==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE/DNA 12-OCT-05 2B9S . COMPND 2 MOLECULE: 5'-D(*AP*AP*AP*AP*AP*GP*AP*CP*TP*T)-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR D.R.DAVIES,W.G.J.HOL . 478 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24805.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 313 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 31 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 157 32.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 0 0 2 0 1 0 1 2 0 1 0 2 1 2 0 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 5 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 3 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 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 27 A D 0 0 159 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 26.7 32.0 77.8 28.0 2 28 A L - 0 0 109 1,-0.1 2,-0.2 2,-0.0 5,-0.0 -0.322 360.0 -99.3 -72.1 164.1 31.7 77.9 24.1 3 29 A N > - 0 0 90 1,-0.1 3,-1.7 -2,-0.1 4,-0.5 -0.581 40.2-106.8 -79.4 159.1 31.6 74.8 21.9 4 30 A W T 3 S+ 0 0 31 1,-0.3 6,-0.2 -2,-0.2 -1,-0.1 0.614 116.5 52.1 -75.3 -14.3 34.9 73.9 20.3 5 31 A W T 3 S+ 0 0 74 1,-0.2 -1,-0.3 465,-0.0 -3,-0.0 0.492 105.8 54.3-100.1 -7.3 34.0 75.1 16.8 6 32 A E S < S+ 0 0 107 -3,-1.7 -2,-0.2 0, 0.0 -1,-0.2 0.412 86.6 119.0 -94.1 -4.1 32.9 78.5 18.0 7 33 A Q - 0 0 95 -4,-0.5 3,-0.2 1,-0.1 -3,-0.0 -0.307 66.0-132.7 -61.1 145.5 36.3 78.8 19.6 8 34 A E S S- 0 0 99 1,-0.2 -1,-0.1 -2,-0.0 2,-0.1 0.998 84.9 -6.3 -63.7 -74.9 38.5 81.7 18.4 9 35 A N S S+ 0 0 97 2,-0.0 -1,-0.2 0, 0.0 2,-0.1 -0.384 79.4 168.3-129.0 57.4 42.0 80.2 17.8 10 36 A L - 0 0 67 -6,-0.2 2,-0.7 -3,-0.2 -6,-0.0 -0.430 30.2-137.0 -75.3 140.6 42.0 76.5 18.9 11 37 A R - 0 0 99 -2,-0.1 2,-0.5 0, 0.0 -1,-0.1 -0.883 15.6-150.5 -94.7 111.7 44.8 74.2 18.0 12 38 A I - 0 0 45 -2,-0.7 2,-0.2 226,-0.1 7,-0.0 -0.751 18.7-129.2 -81.1 124.1 43.4 70.8 17.0 13 39 A A - 0 0 29 -2,-0.5 2,-0.2 6,-0.1 3,-0.1 -0.501 20.8-140.2 -73.8 142.7 45.9 68.1 17.9 14 40 A M > - 0 0 53 -2,-0.2 3,-1.9 1,-0.2 -1,-0.1 -0.532 38.9 -63.2 -99.1 167.7 46.9 65.6 15.1 15 41 A K T 3 S+ 0 0 196 1,-0.2 -1,-0.2 -2,-0.2 3,-0.1 -0.219 122.9 17.4 -50.1 130.7 47.4 61.8 15.3 16 42 A G T 3 S+ 0 0 54 193,-0.8 -1,-0.2 1,-0.4 2,-0.1 0.169 103.8 103.5 89.5 -17.8 50.4 60.9 17.5 17 43 A E S < S- 0 0 106 -3,-1.9 -1,-0.4 1,-0.1 2,-0.3 -0.362 94.4 -65.7 -80.7 171.1 50.5 64.3 19.3 18 44 A R + 0 0 124 1,-0.2 191,-0.3 -2,-0.1 -1,-0.1 -0.456 55.5 