 8.6 50.4 9.3 28.4 13 13 A S T 3 S+ 0 0 0 1,-0.3 -1,-0.1 342,-0.1 -9,-0.1 0.733 83.1 49.3 -67.3 -23.1 53.1 11.9 28.7 14 14 A T T 3 S+ 0 0 2 -11,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.376 104.6 84.5 -91.8 2.3 55.3 9.5 30.7 15 15 A D < - 0 0 1 -3,-1.9 2,-0.4 383,-0.1 56,-0.1 -0.550 64.4-145.5-104.9 164.0 54.8 6.8 28.0 16 16 A V - 0 0 1 -2,-0.2 56,-2.1 54,-0.2 57,-1.3 -0.983 22.4-147.3-127.3 120.1 56.3 5.7 24.7 17 17 A I E -ab 73 357A 0 339,-3.0 341,-2.8 -2,-0.4 2,-0.6 -0.680 4.2-155.6 -88.0 137.6 53.7 4.3 22.2 18 18 A Y E -ab 74 358A 1 55,-2.3 57,-2.0 -2,-0.3 2,-0.7 -0.972 15.5-144.2-111.5 115.7 54.7 1.6 19.7 19 19 A Q E -ab 75 359A 7 339,-3.0 341,-2.9 -2,-0.6 2,-0.4 -0.746 19.4-167.6 -87.8 116.0 52.3 1.7 16.7 20 20 A I - 0 0 1 55,-2.4 2,-0.9 -2,-0.7 3,-0.1 -0.828 23.2-149.8-106.5 135.3 51.6 -1.8 15.4 21 21 A V > - 0 0 9 -2,-0.4 3,-1.9 1,-0.2 4,-0.2 -0.908 24.0-153.4 -97.1 100.1 50.0 -2.7 12.1 22 22 A T G >> S+ 0 0 0 -2,-0.9 3,-1.5 1,-0.3 4,-0.6 0.841 87.1 49.3 -48.2 -50.6 48.4 -5.9 13.4 23 23 A D G 34 S+ 0 0 1 75,-0.5 29,-2.1 1,-0.3 -1,-0.3 0.730 115.6 45.8 -62.0 -22.9 48.2 -7.9 10.1 24 24 A R G <4 S+ 0 0 0 -3,-1.9 354,-2.6 27,-0.1 -1,-0.3 0.148 104.0 63.9-111.4 17.0 51.9 -7.0 9.3 25 25 A F T <4 S- 0 0 5 -3,-1.5 2,-0.4 1,-0.2 -2,-0.1 0.807 108.7 -18.9-105.2 -82.0 53.5 -7.8 12.7 26 26 A V < - 0 0 27 -4,-0.6 27,-2.5 27,-0.3 2,-1.3 -0.990 44.9-142.4-138.4 128.1 53.4 -11.4 13.8 27 27 A D + 0 0 39 -2,-0.4 25,-0.2 25,-0.3 3,-0.2 -0.730 30.9 168.3 -83.7 91.1 51.1 -14.3 12.7 28 28 A G + 0 0 25 -2,-1.3 2,-0.3 1,-0.2 -1,-0.2 0.633 67.4 31.9 -83.6 -16.0 50.7 -15.9 16.2 29 29 A N > - 0 0 65 22,-0.4 3,-0.7 -3,-0.1 -1,-0.2 -0.888 57.7-171.7-144.7 113.3 47.8 -18.2 15.1 30 30 A T G > S+ 0 0 104 -2,-0.3 3,-1.7 1,-0.2 -1,-0.1 0.783 81.7 70.5 -73.6 -26.2 47.6 -19.7 11.6 31 31 A S G 3 S+ 0 0 102 1,-0.3 -1,-0.2 0, 0.0 -2,-0.0 0.733 96.4 53.1 -66.1 -22.6 44.1 -21.2 12.2 32 32 A N G < S+ 0 0 29 -3,-0.7 -1,-0.3 19,-0.1 -2,-0.2 0.446 83.7 118.0 -89.4 -2.1 42.5 -17.7 12.3 33 33 A N S < S- 0 0 19 -3,-1.7 6,-0.1 -4,-0.1 80,-0.0 -0.318 71.5-108.8 -62.1 145.1 44.1 -16.7 8.9 34 34 A P - 0 0 3 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.278 32.6-137.8 -64.0 163.0 41.7 -15.9 6.0 35 35 