==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 24-SEP-12 4H8V . COMPND 2 MOLECULE: SUCROSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHIZOBIUM; . AUTHOR A.LIPSKI,S.RAVAUD,R.HASER,N.AGHAJARI . 1114 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41789.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 725 65.1 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 . 110 9.9 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 . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 49 4.4 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 . 243 21.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.8 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 9 5 4 2 0 0 2 4 2 4 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 6 7 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 . 9 4 1 5 1 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 . 5 2 0 2 0 0 1 1 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 K 0 0 121 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-131.3 -10.5 -29.2 9.7 2 2 A P - 0 0 132 0, 0.0 2,-0.1 0, 0.0 0, 0.0 -0.373 360.0-116.0 -61.1 152.3 -9.7 -25.9 11.4 3 3 A G - 0 0 71 1,-0.1 3,-0.1 -2,-0.0 0, 0.0 -0.404 33.6 -98.3 -81.3 168.2 -11.4 -22.8 9.9 4 4 A A - 0 0 55 -2,-0.1 -1,-0.1 1,-0.1 5,-0.1 -0.683 43.6 -98.6 -88.1 145.1 -9.4 -20.1 8.2 5 5 A P >> - 0 0 53 0, 0.0 3,-1.3 0, 0.0 4,-0.8 -0.276 36.8-110.3 -56.3 150.4 -8.6 -17.0 10.3 6 6 A W H >> S+ 0 0 59 1,-0.3 4,-0.7 2,-0.2 3,-0.5 0.786 115.5 58.7 -54.3 -32.3 -11.0 -14.1 9.5 7 7 A W H 34 S+ 0 0 33 1,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.779 96.5 59.8 -76.0 -24.6 -8.3 -12.1 7.8 8 8 A K H <4 S+ 0 0 49 -3,-1.3 351,-0.2 1,-0.2 -1,-0.2 0.771 115.5 34.9 -71.5 -23.8 -7.6 -14.8 5.2 9 9 A S H << S+ 0 0 54 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.461 99.9 105.0-107.3 -2.3 -11.2 -14.6 3.9 10 10 A A < - 0 0 2 -4,-0.7 2,-0.5 -3,-0.1 36,-0.1 -0.302 61.6-137.5 -80.0 159.9 -11.8 -10.8 4.5 11 11 A V - 0 0 0 34,-0.2 36,-2.2 349,-0.1 37,-1.4 -0.985 24.2-159.5-114.7 119.7 -11.9 -8.0 1.9 12 12 A F E -ab 48 362A 1 349,-2.6 351,-2.5 -2,-0.5 2,-0.4 -0.686 8.7-158.2 -98.0 154.0 -10.1 -4.9 3.1 13 13 A Y E -ab 49 363A 0 35,-2.0 37,-2.2 -2,-0.3 2,-0.6 -0.994 15.4-138.9-125.0 133.4 -10.5 -1.3 1.9 14 14 A Q E -ab 50 364A 3 349,-2.4 351,-1.8 -2,-0.4 2,-0.5 -0.854 15.7-163.8 -97.2 122.9 -7.7 1.2 2.4 15 15 A V E -a 51 0A 0 35,-2.6 37,-1.9 -2,-0.6 3,-0.1 -0.906 13.0-162.3-104.3 128.6 -8.8 4.7 3.4 16 16 A Y > - 0 0 2 -2,-0.5 3,-2.5 35,-0.2 13,-0.1 -0.873 16.6-161.4-103.4 91.0 -6.3 7.6 3.1 17 17 A P G >> S+ 0 0 0 0, 0.0 3,-1.0 0, 0.0 4,-0.6 0.690 80.9 66.2 -58.6 -26.9 -8.3 9.9 5.5 18 18 A R G 34 S+ 0 0 24 1,-0.2 11,-3.1 10,-0.1 419,-0.2 0.815 115.8 29.7 -59.0 -30.8 -6.7 13.1 4.4 19 19 A S