==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 08-AUG-12 4GIA . COMPND 2 MOLECULE: SUCROSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHIZOBIUM; . AUTHOR A.LIPSKI,R.HASER,N.AGHAJARI . 1110 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41717.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 718 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 111 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 46 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 167 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 244 22.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 1.7 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 8 6 3 3 0 0 2 4 2 3 1 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 4 8 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 . 10 4 1 5 2 2 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 . 6 2 0 2 0 0 2 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 4 A A 0 0 121 0, 0.0 5,-0.1 0, 0.0 474,-0.0 0.000 360.0 360.0 360.0 131.2 -32.5 25.2 48.4 2 5 A P >> - 0 0 54 0, 0.0 3,-1.4 0, 0.0 4,-0.6 -0.213 360.0-110.9 -66.3 157.4 -32.3 25.4 52.2 3 6 A W H >> S+ 0 0 57 1,-0.3 3,-0.9 2,-0.2 4,-0.8 0.833 115.0 60.9 -52.7 -35.5 -34.8 27.4 54.3 4 7 A W H 34 S+ 0 0 32 1,-0.2 -1,-0.3 2,-0.2 5,-0.1 0.764 94.0 62.4 -71.7 -21.6 -32.1 30.0 55.3 5 8 A K H <4 S+ 0 0 44 -3,-1.4 351,-0.2 1,-0.2 -1,-0.2 0.762 114.7 32.7 -71.3 -24.6 -31.5 31.0 51.6 6 9 A S H << S+ 0 0 67 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.2 0.423 99.5 108.9-110.7 -0.1 -35.1 32.3 51.3 7 10 A A < - 0 0 3 -4,-0.8 2,-0.5 -3,-0.1 36,-0.1 -0.352 60.6-138.7 -76.3 153.0 -35.6 33.5 54.9 8 11 A V - 0 0 5 34,-0.2 36,-2.3 349,-0.1 37,-1.2 -0.984 24.7-161.4-110.4 119.5 -35.8 37.1 56.1 9 12 A F E -ab 45 359A 2 349,-2.5 351,-2.5 -2,-0.5 2,-0.4 -0.697 8.7-157.1-101.4 153.4 -33.9 37.6 59.4 10 13 A Y E -ab 46 360A 0 35,-1.8 37,-2.4 -2,-0.3 2,-0.6 -0.986 14.3-137.5-127.9 135.8 -34.2 40.4 62.0 11 14 A Q E -ab 47 361A 2 349,-2.7 351,-2.1 -2,-0.4 2,-0.5 -0.868 16.3-164.2 -99.7 123.3 -31.4 41.3 64.4 12 15 A V E -a 48 0A 0 35,-2.6 37,-2.0 -2,-0.6 3,-0.1 -0.929 13.1-161.7-107.2 122.0 -32.4 42.1 68.0 13 16 A Y > - 0 0 2 -2,-0.5 