A T > + 0 0 122 5,-0.0 3,-0.8 3,-0.0 2,-0.0 -0.799 58.0 12.8-118.0 164.1 41.5 -18.4 3.2 36 36 A G G > S- 0 0 58 -2,-0.3 3,-1.8 1,-0.2 0, 0.0 -0.331 123.3 -12.7 74.0-150.6 41.3 -17.8 -0.6 37 37 A D G 3 S+ 0 0 126 1,-0.3 -1,-0.2 3,-0.1 57,-0.1 0.636 125.9 69.2 -66.7 -16.2 42.1 -14.5 -2.3 38 38 A L G < S+ 0 0 16 -3,-0.8 11,-2.9 10,-0.1 2,-0.4 0.785 96.1 64.7 -66.4 -27.5 42.0 -12.6 1.0 39 39 A Y B < -g 49 0B 55 -3,-1.8 11,-0.2 9,-0.2 -1,-0.0 -0.830 52.6-175.6-115.4 133.8 45.2 -14.2 2.2 40 40 A D > - 0 0 19 9,-2.7 3,-1.5 -2,-0.4 5,-0.1 -0.877 1.1-176.1-123.5 100.1 48.8 -14.2 1.0 41 41 A P T 3 S+ 0 0 79 0, 0.0 -1,-0.1 0, 0.0 9,-0.1 0.701 82.5 65.4 -68.4 -17.2 51.0 -16.6 3.0 42 42 A T T 3 S- 0 0 89 1,-0.0 8,-0.1 3,-0.0 -2,-0.0 0.618 97.4-137.7 -77.4 -14.3 54.1 -15.3 1.0 43 43 A H S < S+ 0 0 66 -3,-1.5 334,-0.4 6,-0.2 7,-0.1 0.856 75.4 103.0 58.2 40.2 53.8 -11.8 2.5 44 44 A T + 0 0 103 1,-0.1 2,-1.0 332,-0.1 -1,-0.1 0.624 49.9 80.0-122.8 -25.3 54.5 -10.2 -0.8 45 45 A S S > S- 0 0 33 1,-0.1 3,-2.1 4,-0.1 -1,-0.1 -0.782 74.4-151.6 -90.6 100.6 51.2 -8.9 -2.3 46 46 A L T 3 S+ 0 0 26 -2,-1.0 -1,-0.1 1,-0.3 4,-0.1 0.364 82.7 49.1 -72.9 1.7 51.0 -5.8 -0.2 47 47 A K T 3 S+ 0 0 42 47,-0.3 49,-2.1 45,-0.3 51,-0.4 0.218 93.6 91.7-116.9 14.4 47.2 -5.2 0.1 48 48 A K S < S- 0 0 30 -3,-2.1 2,-0.4 47,-0.2 -9,-0.2 -0.594 90.1 -90.0 -96.0 163.6 46.3 -8.8 1.2 49 49 A Y B -g 39 0B 0 -11,-2.9 -9,-2.7 -2,-0.2 -6,-0.2 -0.642 33.9-171.5 -67.0 126.6 46.0 -10.2 4.7 50 50 A F - 0 0 0 -2,-0.4 -1,-0.1 -11,-0.2 -23,-0.1 0.553 46.3-109.7 -95.4 -14.5 49.4 -11.5 5.7 51 51 A G + 0 0 3 1,-0.3 -22,-0.4 -19,-0.1 -23,-0.2 0.425 60.3 154.6 104.2 1.6 47.9 -13.1 8.9 52 52 A G + 0 0 1 -29,-2.1 -25,-0.3 -25,-0.2 -1,-0.3 -0.353 21.8 169.1 -61.8 141.4 49.3 -11.0 11.7 53 53 A D > - 0 0 0 -27,-2.5 4,-1.4 -30,-0.1 -27,-0.3 -0.809 49.8 -86.6-149.1 179.8 47.1 -11.1 14.7 54 54 A W H > S+ 0 0 0 59,-2.2 4,-2.6 -2,-0.2 5,-0.1 0.859 121.3 57.8 -68.1 -34.7 46.6 -10.3 18.4 55 55 A Q H > S+ 0 0 55 58,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.893 103.3 55.5 -58.9 -41.0 48.2 -13.6 19.5 56 56 A G H > S+ 0 0 0 -30,-0.5 4,-1.4 2,-0.2 -1,-0.2 0.894 107.8 47.1 -57.7 -42.4 51.3 -12.4 17.6 57 57 A I H X S+ 0 0 0 -4,-1.4 4,-1.2 -31,-0.2 