177.7 -60.6 121.1 49.3 64.8 22.8 19 45 A R + 0 0 38 189,-3.9 2,-0.3 -2,-0.3 190,-0.2 0.705 56.0 11.4-106.6 -25.2 45.5 64.2 22.6 20 46 A W - 0 0 2 188,-0.9 -1,-0.2 1,-0.1 3,-0.1 -0.968 42.2-155.9-151.1 161.1 44.2 64.7 26.2 21 47 A E S S+ 0 0 107 1,-0.4 2,-0.4 -2,-0.3 -1,-0.1 0.700 88.6 21.5-106.3 -39.6 45.3 65.9 29.7 22 48 A T + 0 0 67 165,-0.1 122,-2.7 166,-0.1 -1,-0.4 -0.992 62.1 179.9-133.6 144.0 42.8 63.8 31.7 23 49 A L E +A 143 0A 2 -2,-0.4 164,-2.3 120,-0.2 2,-0.4 -0.946 3.4 173.3-146.1 122.1 40.9 60.7 30.9 24 50 A A E +A 142 0A 41 118,-2.0 118,-2.8 -2,-0.3 2,-0.3 -0.991 13.7 145.1-128.2 135.5 38.5 58.8 33.1 25 51 A H - 0 0 10 166,-0.4 116,-0.1 -2,-0.4 113,-0.1 -0.976 49.0-120.7-161.7 166.8 36.3 55.8 32.2 26 52 A N - 0 0 90 114,-0.5 2,-0.2 111,-0.3 168,-0.1 0.162 50.3-126.1-102.1 15.0 34.8 52.6 33.5 27 53 A G - 0 0 8 166,-0.1 -1,-0.3 111,-0.1 2,-0.3 -0.492 48.6 -28.0 79.1-140.4 36.4 50.0 31.1 28 54 A V - 0 0 5 -2,-0.2 2,-0.7 185,-0.1 126,-0.2 -0.797 42.4-123.9-125.2 151.5 34.4 47.5 29.1 29 55 A L B -c 154 0B 16 124,-2.7 126,-2.0 -2,-0.3 -2,-0.0 -0.863 29.0-151.8 -95.4 113.1 31.2 45.5 29.2 30 56 A F - 0 0 49 -2,-0.7 3,-0.1 124,-0.2 126,-0.1 -0.668 21.8-112.7 -81.7 134.0 32.0 41.7 28.9 31 57 A P - 0 0 35 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.230 49.4 -78.5 -59.8 159.5 29.2 39.6 27.3 32 58 A P - 0 0 114 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.228 53.1 -96.8 -59.7 146.2 27.6 37.0 29.6 33 59 A E - 0 0 89 1,-0.1 2,-0.1 -3,-0.1 -3,-0.0 -0.269 55.1 -84.2 -55.3 147.4 29.4 33.7 30.4 34 60 A Y - 0 0 66 -3,-0.1 -1,-0.1 1,-0.1 22,-0.0 -0.360 38.7-153.5 -59.7 131.6 28.3 30.8 28.2 35 61 A E - 0 0 76 -3,-0.1 -1,-0.1 -2,-0.1 -2,-0.0 -0.898 15.2-141.5-108.9 102.7 25.2 28.9 29.5 36 62 A P - 0 0 69 0, 0.0 17,-0.0 0, 0.0 15,-0.0 -0.294 13.4-163.9 -66.7 148.8 25.2 25.3 28.4 37 63 A H - 0 0 36 2,-0.1 -2,-0.0 15,-0.1 0, 0.0 0.544 28.4-135.2-103.6 -14.1 21.9 23.7 27.3 38 64 A G + 0 0 60 1,-0.2 13,-0.0 12,-0.1 12,-0.0 0.626 50.4 149.4 65.1 14.5 23.2 20.1 27.5 39 65 A I - 0 0 50 1,-0.0 -1,-0.2 10,-0.0 -2,-0.1 -0.682 37.8-139.8 -74.4 125.0 21.6 19.1 24.1 40 66 A P - 0 0 30 0, 0.0 2,-0.3 0, 0.0 65,-0.2 -0.298 4.2-139.3 -74.5 164.3 23.6 16.4 22.4 41 67 A I E -D 48 0C 0 7,-1.8 7,-3.1 63,-0.1 2,-0.5 -0.722 19.5-121.6-103.3 173.4 24.6 16.0 18.8 42 68 A F E -DE 47 101C 76 59,-1.9 59,-2.6 -2,-0.3 2,-0.5 -0.973 20.1-164.3-117.3 121.9 24.6 12.7 16.9 43 69 A Y E > S-DE 46 100C 23 3,-2.6 3,-2.8 -2,-0.5 