3,-2.4 35,-0.2 4,-0.4 -0.855 17.0-160.6 -93.9 94.1 -30.0 43.8 70.3 14 17 A P G >> S+ 0 0 2 0, 0.0 3,-1.1 0, 0.0 4,-0.7 0.800 82.5 64.4 -60.9 -29.7 -31.8 42.7 73.5 15 18 A R G 34 S+ 0 0 23 1,-0.3 11,-3.0 44,-0.1 419,-0.2 0.783 116.7 29.2 -55.2 -30.1 -30.3 45.4 75.7 16 19 A S G <4 S+ 0 0 0 -3,-2.4 402,-2.6 9,-0.2 -1,-0.3 0.234 104.8 78.0-119.6 12.8 -32.0 48.0 73.6 17 20 A F T <4 S- 0 0 2 -3,-1.1 2,-0.3 -4,-0.4 -2,-0.1 0.960 105.1 -19.6 -91.0 -67.2 -35.2 46.3 72.4 18 21 A K < - 0 0 34 -4,-0.7 9,-2.2 9,-0.2 2,-0.4 -0.888 51.4-157.2-153.0 118.8 -37.8 46.2 75.2 19 22 A D + 0 0 5 409,-2.0 7,-0.2 7,-0.3 411,-0.1 -0.782 10.7 177.8 -91.1 135.1 -37.4 46.5 79.0 20 23 A T S S+ 0 0 51 -2,-0.4 -1,-0.1 5,-0.3 6,-0.1 0.233 73.1 47.5-121.4 11.8 -40.2 45.0 81.2 21 24 A N S S- 0 0 106 4,-0.3 -1,-0.1 0, 0.0 408,-0.1 0.193 102.7-108.5-140.5 21.2 -38.9 45.7 84.8 22 25 A G S S+ 0 0 26 1,-0.1 410,-0.5 409,-0.1 407,-0.1 0.488 82.7 116.3 70.8 7.7 -37.9 49.4 85.0 23 26 A D S S- 0 0 69 2,-0.3 -1,-0.1 408,-0.2 3,-0.1 0.473 85.1-114.7 -87.4 3.9 -34.1 49.0 85.2 24 27 A G S S+ 0 0 0 1,-0.2 410,-2.4 409,-0.1 2,-0.4 0.485 84.5 104.6 80.8 3.7 -33.5 50.8 81.8 25 28 A I S S- 0 0 24 408,-0.2 -5,-0.3 409,-0.1 -4,-0.3 -0.960 72.2-118.6-122.0 132.5 -32.1 47.6 80.1 26 29 A G - 0 0 0 -11,-3.0 -7,-0.3 -2,-0.4 2,-0.2 -0.226 37.7-174.1 -65.3 158.7 -34.0 45.4 77.6 27 30 A D > - 0 0 7 -9,-2.2 4,-2.0 1,-0.1 -9,-0.2 -0.864 39.8 -90.8-150.4 177.2 -34.7 41.8 78.5 28 31 A F H > S+ 0 0 0 45,-2.4 4,-3.0 -2,-0.2 5,-0.2 0.912 120.8 53.6 -66.3 -43.3 -36.0 38.4 77.4 29 32 A K H > S+ 0 0 44 44,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.911 108.6 52.6 -58.9 -40.7 -39.6 39.0 78.6 30 33 A G H > S+ 0 0 0 -12,-0.4 4,-0.8 2,-0.2 -1,-0.2 0.926 110.9 44.7 -57.3 -47.8 -39.5 42.2 76.6 31 34 A L H >< S+ 0 0 2 -4,-2.0 3,-0.9 -13,-0.3 -2,-0.2 0.921 112.4 52.9 -63.2 -43.3 -38.4 40.3 73.4 32 35 A T H >< S+ 0 0 26 -4,-3.0 3,-1.3 1,-0.2 4,-0.3 0.894 105.9 53.6 -60.6 -39.2 -41.0 37.6 74.0 33 36 A E H 3< S+ 0 0 129 -4,-2.4 3,-0.3 1,-0.3 -1,-0.2 0.702 108.4 51.2 -69.3 -17.4 -43.8 40.1 74.4 34 37 A K T S+ 0 0 0 -3,-1.3 4,-3.0 1,-0.2 5,-0.2 0.858 79.0 56.1 -60.5 -36.7 -42.9 38.4 69.0 36 39 A D H > S+ 0 0 106 -3,-0.3 4,-2.5 -4,-0.3 -1,-0.2 0.868 104.9 54.4 -60.6 -37.2 -46.4 39.2 67.5 37 40 A Y H > S+ 0 0 27 -3,-0.3 4,-1.4 2,-0.2 -2,-0.2 0.937 112.5 41.9 -58.8 -50.0 -44.9 42.5 66.2 38 41 A L H X>S+ 0 0 0 -4,-1.7 5,-2.0 2,-0.2 4,-1.3 0.908 113.2 52.2 -69.8 -41.3 -42.1 40.7 64.5 39 42 A K H ><5S+ 0 0 96 -4,-3.0 3,-0.5 1,-0.2 -2,-0.2 0.947 110.0 50.3 -54.8 -45.7 -44.3 37.9 63.1 40 43 A G H 3<5S+ 0 0 38 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.797 103.9 57.0 -69.3 -26.9 -46.7 40.6 61.7 41 44 A L H 3<5S- 0 0 1 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.840 122.6-110.4 -68.8 -29.4 -43.8 42.4 60.0 42 45 A G T <<5 + 0 0 28 -4,-1.3 2,-0.2 -3,-0.5 -34,-0.2 0.572 58.2 162.8 110.8 18.4 -43.1 39.0 58.3 43 46 A I < - 0 0 2 -5,-2.0 -1,-0.2 1,-0.1 -34,-0.2 -0.508 21.6-171.7 -71.1 132.4 -39.8 38.0 60.0 44 47 A D + 0 0 48 -36,-2.3 48,-1.6 1,-0.3 2,-0.3 0.702 69.4 12.0 -91.4 -28.4 -38.9 34.3 59.7 45 48 A A E -ac 9 92A 0 -37,-1.2 -35,-1.8 46,-0.2 2,-0.4 -0.989 62.1-144.9-156.7 142.8 -35.9 34.2 62.1 46 49 A I E -ac 10 93A 1 46,-2.2 48,-3.3 -2,-0.3 2,-0.6 -0.921 4.4-155.2-113.9 135.5 -34.3 36.4 64.7 47 50 A W E -ac 11 94A 2 -37,-2.4 -35,-2.6 -2,-0.4 2,-0.5 -0.960 18.2-160.0-101.1 119.0 -30.6 36.7 65.5 48 51 A I E -ac 12 95A 0 46,-2.4 48,-0.7 -2,-0.6 -35,-0.2 -0.872 16.3-121.8 -98.2 138.2 -30.0 37.9 69.0 49 52 A N - 0 0 3 -37,-2.0 47,-0.2 -2,-0.5 11,-0.1 -0.121 66.5 -44.7 -63.2 168.6 -26.8 39.5 70.3 50 53 A P + 0 0 1 0, 0.0 -1,-0.2 0, 0.0 11,-0.1 -0.099 53.9 177.3 -53.2 136.0 -25.0 37.7 73.2 51 54 A H + 0 0 0 45,-0.2 19,-2.7 -3,-0.2 2,-0.2 0.051 42.5 113.0-122.5 16.4 -27.4 36.6 76.0 52 55 A Y E S-H 69 0B 4 17,-0.3 17,-0.3 8,-0.2 14,-0.1 -0.509 82.1 -71.6 -94.6 161.6 -24.9 34.8 78.3 53 56 A A E +H 65 0B 19 15,-2.2 11,-2.1 12,-0.8 12,-1.2 -0.244 68.4 160.4 -49.0 130.3 -23.5 35.7 81.8 54 57 A S - 0 0 16 9,-0.3 9,-0.2 10,-0.2 17,-0.2 -0.982 54.2-136.1-158.8 139.2 -21.3 38.7 81.4 55 58 A P - 0 0 62 0, 0.0 8,-0.1 0, 0.0 4,-0.1 0.589 50.5-131.4 -71.1 -8.7 -19.8 41.6 83.4 56 59 A N > + 0 0 23 6,-0.6 3,-1.0 2,-0.1 7,-0.1 0.713 62.9 140.4 62.6 29.2 -20.8 43.8 80.4 57 60 A T T 3 S+ 0 0 51 1,-0.2 325,-0.2 5,-0.2 -1,-0.1 0.841 96.4 21.8 -61.9 -27.2 -17.5 45.7 79.9 58 61 A D T > S- 0 0 8 4,-0.1 3,-2.1 106,-0.1 -1,-0.2 -0.223 121.6-101.0-134.3 44.8 -18.6 45.1 76.2 59 62 A N T < S- 0 0 8 -3,-1.0 -44,-0.1 1,-0.3 -2,-0.0 0.841 93.0 -27.8 40.1 61.8 -22.4 44.5 76.6 60 63 A G T 3 S+ 0 0 0 2,-0.2 -1,-0.3 -11,-0.1 -8,-0.2 0.047 118.0 96.6 94.2 -24.8 -22.5 40.7 76.4 61 64 A Y S < S+ 0 0 5 -3,-2.1 2,-0.5 1,-0.2 -2,-0.1 0.437 75.4 68.0 -79.0 -1.0 -19.3 40.2 74.2 62 65 A D S S- 0 0 0 41,-0.0 -6,-0.6 43,-0.0 2,-0.5 -0.896 79.4-166.9-113.1 95.6 -17.2 39.6 77.4 63 66 A I + 0 0 0 -2,-0.5 40,-2.6 38,-0.3 -9,-0.3 -0.731 22.4 179.6 -98.3 125.7 -18.7 36.2 78.6 64 67 A S S S+ 0 0 29 -11,-2.1 43,-0.6 -2,-0.5 2,-0.3 0.608 80.8 18.1-100.2 -13.2 -17.9 34.9 82.1 65 68 A D E > -H 53 0B 63 -12,-1.2 3,-1.1 3,-0.2 -12,-0.8 -0.796 60.9-161.2-155.6 113.5 -19.9 31.7 81.8 66 69 A Y E 3 S+ 0 0 6 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.624 90.1 53.7 -67.9 -15.1 -21.1 30.2 78.5 67 70 A R E 3 S+ 0 0 97 2,-0.1 2,-0.3 -15,-0.0 -1,-0.2 0.277 98.6 68.8-107.6 12.4 -23.8 28.0 80.0 68 71 A E E < S- 0 0 102 -3,-1.1 -15,-2.2 -15,-0.1 -3,-0.2 -0.936 79.4-119.1-126.0 150.0 -25.7 30.6 82.0 69 72 A V E -H 52 0B 13 -2,-0.3 -17,-0.3 -17,-0.3 2,-0.1 -0.511 42.4 -85.6 -82.7 158.7 -27.8 33.5 80.7 70 73 A M >> - 0 0 0 -19,-2.7 4,-1.4 -17,-0.2 3,-0.9 -0.421 32.5-133.6 -64.0 131.5 -27.1 37.2 81.4 71 74 A K T 34 S+ 0 0 86 1,-0.2 3,-0.4 2,-0.2 -1,-0.1 0.904 105.0 54.8 -54.3 -46.5 -28.6 38.3 84.7 72 75 A E T 34 S+ 0 0 72 1,-0.2 -1,-0.2 -45,-0.1 -49,-0.1 0.777 107.5 51.1 -57.0 -30.7 -30.0 41.5 83.2 73 76 A Y T <4 S- 0 0 5 -3,-0.9 -45,-2.4 1,-0.3 -44,-0.5 0.794 115.9-107.2 -83.2 -28.7 -31.9 39.5 80.5 74 77 A G < - 0 0 22 -4,-1.4 -1,-0.3 -3,-0.4 2,-0.2 -0.996 46.3 -44.5 145.2-142.6 -33.6 37.0 82.9 75 78 A T > - 0 0 78 -2,-0.3 4,-1.8 -3,-0.1 3,-0.2 -0.664 54.2 -97.0-116.9 171.2 -33.2 33.3 83.8 76 79 A M H > S+ 0 0 44 1,-0.2 4,-2.6 -2,-0.2 5,-0.2 0.875 126.2 57.6 -54.1 -38.3 -32.7 30.1 81.8 77 80 A E H > S+ 0 0 53 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.888 104.0 51.9 -60.7 -38.5 -36.5 29.6 82.1 78 81 A D H > S+ 0 0 31 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.890 110.3 48.3 -63.0 -40.1 -37.0 