3,-0.3 0.934 109.1 55.1 -65.6 -44.7 51.4 -9.2 19.6 58 58 A I H >X S+ 0 0 6 -4,-2.6 4,-2.9 1,-0.2 3,-0.7 0.911 104.7 54.8 -50.6 -45.7 51.0 -11.2 22.8 59 59 A N H 3X S+ 0 0 61 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.872 107.4 48.5 -58.0 -40.9 54.0 -13.3 21.9 60 60 A K H 3< S+ 0 0 27 -4,-1.4 6,-1.8 -3,-0.3 5,-0.5 0.621 112.5 49.1 -80.0 -13.7 56.2 -10.2 21.5 61 61 A I H X< S+ 0 0 0 -4,-1.2 3,-1.1 -3,-0.7 6,-0.3 0.892 113.9 44.9 -80.6 -50.7 55.0 -8.8 24.9 62 62 A N H 3< S+ 0 0 93 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.829 111.5 52.9 -62.6 -34.5 55.7 -12.1 26.7 63 63 A D T 3< S- 0 0 94 -4,-2.0 -1,-0.2 -5,-0.2 -3,-0.1 0.412 111.4-114.8 -90.2 3.6 59.1 -12.7 25.1 64 64 A G S <> S+ 0 0 27 -3,-1.1 4,-2.1 -5,-0.1 -3,-0.1 0.459 78.4 122.6 87.4 2.1 60.5 -9.3 26.0 65 65 A Y T 4 S+ 0 0 8 -5,-0.5 4,-0.4 -6,-0.2 -4,-0.2 0.958 84.0 34.2 -61.1 -50.8 61.0 -7.7 22.6 66 66 A L T >4>S+ 0 0 0 -6,-1.8 5,-1.9 1,-0.2 3,-1.2 0.930 120.6 47.1 -72.7 -46.3 58.8 -4.7 23.3 67 67 A T G >45S+ 0 0 59 -7,-0.4 3,-1.2 -6,-0.3 -1,-0.2 0.854 105.7 61.0 -64.4 -32.1 59.6 -4.3 27.0 68 68 A G G 3<5S+ 0 0 17 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.672 105.1 49.7 -67.7 -16.4 63.3 -4.6 26.2 69 69 A M G < 5S- 0 0 0 -3,-1.2 326,-0.3 -4,-0.4 -1,-0.3 0.480 119.4-111.0 -95.7 -11.6 62.9 -1.5 24.1 70 70 A G T < 5 + 0 0 16 -3,-1.2 2,-0.3 -4,-0.4 -3,-0.2 0.656 59.3 160.8 83.2 17.1 61.2 0.5 26.8 71 71 A V < + 0 0 5 -5,-1.9 -1,-0.3 1,-0.1 -54,-0.2 -0.551 13.0 173.7 -65.8 131.0 57.8 0.5 25.0 72 72 A T + 0 0 22 -56,-2.1 60,-2.2 -2,-0.3 2,-0.3 0.337 62.1 31.7-123.3 2.9 55.0 1.2 27.6 73 73 A A E -ac 17 132A 0 -57,-1.3 -55,-2.3 58,-0.3 2,-0.4 -0.980 61.8-153.3-154.5 149.0 52.0 1.5 25.3 74 74 A I E -ac 18 133A 0 58,-2.7 60,-3.3 -2,-0.3 2,-0.5 -0.973 3.5-156.6-123.3 143.4 50.8 0.0 22.0 75 75 A W E -ac 19 134A 4 -57,-2.0 -55,-2.4 -2,-0.4 60,-0.2 -0.984 20.5-174.8-117.3 116.7 48.5 1.5 19.4 76 76 A I E - c 0 135A 0 58,-2.5 60,-2.0 -2,-0.5 152,-0.2 -0.749 29.1 -92.7-109.9 156.4 46.8 -1.1 17.2 77 77 A P - 0 0 8 0, 0.0 23,-0.1 0, 0.0 -1,-0.1 -0.121 67.1 -60.5 -62.9 165.7 44.5 -0.8 14.2 78 78 A Q - 0 0 0 21,-0.3 59,-0.2 1,-0.2 24,-0.1 -0.224 48.4-154.6 -50.0 124.4 40.7 -0.7 14.5 79 79 A P + 0 0 0 0, 0.0 