57,-0.2 -0.925 77.7 -18.7-107.2 129.4 27.8 11.5 15.3 44 70 A D T 3 S- 0 0 117 55,-2.5 -1,-0.2 -2,-0.5 56,-0.1 0.839 130.3 -52.9 40.4 43.6 27.5 8.7 12.7 45 71 A G T 3 S+ 0 0 70 54,-0.4 2,-0.4 -3,-0.2 -1,-0.3 0.241 117.4 109.6 81.8 -11.4 24.0 8.0 14.3 46 72 A R E < S-D 43 0C 63 -3,-2.8 -3,-2.6 1,-0.1 -1,-0.2 -0.819 75.8-106.6-103.5 133.1 25.3 7.7 17.9 47 73 A E E -D 42 0C 112 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.249 35.6-161.2 -54.5 139.8 24.5 10.3 20.6 48 74 A F E -D 41 0C 16 -7,-3.1 -7,-1.8 44,-0.0 2,-0.3 -0.991 3.9-153.8-133.4 124.1 27.5 12.5 21.5 49 75 A K - 0 0 156 -2,-0.4 2,-0.3 -9,-0.2 -10,-0.0 -0.710 13.8-157.3 -96.6 149.4 27.9 14.6 24.6 50 76 A M - 0 0 27 -2,-0.3 -12,-0.1 -11,-0.1 37,-0.0 -0.932 20.5-116.4-129.4 145.6 30.0 17.7 24.9 51 77 A T > - 0 0 56 -2,-0.3 4,-2.8 1,-0.1 3,-0.5 -0.428 47.5-102.5 -61.5 152.5 31.8 19.8 27.4 52 78 A P H > S+ 0 0 72 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.803 124.2 54.2 -46.2 -37.0 30.3 23.4 27.6 53 79 A E H > S+ 0 0 88 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.876 112.4 41.1 -70.3 -42.9 33.3 24.6 25.6 54 80 A E H > S+ 0 0 2 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.863 115.8 52.4 -67.6 -40.8 32.7 22.1 22.7 55 81 A E H X S+ 0 0 5 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.827 104.6 54.3 -67.7 -38.4 29.0 22.7 22.9 56 82 A E H X S+ 0 0 31 -4,-2.0 4,-1.4 -5,-0.2 -1,-0.2 0.918 112.4 43.4 -62.2 -45.3 29.3 26.4 22.6 57 83 A V H X S+ 0 0 3 -4,-1.2 4,-1.3 2,-0.2 -2,-0.2 0.885 112.9 51.8 -70.9 -41.2 31.3 26.2 19.4 58 84 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.882 109.1 52.3 -54.0 -42.7 29.0 23.4 18.0 59 85 A T H X S+ 0 0 15 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.833 100.6 61.4 -68.1 -36.0 26.0 25.7 18.7 60 86 A M H < S+ 0 0 32 -4,-1.4 4,-0.3 2,-0.2 -1,-0.2 0.921 114.2 34.5 -55.4 -47.5 27.6 28.6 16.8 61 87 A F H >< S+ 0 0 0 -4,-1.3 3,-1.7 2,-0.2 -2,-0.2 0.930 114.4 56.4 -69.5 -53.9 27.6 26.5 13.6 62 88 A A H >< S+ 0 0 1 -4,-2.6 3,-1.0 1,-0.3 -2,-0.2 0.813 105.0 54.1 -46.9 -41.7 24.3 24.6 14.2 63 89 A V T 3< S+ 0 0 50 -4,-1.9 3,-0.4 1,-0.2 -1,-0.3 0.649 98.5 63.9 -72.1 -20.7 22.4 27.9 14.6 64 90 A M T X + 0 0 15 -3,-1.7 3,-1.9 -4,-0.3 6,-0.5 0.211 65.2 122.9 -91.5 14.8 23.7 29.1 11.2 65 91 A K T < S+ 0 0 86 -3,-1.0 -1,-0.2 1,-0.3 -2,-0.1 0.736 74.9 43.5 -48.9 -36.7 21.9 26.3 9.2 66 92 A E T 3 S+ 0 0 92 -3,-0.4 -1,-0.3 4,-0.0 2,-0.2 0.469 94.7 100.4 -94.4 0.2 19.9 28.7 7.0 67 