33.0 80.4 79 82 A F H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.937 111.4 49.8 -62.4 -47.9 -34.7 31.8 77.5 80 83 A D H X S+ 0 0 69 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.869 110.0 50.9 -57.9 -41.2 -36.6 28.5 77.3 81 84 A R H X S+ 0 0 133 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.880 107.4 53.0 -66.8 -40.4 -39.9 30.4 77.1 82 85 A L H X S+ 0 0 1 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.956 111.2 47.5 -54.0 -53.4 -38.5 32.7 74.3 83 86 A M H X S+ 0 0 32 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.921 112.6 48.8 -52.0 -50.6 -37.6 29.5 72.4 84 87 A A H X S+ 0 0 52 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.867 111.6 48.2 -62.9 -39.7 -41.1 28.0 73.0 85 88 A E H X S+ 0 0 41 -4,-2.6 4,-0.9 2,-0.2 -1,-0.2 0.821 110.4 52.0 -70.4 -32.3 -42.9 31.2 71.9 86 89 A L H <>S+ 0 0 3 -4,-2.2 5,-2.9 -5,-0.2 3,-0.4 0.906 109.5 50.0 -63.0 -45.3 -40.8 31.4 68.7 87 90 A K H ><5S+ 0 0 174 -4,-2.0 3,-1.7 1,-0.2 -2,-0.2 0.877 103.8 58.2 -66.3 -39.6 -41.6 27.8 67.8 88 91 A K H 3<5S+ 0 0 158 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.831 110.2 45.3 -54.8 -35.3 -45.4 28.4 68.4 89 92 A R T 3<5S- 0 0 54 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.356 118.3-112.6 -95.0 3.8 -45.2 31.1 65.7 90 93 A G T < 5S+ 0 0 56 -3,-1.7 2,-0.2 1,-0.3 -3,-0.2 0.706 73.1 137.4 73.3 21.3 -43.0 28.9 63.3 91 94 A M < - 0 0 8 -5,-2.9 2,-0.3 -6,-0.1 -1,-0.3 -0.665 45.0-136.7-101.3 156.5 -40.0 31.2 63.8 92 95 A R E -c 45 0A 95 -48,-1.6 -46,-2.2 -2,-0.2 2,-0.5 -0.855 7.9-134.6-114.5 148.1 -36.4 30.2 64.3 93 96 A L E -c 46 0A 4 -2,-0.3 99,-1.8 97,-0.2 100,-1.1 -0.894 12.4-169.3-102.7 127.5 -33.7 31.5 66.8 94 97 A M E -cd 47 193A 0 -48,-3.3 -46,-2.4 -2,-0.5 2,-0.2 -0.973 15.6-157.4-106.7 125.0 -30.0 32.4 65.8 95 98 A V E -cd 48 194A 0 98,-2.5 100,-2.6 -2,-0.5 2,-0.4 -0.688 17.9-113.2-101.8 159.0 -27.7 33.0 68.7 96 99 A D E - d 0 195A 0 -48,-0.7 2,-0.5 -2,-0.2 -45,-0.2 -0.718 25.3-156.8 -91.2 132.1 -24.4 34.9 68.8 97 100 A V E - d 0 196A 4 98,-3.3 100,-2.5 -2,-0.4 2,-0.6 -0.969 8.6-173.7-117.0 121.8 -21.3 32.8 69.5 98 101 A V + 0 0 1 -2,-0.5 -35,-0.2 98,-0.2 100,-0.1 -0.842 30.2 135.7-123.8 85.1 -18.3 