31,-2.1 0, 0.0 -1,-0.2 0.457 55.2 110.3 -84.5 -1.5 39.8 -4.1 16.1 80 80 A V E S-H 109 0C 0 29,-0.3 29,-0.3 20,-0.2 26,-0.2 -0.289 83.1 -78.3 -82.1 159.3 36.2 -4.2 14.7 81 81 A E E -H 105 0C 20 27,-1.8 23,-3.2 24,-1.2 24,-1.8 -0.309 54.3-165.0 -56.3 129.2 34.8 -6.6 12.1 82 82 A N E -H 103 0C 1 21,-0.3 21,-0.2 22,-0.2 61,-0.1 -0.648 28.9 -73.4-112.4 169.1 35.8 -5.4 8.6 83 83 A I - 0 0 0 19,-2.0 14,-0.5 -2,-0.2 -1,-0.1 -0.246 27.9-153.3 -65.0 152.7 34.6 -6.2 5.1 84 84 A Y + 0 0 62 12,-0.1 -1,-0.1 2,-0.1 2,-0.1 0.514 57.7 112.3-103.5 -12.2 35.5 -9.6 3.5 85 85 A A - 0 0 24 1,-0.1 2,-0.6 11,-0.0 12,-0.3 -0.354 62.0-138.0 -66.7 141.9 35.3 -8.5 -0.1 86 86 A V - 0 0 51 10,-0.1 10,-0.2 67,-0.1 67,-0.1 -0.927 23.1-148.1-100.5 115.5 38.5 -8.5 -2.2 87 87 A L E -K 95 0D 8 8,-2.9 8,-2.4 -2,-0.6 65,-0.0 -0.622 22.3-101.8 -89.0 141.0 38.4 -5.3 -4.3 88 88 A P E -K 94 0D 116 0, 0.0 2,-0.3 0, 0.0 6,-0.2 -0.302 39.9-176.9 -58.9 143.2 40.0 -5.2 -7.7 89 89 A D E > -K 93 0D 32 4,-1.3 4,-1.6 1,-0.1 -42,-0.0 -0.932 22.5-153.9-147.2 120.1 43.4 -3.4 -7.9 90 90 A S T 4 S+ 0 0 132 -2,-0.3 -1,-0.1 1,-0.2 4,-0.0 0.675 97.5 35.4 -69.2 -19.3 45.4 -2.9 -11.1 91 91 A T T 4 S+ 0 0 96 1,-0.0 -1,-0.2 2,-0.0 -2,-0.0 0.819 129.7 28.0 -99.7 -42.4 48.8 -2.8 -9.3 92 92 A F T 4 S- 0 0 31 1,-0.1 2,-1.8 -47,-0.1 -45,-0.3 0.309 95.6-124.7-109.3 6.8 48.3 -5.3 -6.5 93 93 A G E < S+K 89 0D 64 -4,-1.6 -4,-1.3 2,-0.0 2,-0.3 -0.379 86.3 16.5 83.8 -58.6 45.8 -7.7 -8.0 94 94 A G E -K 88 0D 3 -2,-1.8 2,-0.4 -6,-0.2 -47,-0.3 -0.974 65.7-145.2-144.9 154.5 43.4 -7.3 -5.1 95 95 A S E -K 87 0D 14 -8,-2.4 -8,-2.9 -2,-0.3 2,-0.2 -0.993 23.9-178.3-127.2 129.0 42.8 -4.9 -2.1 96 96 A T - 0 0 0 -49,-2.1 3,-0.5 -2,-0.4 -10,-0.1 -0.700 41.9-103.5-125.2 173.1 41.6 -6.1 1.3 97 97 A S S > S+ 0 0 0 -14,-0.5 3,-2.5 -12,-0.3 5,-0.3 0.117 72.1 126.8 -83.3 21.5 40.6 -4.8 4.7 98 98 A Y T 3 + 0 0 3 -51,-0.4 -75,-0.5 1,-0.3 -1,-0.2 0.752 69.0 60.0 -50.3 -27.9 43.9 -6.0 6.3 99 99 A H T 3 S- 0 0 20 -3,-0.5 -21,-0.3 -52,-0.1 -1,-0.3 0.581 104.6-128.9 -83.2 -13.7 44.4 -2.5 7.7 100 100 A G S < S+ 0 0 0 -3,-2.5 -20,-0.2 -23,-0.1 -2,-0.1 0.359 77.2 110.6 89.0 -4.1 41.2 -2.5 9.7 101 101 A Y + 0 0 24 1,-0.2 2,-0.6 36,-0.1 40,-0.1 0.377 58.0 77.5 -89.8 3.5 39.8 0.9 8.5 