93 A H S X S- 0 0 77 -3,-1.9 3,-1.0 1,-0.1 4,-0.4 -0.604 78.8-125.0 -87.5 145.8 22.8 31.0 6.2 68 94 A D G > S+ 0 0 128 1,-0.2 3,-1.1 -2,-0.2 4,-0.3 0.802 109.0 65.1 -54.7 -36.4 24.8 30.9 3.0 69 95 A Y G > S+ 0 0 26 1,-0.2 3,-1.8 2,-0.2 7,-0.3 0.863 90.4 65.4 -51.5 -42.0 28.0 30.5 5.0 70 96 A Y G < S+ 0 0 39 -3,-1.0 -1,-0.2 -6,-0.5 -2,-0.2 0.734 104.7 43.9 -57.1 -29.0 26.8 27.1 6.3 71 97 A R G < S+ 0 0 82 -3,-1.1 2,-0.4 -4,-0.4 -1,-0.3 0.328 89.6 104.5-100.5 1.8 27.0 25.6 2.8 72 98 A M <> - 0 0 74 -3,-1.8 4,-2.3 -4,-0.3 5,-0.2 -0.737 65.9-143.1 -85.4 130.3 30.4 27.1 1.9 73 99 A E H > S+ 0 0 125 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 0.850 98.6 50.5 -61.0 -37.0 33.3 24.7 2.0 74 100 A V H > S+ 0 0 45 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.911 112.1 47.9 -69.1 -42.0 35.9 27.1 3.3 75 101 A F H > S+ 0 0 0 -6,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.928 114.4 46.0 -60.0 -48.9 33.6 28.2 6.1 76 102 A R H X S+ 0 0 55 -4,-2.3 4,-2.1 -7,-0.3 -2,-0.2 0.863 113.3 49.9 -63.6 -41.8 32.7 24.5 7.0 77 103 A R H X S+ 0 0 138 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.913 111.8 46.6 -64.1 -45.6 36.4 23.5 6.9 78 104 A N H X S+ 0 0 27 -4,-2.4 4,-2.2 92,-0.4 95,-0.3 0.901 112.5 50.0 -69.5 -40.4 37.6 26.4 9.1 79 105 A F H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.932 110.8 49.8 -53.9 -50.6 34.8 25.8 11.7 80 106 A F H X S+ 0 0 31 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.862 110.8 49.1 -64.2 -38.7 35.6 22.0 11.8 81 107 A E H X S+ 0 0 55 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.936 113.9 46.2 -64.9 -46.9 39.3 22.7 12.3 82 108 A S H X S+ 0 0 11 -4,-2.2 4,-0.8 2,-0.2 -2,-0.2 0.919 114.7 47.4 -58.0 -46.2 38.6 25.2 15.1 83 109 A W H >X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 3,-0.7 0.897 109.7 52.7 -65.6 -45.3 36.1 22.8 16.7 84 110 A R H 3X S+ 0 0 66 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.754 99.3 63.2 -58.6 -34.1 38.5 19.8 16.5 85 111 A E H 3< S+ 0 0 139 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.837 111.8 38.6 -58.2 -36.4 41.2 21.8 18.3 86 112 A I H X< S+ 0 0 17 -4,-0.8 3,-1.4 -3,-0.7 -2,-0.2 0.923 118.4 47.1 -76.7 -50.7 38.9 21.9 21.3 87 113 A L H >< S+ 0 0 0 -4,-2.5 3,-1.7 1,-0.3 -2,-0.2 0.790 100.8 67.3 -60.6 -35.7 37.6 18.4 20.9 88 114 A D T 3< S+ 0 0 86 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.1 0.453 79.6 79.5 -72.7 -1.4 41.1 16.9 20.4 89 115 A K T < S+ 0 0 142 -3,-1.4 -1,-0.3 -5,-0.1 