34.7 71.0 99 102 A I + 0 0 0 -2,-0.6 -1,-0.1 98,-0.4 3,-0.1 0.113 49.3 83.3-128.2 19.6 -15.3 32.3 71.1 100 103 A N S S+ 0 0 0 1,-0.3 68,-1.9 97,-0.2 2,-0.3 0.722 112.4 1.3 -77.4 -28.2 -12.4 34.3 69.9 101 104 A H B -I 167 0C 1 66,-0.3 -1,-0.3 -40,-0.1 -38,-0.3 -0.985 65.2-150.4-152.1 155.8 -12.2 35.6 73.5 102 105 A S - 0 0 0 64,-2.1 -38,-0.2 -2,-0.3 2,-0.1 -0.722 39.6 -80.7-116.6 176.6 -13.8 35.3 76.9 103 106 A S > - 0 0 0 -40,-2.6 3,-1.3 -2,-0.2 6,-0.3 -0.457 34.0-124.2 -64.4 149.1 -14.3 37.6 79.9 104 107 A D T 3 S+ 0 0 19 60,-1.7 -1,-0.1 1,-0.2 61,-0.1 0.559 114.1 63.3 -70.4 -4.2 -11.3 38.0 82.2 105 108 A Q T 3 S+ 0 0 92 59,-0.3 -1,-0.2 4,-0.1 -41,-0.1 0.426 74.4 115.1 -98.2 -1.7 -13.8 36.9 84.8 106 109 A H S X> S- 0 0 13 -3,-1.3 4,-2.1 -43,-0.2 3,-0.8 -0.457 77.2-122.8 -62.4 141.3 -14.4 33.5 83.2 107 110 A E H 3> S+ 0 0 119 -43,-0.6 4,-2.0 1,-0.3 5,-0.2 0.816 111.4 61.4 -59.3 -31.8 -13.1 30.7 85.6 108 111 A W H 3> S+ 0 0 29 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.888 108.9 43.0 -58.1 -41.4 -10.8 29.5 82.9 109 112 A F H <> S+ 0 0 0 -3,-0.8 4,-2.5 -6,-0.3 -2,-0.2 0.879 109.4 54.2 -75.5 -39.4 -9.1 32.8 82.9 110 113 A K H X S+ 0 0 85 -4,-2.1 4,-0.5 1,-0.2 -2,-0.2 0.888 116.4 41.2 -58.7 -37.9 -9.0 33.2 86.7 111 114 A S H >< S+ 0 0 45 -4,-2.0 3,-0.9 -5,-0.2 4,-0.5 0.921 112.9 53.5 -71.6 -49.5 -7.2 29.8 86.8 112 115 A S H >< S+ 0 0 0 -4,-2.4 3,-0.6 1,-0.2 6,-0.2 0.880 110.2 47.2 -53.5 -43.8 -5.0 30.5 83.8 113 116 A R H 3< S+ 0 0 70 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.643 92.4 81.1 -75.6 -17.2 -3.6 33.7 85.3 114 117 A A T << S- 0 0 64 -3,-0.9 2,-0.3 -4,-0.5 -1,-0.2 0.732 107.5 -18.1 -67.9 -27.7 -2.9 32.3 88.8 115 118 A S < - 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0 0 3 -4,-2.7 3,-1.8 1,-0.1 4,-0.3 -0.195 60.2-135.6 -56.9 139.0 -19.9 55.3 66.5 411 414 A R G > S+ 0 0 13 1,-0.3 3,-1.7 -87,-0.2 4,-0.4 0.717 98.3 78.8 -69.2 -16.3 -21.8 52.1 67.1 412 415 A D G >> S+ 0 0 0 1,-0.3 3,-1.3 2,-0.2 4,-0.7 0.786 78.6 72.2 -60.7 -24.7 -23.8 53.8 69.9 413 416 A N G <4 S+ 0 0 0 -3,-1.8 -1,-0.3 1,-0.2 3,-0.2 0.805 102.4 42.7 -53.5 -29.3 -25.9 55.4 67.0 414 417 A A G <4 S+ 0 0 1 