102 102 A W S S- 0 0 33 -5,-0.3 -19,-2.0 -22,-0.1 41,-0.2 -0.635 72.4-168.6-112.9 70.6 36.8 -0.6 6.5 103 103 A A E +H 82 0C 0 39,-0.8 -21,-0.3 -2,-0.6 3,-0.1 -0.252 27.4 169.3 -65.7 142.4 34.3 -1.5 9.3 104 104 A R E S+ 0 0 41 -23,-3.2 55,-3.0 1,-0.2 2,-0.3 0.528 81.3 18.1-116.6 -22.7 31.2 -3.6 8.8 105 105 A D E > -Hi 81 159C 0 -24,-1.8 3,-1.2 53,-0.2 -24,-1.2 -0.816 56.7-168.6-152.4 106.0 30.3 -4.0 12.5 106 106 A F E 3 S+ 0 0 0 53,-0.5 54,-0.1 -2,-0.3 112,-0.1 0.544 88.4 58.2 -72.8 -6.1 31.7 -1.8 15.2 107 107 A K E 3 S+ 0 0 33 52,-0.3 2,-0.3 2,-0.1 -1,-0.2 0.442 101.8 57.5-104.1 -2.0 30.4 -4.1 18.0 108 108 A R E < S- 0 0 101 -3,-1.2 -27,-1.8 -27,-0.1 -3,-0.2 -0.830 83.1-106.7-123.9 163.5 32.2 -7.3 16.9 109 109 A T E -H 80 0C 18 -29,-0.3 -29,-0.3 -2,-0.3 -28,-0.1 -0.464 30.9-106.7 -83.7 159.3 35.9 -8.2 16.3 110 110 A N >> - 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0 0 0 -56,-2.4 -57,-1.6 -2,-0.3 2,-0.5 -0.445 36.8-132.5 -61.5 110.8 30.6 5.4 2.7 200 200 A D E -L 141 0E 0 -2,-0.5 -23,-2.4 -23,-0.4 -59,-0.3 -0.536 15.4-132.3 -76.9 119.0 30.3 8.5 4.9 201 201 A L B -M 176 0F 0 -61,-2.2 2,-1.1 -2,-0.5 -25,-0.3 -0.427 7.7-134.8 -69.5 139.9 28.3 7.9 8.1 202 202 A N > + 0 0 28 -27,-3.1 3,-1.4 1,-0.2 6,-0.3 -0.779 24.8 178.8 -93.9 89.7 25.6 10.4 9.1 203 203 A Q T 3 S+ 0 0 3 -2,-1.1 6,-0.2 1,-0.3 -1,-0.2 0.651 75.1 68.8 -67.5 -15.7 26.4 10.9 12.8 204 204 A Q T 3 S+ 0 0 14 -3,-0.1 2,-0.3 4,-0.1 -1,-0.3 0.716 76.2 97.4 -76.3 -21.1 23.5 13.4 13.0 205 205 A N S <> S- 0 0 30 -3,-1.4 4,-2.7 -31,-0.1 3,-0.3 -0.563 80.3-135.9 -65.3 125.2 21.1 10.5 12.5 206 206 A S H > S+ 0 0 48 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.820 102.3 53.4 -59.3 -35.4 19.9 9.6 16.0 207 207 A T H > S+ 0 0 61 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.911 112.4 44.7 -63.7 -42.5 20.3 5.8 15.4 208 208 A I H > S+ 0 0 0 -3,-0.3 4,-2.8 -6,-0.3 5,-0.3 0.925 112.5 50.2 -69.9 -44.7 23.9 6.3 14.2 209 209 A D H X S+ 0 0 1 -4,-2.7 4,-2.0 -7,-0.2 -2,-0.2 0.940 115.6 43.6 -55.5 -48.9 24.8 8.6 17.1 210 210 A S H X S+ 0 0 58 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.887 113.0 52.9 -65.6 -40.3 23.4 6.1 19.6 211 211 A Y H X S+ 0 0 7 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.911 