2,-0.2 0.702 105.5 26.4 -74.6 -19.6 41.9 17.8 24.1 90 116 A R S < S- 0 0 95 -3,-1.7 2,-0.4 -4,-0.2 0, 0.0 -0.704 102.2 -76.5-130.7-177.9 40.0 14.6 25.1 91 117 A Q + 0 0 89 -2,-0.2 -2,-0.1 2,-0.0 -3,-0.1 -0.714 61.6 144.6 -87.5 131.3 39.0 11.2 23.5 92 118 A H - 0 0 44 -2,-0.4 -44,-0.0 2,-0.1 -5,-0.0 -0.977 52.6-126.1-160.5 160.4 36.2 11.4 21.0 93 119 A P + 0 0 81 0, 0.0 2,-0.5 0, 0.0 -2,-0.0 0.343 62.4 126.9 -95.2 6.7 35.0 9.7 17.7 94 120 A I + 0 0 2 1,-0.2 3,-0.1 -7,-0.1 -2,-0.1 -0.496 14.9 138.3 -73.4 112.2 34.5 13.0 15.6 95 121 A R + 0 0 69 -2,-0.5 2,-0.4 1,-0.3 -1,-0.2 0.606 62.5 36.4-126.4 -21.0 36.5 12.6 12.3 96 122 A R > - 0 0 38 1,-0.1 3,-1.2 -16,-0.0 -1,-0.3 -0.982 58.3-147.2-145.3 125.8 34.2 14.0 9.6 97 123 A L G > S+ 0 0 23 -2,-0.4 3,-1.6 1,-0.2 -1,-0.1 0.771 98.4 68.1 -55.5 -34.1 31.8 17.0 9.6 98 124 A E G 3 S+ 0 0 91 1,-0.3 -1,-0.2 3,-0.0 0, 0.0 0.800 99.0 50.8 -58.9 -31.4 29.5 15.1 7.1 99 125 A L G < S+ 0 0 75 -3,-1.2 -55,-2.5 -55,-0.1 2,-0.5 0.398 88.5 100.5 -90.8 0.7 28.7 12.6 9.8 100 126 A C E < -E 43 0C 14 -3,-1.6 2,-0.6 -57,-0.2 -57,-0.2 -0.780 55.9-161.1 -89.2 128.5 27.8 15.2 12.5 101 127 A D E +E 42 0C 83 -59,-2.6 -59,-1.9 -2,-0.5 -3,-0.0 -0.927 13.8 175.6-113.9 110.5 24.0 15.8 12.9 102 128 A F >> + 0 0 9 -2,-0.6 4,-2.4 1,-0.2 3,-0.5 0.281 44.8 113.7 -94.1 8.5 23.4 19.2 14.6 103 129 A E H 3> + 0 0 59 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.835 69.9 54.2 -58.5 -44.0 19.6 18.9 14.4 104 130 A P H 3> S+ 0 0 40 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.920 113.8 44.1 -57.4 -39.4 18.7 18.6 18.1 105 131 A I H <> S+ 0 0 0 -3,-0.5 4,-2.6 -65,-0.2 -2,-0.2 0.934 112.6 51.4 -70.3 -44.5 20.7 21.9 18.8 106 132 A Y H X S+ 0 0 37 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.927 111.7 47.4 -52.2 -49.9 19.2 23.6 15.8 107 133 A Q H X S+ 0 0 84 -4,-3.0 4,-1.6 2,-0.2 -1,-0.2 0.896 109.0 53.9 -62.0 -41.7 15.7 22.7 16.9 108 134 A W H X S+ 0 0 80 -4,-2.2 4,-2.1 -5,-0.3 3,-0.3 0.925 107.8 52.0 -52.3 -48.1 16.6 23.9 20.5 109 135 A H H X S+ 0 0 51 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.838 106.8 52.0 -60.0 -37.3 17.6 27.2 18.9 110 136 A L H X S+ 0 0 72 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.805 109.6 50.1 -70.2 -32.3 14.2 27.6 17.1 111 137 A V H X S+ 0 0 92 -4,-1.6 4,-2.3 -3,-0.3 -2,-0.2 0.885 111.2 48.7 -68.7 -41.8 12.4 27.0 20.3 112 138 A Q H X S+ 0 0 88 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.850 111.0 49.8 -68.3 -36.8 