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.2 0.470 108.5 62.2 -92.6 -7.6 -27.3 51.8 66.5 415 418 A R T <4 + 0 0 2 -3,-1.3 -2,-0.2 -4,-0.4 -1,-0.1 0.463 67.1 114.6-107.2 -2.6 -27.8 51.2 70.2 416 419 A T S < S- 0 0 2 -4,-0.7 21,-0.2 -3,-0.2 20,-0.1 -0.312 82.8 -76.1 -65.3 152.9 -30.3 53.8 71.4 417 420 A P - 0 0 0 0, 0.0 21,-0.3 0, 0.0 -400,-0.2 -0.196 49.3-100.7 -64.3 143.8 -33.5 52.3 72.5 418 421 A F - 0 0 0 -402,-2.6 2,-1.0 -3,-0.1 -55,-0.1 -0.330 36.2-125.1 -58.6 137.9 -36.1 51.0 70.0 419 422 A Q + 0 0 1 1,-0.2 27,-2.2 -3,-0.1 8,-0.1 -0.766 39.3 165.5-101.4 93.6 -38.9 53.5 69.6 420 423 A W - 0 0 14 6,-1.7 27,-2.3 -2,-1.0 2,-0.2 0.842 62.6 -31.4 -78.4 -43.8 -42.2 51.8 70.4 421 424 A D - 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0 0 4 -4,-3.1 3,-1.5 1,-0.1 4,-0.2 -0.144 60.4-133.8 -58.5 143.1 28.1 64.6 109.7 968 414 B R G > S+ 0 0 13 1,-0.3 3,-1.7 -87,-0.2 4,-0.4 0.702 100.6 76.8 -60.4 -28.9 29.9 61.3 109.0 969 415 B D G >> S+ 0 0 0 1,-0.3 3,-1.2 2,-0.2 4,-0.7 0.763 77.9 72.5 -59.3 -24.1 32.0 63.1 106.4 970 416 B N G <4 S+ 0 0 0 -3,-1.5 -1,-0.3 1,-0.2 3,-0.2 0.814 102.4 42.9 -55.5 -32.8 34.0 64.6 109.3 971 417 B A G <4 S+ 0 0 1 -3,-1.7 -1,-0.2 -4,-0.2 -2,-0.2 0.478 108.7 61.5 -88.2 -6.7 35.5 61.1 109.7 972 418 B R T <4 + 0 0 2 -3,-1.2 -2,-0.2 -4,-0.4 -1,-0.2 0.430 66.7 116.1-107.7 -1.9 36.0 60.5 105.9 973 419 B T S < S- 0 0 1 -4,-0.7 21,-0.2 -3,-0.2 20,-0.1 -0.355 83.7 -77.9 -63.7 149.5 38.4 63.2 104.9 974 420 B P - 0 0 0 0, 0.0 21,-0.3 0, 0.0 -400,-0.2 -0.200 50.2-100.1 -61.0 140.2 41.7 61.6 103.6 975 421 B F - 0 0 0 -402,-2.6 2,-1.0 -3,-0.1 -55,-0.1 -0.305 36.8-124.0 -53.4 136.5 44.2 60.4 106.2 976 422 B Q + 0 0 1 1,-0.2 27,-2.5 -3,-0.1 8,-0.1 -0.716 39.5 166.1 -98.3 95.1 47.0 63.0 106.6 977 423 B W - 0 0 15 6,-1.6 27,-2.7 -2,-1.0 2,-0.2 0.874 62.1 -31.9 -79.9 -43.0 50.3 61.2 105.9 978 424 B D S S- 0 0 50 5,-1.5 7,-0.1 25,-0.2 -1,-0.1 -0.838 70.7 -82.5-155.6-165.6 52.7 64.2 105.5 979 425 B D S S+ 0 0 110 -2,-0.2 3,-0.1 23,-0.1 5,-0.1 0.152 85.5 111.4-103.8 24.7 52.7 67.8 104.3 980 426 B S S > S- 0 0 57 1,-0.2 3,-1.9 2,-0.1 5,-0.1 -0.161 87.7 -49.4 -75.9-179.3 53.1 67.1 100.6 981 427 B A G > S+ 0 0 69 1,-0.3 3,-2.1 2,-0.2 5,-0.4 -0.268 