109.9 46.3 -60.3 -47.9 25.0 3.2 17.7 212 212 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.884 112.4 50.7 -66.8 -38.7 28.5 4.7 17.8 213 213 A K H X S+ 0 0 22 -4,-2.0 4,-1.4 -5,-0.3 -2,-0.2 0.931 113.4 45.7 -61.6 -45.5 28.2 5.7 21.5 214 214 A S H X S+ 0 0 50 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.904 111.7 53.6 -62.5 -42.0 27.1 2.1 22.3 215 215 A A H X S+ 0 0 0 -4,-2.7 4,-1.3 1,-0.2 3,-0.5 0.918 106.3 49.0 -63.1 -47.1 29.9 0.6 20.1 216 216 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.868 107.3 58.0 -64.9 -30.1 32.8 2.5 21.8 217 217 A K H X S+ 0 0 63 -4,-1.4 4,-2.4 1,-0.2 -1,-0.2 0.827 97.9 60.2 -66.8 -31.8 31.4 1.4 25.2 218 218 A V H < S+ 0 0 41 -4,-1.3 4,-0.5 -3,-0.5 -1,-0.2 0.937 110.6 41.5 -55.8 -45.5 31.7 -2.2 24.0 219 219 A W H ><>S+ 0 0 0 -4,-1.3 5,-1.4 2,-0.2 3,-0.7 0.872 110.8 54.6 -75.7 -37.4 35.5 -1.5 23.7 220 220 A L H ><5S+ 0 0 1 -4,-2.5 3,-1.6 1,-0.2 -1,-0.2 0.909 107.0 53.2 -58.1 -39.4 35.7 0.5 26.9 221 221 A D T 3<5S+ 0 0 105 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.655 99.1 63.2 -72.1 -15.2 34.2 -2.6 28.6 222 222 A M T < 5S- 0 0 46 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 0.437 122.7-106.9 -84.0 -4.1 36.9 -4.7 27.1 223 223 A G T < 5 + 0 0 23 -3,-1.6 -90,-0.2 -4,-0.2 -3,-0.2 0.676 54.6 171.6 91.0 20.6 39.4 -2.6 29.1 224 224 A I < - 0 0 0 -5,-1.4 -1,-0.2 1,-0.1 -90,-0.2 -0.214 24.5-153.3 -58.9 153.2 41.1 -0.4 26.5 225 225 A D + 0 0 6 -92,-2.8 29,-0.8 1,-0.3 2,-0.3 0.416 68.1 0.2-109.7 -4.3 43.4 2.3 27.8 226 226 A G E -de 134 254A 0 -93,-0.9 -91,-2.1 27,-0.2 2,-0.4 -0.972 57.9-132.3-176.4 164.8 43.1 4.8 25.0 227 227 A I E -de 135 255A 0 27,-2.1 29,-2.5 -2,-0.3 2,-0.6 -0.998 1.2-159.0-135.4 129.8 41.6 5.6 21.6 228 228 A R E -de 136 256A 0 -93,-2.6 -91,-2.0 -2,-0.4 2,-0.6 -0.963 25.5-147.7-102.7 114.0 43.1 7.0 18.4 229 229 A L E > -de 137 257A 0 27,-2.0 29,-2.7 -2,-0.6 3,-0.5 -0.746 12.5-132.3 -92.2 123.3 40.2 8.5 16.5 230 230 A D T 3 S- 0 0 13 -93,-2.8 -90,-0.2 -2,-0.6 4,-0.1 -0.455 71.8 -5.0 -77.9 139.4 40.5 8.2 12.8 231 231 A A T > + 0 0 1 -2,-0.2 3,-2.0 1,-0.1 -1,-0.2 0.836 66.4 169.4 56.9 48.4 39.9 11.1 10.3 232 232 A V G X S+ 0 0 0 26,-1.4 3,-0.8 -3,-0.5 27,-0.2 0.679 71.7 64.9 -72.8 -16.6 38.7 13.7 12.8 