14.5 29.7 22.1 113 139 A R H X S+ 0 0 48 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.857 111.1 49.3 -67.6 -40.4 13.9 32.2 19.2 114 140 A E H X S+ 0 0 54 -4,-1.5 4,-1.8 1,-0.2 -2,-0.2 0.924 109.2 52.5 -63.6 -44.8 10.1 31.5 19.4 115 141 A K H < S+ 0 0 60 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.782 111.1 47.9 -60.8 -28.9 10.2 32.0 23.2 116 142 A K H >< S+ 0 0 180 -4,-1.1 3,-0.8 1,-0.2 -1,-0.2 0.864 111.2 49.5 -80.1 -39.3 12.0 35.4 22.7 117 143 A L H 3< S+ 0 0 158 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.789 108.4 55.2 -66.7 -30.0 9.5 36.5 20.0 118 144 A S T 3< S+ 0 0 100 -4,-1.8 2,-0.2 -5,-0.1 -1,-0.2 -0.017 77.1 115.4-104.7 31.0 6.5 35.7 22.1 119 145 A R S < S- 0 0 53 -3,-0.8 -3,-0.0 1,-0.1 5,-0.0 -0.631 71.0-100.5 -87.3 156.1 7.2 37.7 25.3 120 146 A T > - 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0 0 0 -2,-0.4 3,-1.4 -57,-0.2 4,-1.0 -0.459 25.4-143.4 -55.2 120.4 31.6 67.8 3.8 443 225 B P H 3> S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.748 96.9 68.1 -67.5 -19.0 28.4 68.1 5.9 444 226 B R H 3> S+ 0 0 31 2,-0.2 4,-1.9 1,-0.2 34,-0.3 0.709 94.4 57.5 -66.7 -25.4 28.6 71.9 5.6 445 227 B I H <> S+ 0 0 5 -3,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.944 111.2 41.3 -68.0 -48.9 27.8 71.5 1.9 446 228 B I H X S+ 0 0 3 -4,-1.0 4,-2.3 2,-0.2 -2,-0.2 0.935 115.7 49.7 -61.6 -50.5 24.6 69.6 2.8 447 229 B C H X S+ 0 0 9 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.880 110.0 50.7 -59.1 -44.2 23.7 72.0 5.6 448 230 B S H X S+ 0 0 13 -4,-1.9 4,-2.0 2,-0.2 29,-0.2 0.917 113.5 44.1 -54.3 -50.8 24.2 75.2 3.5 449 231 B W H X S+ 0 0 36 -4,-1.7 4,-0.7 1,-0.2 6,-0.2 0.858 111.1 54.4 -69.1 -36.7 22.0 74.0 0.7 450 232 B A H <>S+ 0 0 7 -4,-2.3 5,-2.3 1,-0.2 -1,-0.2 0.813 112.9 42.3 -67.5 -32.3 19.3 72.8 3.1 451 233 B K H ><5S+ 0 0 70 -4,-1.5 3,-0.5 3,-0.2 -2,-0.2 0.809 113.2 52.7 -81.7 -32.1 19.0 76.2 4.7 452 234 B A H 3<5S+ 0 0 92 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.520 118.7 36.1 -80.2 -8.3 19.2 78.1 1.4 453 235 B Q T 3<5S- 0 0 51 -4,-0.7 -1,-0.2 2,-0.1 -2,-0.2 0.166 110.5-120.6-125.7 12.1 16.4 76.0 -0.0 454 236 B D T < 5 + 0 0 86 -3,-0.5 -3,-0.2 1,-0.2 -4,-0.1 0.794 58.3 152.4 47.6 38.4 14.5 75.7 3.3 455 237 B V < - 0 0 9 -5,-2.3 -1,-0.2 -6,-0.2 -2,-0.1 -0.837 51.1-112.4 -89.7 129.0 14.6 71.9 3.4 456 238 B P > - 0 0 80 0, 0.0 3,-1.6 0, 0.0 4,-0.1 -0.429 14.4-134.7 -63.1 135.2 14.5 70.6 7.0 457 239 B I G >> S+ 0 0 34 1,-0.3 4,-2.6 2,-0.2 