133.1 4.7 -53.3 132.9 50.2 67.8 98.1 982 428 B N G > S- 0 0 47 1,-0.3 3,-2.2 2,-0.2 4,-0.4 0.809 126.7 -75.0 61.5 26.1 47.0 66.4 99.4 983 429 B A G < S- 0 0 0 -3,-1.9 -6,-1.6 1,-0.3 -5,-1.5 0.711 81.9 -69.9 56.4 24.8 48.8 65.3 102.6 984 430 B G G < S+ 0 0 14 -3,-2.1 -1,-0.3 2,-0.3 -2,-0.2 0.572 111.5 118.1 70.1 7.7 50.5 62.5 100.6 985 431 B F S < S- 0 0 0 -3,-2.2 -409,-2.0 1,-0.2 2,-0.3 0.897 83.5 -3.8 -64.6 -43.4 47.1 60.7 100.4 986 432 B T - 0 0 8 -5,-0.4 -2,-0.3 -4,-0.4 -1,-0.2 -0.969 48.3-140.8-148.4 156.8 47.0 60.9 96.6 987 433 B T S S+ 0 0 137 -2,-0.3 2,-0.1 -3,-0.1 -5,-0.1 0.417 94.9 48.1 -98.3 -0.5 48.9 62.3 93.6 988 434 B G S S- 0 0 26 -6,-0.1 -2,-0.2 1,-0.1 -408,-0.1 -0.047 113.5 -51.0-110.4-144.1 45.6 63.1 91.9 989 435 B K - 0 0 184 -410,-0.4 -2,-0.1 -2,-0.1 -1,-0.1 -0.878 58.4-121.8-101.6 120.9 42.4 64.8 93.1 990 436 B P - 0 0 20 0, 0.0 -408,-0.2 0, 0.0 -409,-0.1 -0.309 11.4-130.0 -63.0 141.3 41.0 63.4 96.4 991 437 B W S S+ 0 0 47 -410,-2.5 2,-0.3 -419,-0.2 -409,-0.1 0.806 101.2 24.6 -61.9 -27.1 37.5 62.1 96.3 992 438 B L S S- 0 0 13 -411,-0.3 -1,-0.2 -20,-0.1 -56,-0.1 -0.997 105.2 -94.4-136.9 135.8 36.8 64.3 99.4 993 439 B K - 0 0 93 -2,-0.3 2,-0.2 -58,-0.2 -2,-0.1 -0.186 36.3-119.1 -58.6 140.5 38.8 67.4 100.2 994 440 B V - 0 0 19 -21,-0.2 -1,-0.1 1,-0.1 -19,-0.1 -0.510 33.9-103.4 -71.4 139.5 41.8 67.1 102.6 995 441 B N > - 0 0 5 -21,-0.3 3,-1.9 -2,-0.2 -1,-0.1 -0.521 25.0-134.3 -63.4 125.7 41.5 69.2 105.8 996 442 B P G > S+ 0 0 78 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.721 99.4 77.0 -59.4 -16.8 43.8 72.3 105.4 997 443 B N G >> + 0 0 34 1,-0.3 4,-2.3 2,-0.1 3,-1.8 0.448 64.0 98.3 -72.1 1.6 45.2 71.6 108.9 998 444 B Y G <4 + 0 0 54 -3,-1.9 -1,-0.3 1,-0.3 -3,-0.0 0.783 68.8 70.0 -57.5 -28.1 47.3 68.7 107.4 999 445 B T G <4 S+ 0 0 81 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.1 0.806 115.4 25.1 -62.0 -25.7 50.2 71.2 107.3 1000 446 B E T <4 S+ 0 0 135 -3,-1.8 2,-0.6 1,-0.2 -2,-0.2 0.656 123.0 53.3-105.6 -23.5 50.2 70.9 111.1 1001 447 B I S < S+ 0 0 2 -4,-2.3 2,-0.3 -23,-0.1 -1,-0.2 -0.924 74.0 128.5-118.8 101.5 48.6 67.4 111.7 1002 448 B N > - 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