233 233 A K G 3 S+ 0 0 39 25,-0.7 -1,-0.3 1,-0.2 26,-0.1 0.607 98.2 59.7 -73.3 -8.1 38.9 16.5 10.2 234 234 A H G < S+ 0 0 11 -3,-2.0 -1,-0.2 -4,-0.1 -2,-0.2 0.323 97.5 62.5-106.5 4.6 36.1 14.6 8.4 235 235 A M S < S- 0 0 0 -3,-0.8 -43,-0.1 -4,-0.1 -95,-0.1 -0.919 96.8 -86.9-125.2 155.6 33.5 14.7 11.1 236 236 A P > - 0 0 7 0, 0.0 4,-2.1 0, 0.0 5,-0.2 -0.325 26.2-135.6 -62.5 139.2 31.7 17.7 12.7 237 237 A F H > S+ 0 0 17 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.939 106.4 53.6 -52.2 -49.4 33.5 19.3 15.7 238 238 A G H > S+ 0 0 2 398,-0.8 4,-2.0 1,-0.2 399,-0.2 0.893 108.1 48.0 -57.8 -43.6 30.1 19.4 17.5 239 239 A W H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.923 112.5 49.1 -64.4 -41.8 29.4 15.8 17.0 240 240 A Q H X S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 -2,-0.2 0.852 108.3 52.1 -70.2 -34.6 32.9 14.7 18.2 241 241 A K H X S+ 0 0 13 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.926 112.5 47.6 -61.3 -44.0 32.7 16.9 21.3 242 242 A N H X S+ 0 0 1 -4,-2.0 4,-1.5 -5,-0.2 -2,-0.2 0.920 112.9 48.4 -59.0 -45.8 29.4 15.2 22.0 243 243 A F H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.916 109.8 52.0 -63.4 -46.1 31.0 11.8 21.3 244 244 A M H X S+ 0 0 1 -4,-3.1 4,-3.0 1,-0.2 5,-0.2 0.901 105.9 54.2 -57.7 -42.9 33.9 12.6 23.6 245 245 A D H X S+ 0 0 3 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.882 105.3 54.0 -60.5 -36.8 31.6 13.5 26.4 246 246 A S H X S+ 0 0 19 -4,-1.5 4,-0.9 2,-0.2 -1,-0.2 0.927 112.9 43.2 -60.6 -45.7 29.9 10.1 26.1 247 247 A I H >X S+ 0 0 1 -4,-1.9 4,-2.5 1,-0.2 3,-0.8 0.952 115.6 47.3 -62.9 -51.8 33.3 8.3 26.5 248 248 A L H 3< S+ 0 0 8 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.790 110.6 52.1 -68.0 -29.3 34.5 10.6 29.3 249 249 A S H 3< S+ 0 0 48 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.721 115.8 41.6 -73.8 -24.3 31.2 10.2 31.3 250 250 A Y H << S- 0 0 108 -4,-0.9 -2,-0.2 -3,-0.8 -3,-0.1 0.928 141.9 -29.1 -90.0 -58.1 31.4 6.4 31.0 251 251 A R S < S- 0 0 76 -4,-2.5 -2,-0.2 -5,-0.1 -1,-0.2 -0.687 70.4-129.8-160.9 106.9 35.1 5.7 31.7 252 252 A P + 0 0 39 0, 0.0 2,-0.3 0, 0.0 -243,-0.2 -0.358 32.6 168.2 -67.8 134.6 37.6 8.4 30.7 253 253 A V - 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