3,-2.4 0.864 100.1 71.4 -51.9 -40.7 17.8 68.9 8.1 458 240 B N G 34 S+ 0 0 78 1,-0.3 -1,-0.3 2,-0.2 5,-0.1 0.549 89.8 59.6 -57.5 -13.4 15.8 66.0 9.6 459 241 B K G <4 S+ 0 0 57 -3,-1.6 -1,-0.3 3,-0.1 -2,-0.2 0.369 118.4 28.0 -97.9 3.5 14.9 64.7 6.1 460 242 B I T <4 S+ 0 0 36 -3,-2.4 2,-0.5 1,-0.4 -2,-0.2 0.611 123.8 41.3-126.4 -51.1 18.6 64.2 5.1 461 243 B F S < S- 0 0 3 -4,-2.6 -1,-0.4 4,-0.0 5,-0.0 -0.925 78.0-137.9-104.2 126.5 20.5 63.6 8.4 462 244 B S > - 0 0 68 -2,-0.5 4,-1.8 -3,-0.1 5,-0.2 -0.162 38.3 -91.2 -63.7 170.7 18.9 61.3 11.0 463 245 B A H > S+ 0 0 82 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.874 127.1 49.4 -49.4 -46.3 19.1 62.3 14.7 464 246 B T H > S+ 0 0 117 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.885 110.4 47.6 -68.5 -40.6 22.3 60.3 15.2 465 247 B I H > S+ 0 0 26 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.751 108.0 56.7 -77.9 -20.7 24.1 61.8 12.1 466 248 B Q H >< S+ 0 0 61 -4,-1.8 3,-0.5 2,-0.2 -1,-0.2 0.897 104.9 51.6 -67.3 -42.4 23.1 65.3 13.2 467 249 B K H 3< S+ 0 0 50 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.655 107.2 55.9 -67.8 -16.4 24.8 64.7 16.6 468 250 B K H 3< S+ 0 0 30 -4,-0.6 -1,-0.2 1,-0.2 3,-0.2 0.786 113.3 38.9 -78.4 -31.3 27.9 63.7 14.6 469 251 B F XX + 0 0 1 -4,-0.9 3,-2.1 -3,-0.5 4,-0.5 -0.175 65.3 134.3-118.9 40.2 28.1 67.0 12.7 470 252 B P T 34 S+ 0 0 40 0, 0.0 3,-0.5 0, 0.0 4,-0.3 0.748 73.7 61.1 -67.9 -22.9 27.1 69.8 15.2 471 253 B W T 34 S+ 0 0 17 1,-0.2 -2,-0.1 -3,-0.2 3,-0.0 0.525 109.5 43.2 -75.6 -6.9 30.1 71.9 14.0 472 254 B A T X4 S+ 0 0 2 -3,-2.1 3,-1.3 -6,-0.2 -1,-0.2 0.450 86.3 91.7-114.3 -6.7 28.5 71.9 10.5 473 255 B M T 3< S+ 0 0 62 -4,-0.5 -2,-0.1 -3,-0.5 -1,-0.1 0.732 71.8 70.8 -68.0 -23.4 24.8 72.6 11.4 474 256 B N T 3 S- 0 0 90 -4,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.388 79.4-170.1 -97.7 1.9 25.0 76.3 11.2 475 257 B A < - 0 0 25 -3,-1.3 2,-0.5 1,-0.1 -2,-0.1 0.555 6.0-174.5 46.0 78.4 25.4 76.1 7.5 476 258 B E - 0 0 75 1,-0.1 3,-0.2 -32,-0.0 -1,-0.1 -0.904 57.3 -61.8-127.0 103.1 26.2 79.5 6.1 477 259 B N S S- 0 0 100 -2,-0.5 2,-0.3 -29,-0.2 -32,-0.1 0.772 78.5-162.2 38.6 53.5 26.5 80.1 2.4 478 260 B F - 0 0 30 -34,-0.3 2,-0.6 -33,-0.1 -1,-0.2 -0.530 23.4-166.9 -92.6 126.8 29.2 77.6 2.3 479 261 B D 0 0 94 -2,-0.3 -34,-0.1 -3,-0.2 -1,-0.0 -0.929 360.0 360.0-108.7 110.8 31.8 77.2 -0.5 480 262 B F 0 0 6 -2,-0.6 -235,-0.0 -91,-0.1 -236,-0.0 -0.507 360.0 360.0 -63.6 360.0 33.8 74.0 -0.3