G <4 S+ 0 0 0 -3,-2.5 402,-2.7 9,-0.2 -1,-0.2 0.077 105.2 76.4-123.1 23.4 -8.4 12.6 1.0 20 20 A F T <4 S- 0 0 1 -3,-1.0 2,-0.3 1,-0.2 -2,-0.1 0.886 104.5 -14.8 -99.3 -69.3 -11.6 10.7 1.8 21 21 A K < - 0 0 31 -4,-0.6 9,-2.7 9,-0.2 2,-0.4 -0.943 51.9-159.3-146.1 125.2 -14.2 13.1 3.4 22 22 A D + 0 0 5 409,-2.6 7,-0.2 -2,-0.3 411,-0.0 -0.822 10.8 176.3 -96.9 134.3 -13.8 16.6 4.8 23 23 A T S S+ 0 0 48 -2,-0.4 -1,-0.1 5,-0.3 6,-0.1 0.277 75.8 47.8-122.2 9.5 -16.6 17.7 7.2 24 24 A N S S- 0 0 104 4,-0.3 408,-0.1 0, 0.0 -1,-0.1 0.202 102.1-116.6-132.7 16.4 -15.3 21.1 8.3 25 25 A G S S+ 0 0 23 406,-0.1 410,-0.6 1,-0.1 407,-0.1 0.536 78.7 121.7 67.9 9.5 -14.4 22.8 5.0 26 26 A D S S- 0 0 71 2,-0.3 -1,-0.1 408,-0.2 3,-0.1 0.532 84.6-113.2 -83.3 -2.9 -10.7 23.1 5.7 27 27 A G S S+ 0 0 0 1,-0.2 410,-2.3 409,-0.1 2,-0.4 0.411 86.5 101.3 91.5 -1.7 -10.0 21.0 2.7 28 28 A I S S- 0 0 22 408,-0.2 -5,-0.3 409,-0.1 -4,-0.3 -0.950 73.5-118.7-118.2 132.7 -8.6 18.0 4.6 29 29 A G - 0 0 0 -11,-3.1 -7,-0.3 -2,-0.4 2,-0.2 -0.310 36.5-172.0 -69.0 156.5 -10.6 14.8 5.2 30 30 A D > - 0 0 10 -9,-2.7 4,-1.8 1,-0.1 -9,-0.2 -0.817 38.3 -90.8-141.4 177.8 -11.2 13.8 8.8 31 31 A F H > S+ 0 0 0 45,-3.1 4,-3.2 -2,-0.2 5,-0.3 0.912 121.0 54.4 -59.3 -48.7 -12.6 11.2 11.1 32 32 A K H > S+ 0 0 110 44,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.862 107.9 53.3 -56.7 -35.3 -16.1 12.5 11.2 33 33 A G H > S+ 0 0 0 -12,-0.4 4,-0.6 2,-0.2 -1,-0.2 0.918 111.4 43.8 -63.1 -45.9 -16.0 12.3 7.4 34 34 A L H >< S+ 0 0 1 -4,-1.8 3,-1.0 -13,-0.3 -2,-0.2 0.910 112.3 52.1 -67.0 -42.2 -15.0 8.7 7.5 35 35 A T H >< S+ 0 0 24 -4,-3.2 3,-1.3 1,-0.3 4,-0.3 0.886 104.3 57.8 -63.5 -35.5 -17.5 7.8 10.2 36 36 A E H 3< S+ 0 0 121 -4,-2.0 3,-0.3 -5,-0.3 -1,-0.3 0.744 108.1 49.1 -62.8 -22.3 -20.3 9.4 8.1 37 37 A K T S+ 0 0 0 -3,-1.3 4,-3.5 1,-0.2 5,-0.2 0.871 80.1 59.1 -66.1 -33.0 -19.3 3.6 7.0 39 39 A D H > S+ 0 0 110 -4,-0.3 4,-2.3 -3,-0.3 -1,-0.2 0.871 105.7 50.6 -60.6 -36.0 -22.7 2.8 5.6 40 40 A Y H > S+ 0 0 25 -3,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.930 113.6 42.9 -65.9 -47.7 -21.2 3.3 2.2 41 41 A L H X>S+ 0 0 0 -4,-1.9 5,-1.9 2,-0.2 4,-1.1 0.926 113.3 51.9 -68.3 -45.0 -18.3 1.0 2.9 42 42 A K H ><5S+ 0 0 95 -4,-3.5 3,-0.9 1,-0.2 -2,-0.2 0.938 107.9 53.7 -50.3 -49.9 -20.6 -1.6 4.6 43 43 A G H 3<5S+ 0 0 37 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.831 102.4 57.1 -56.9 -36.0 -22.8 -1.5 1.5 44 44 A L H 3<5S- 0 0 0 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.782 121.9-107.2 -63.6 -30.2 -19.9 -2.3 -0.8 45 45 A G T <<5 + 0 0 20 -4,-1.1 2,-0.2 -3,-0.9 -34,-0.2 0.557 60.0 164.0 112.8 14.2 -19.2 -5.4 1.2 46 46 A I < - 0 0 1 -5,-1.9 -1,-0.2 1,-0.1 -34,-0.2 -0.461 20.5-174.8 -74.7 131.0 -16.1 -4.3 3.0 47 47 A D + 0 0 47 -36,-2.2 48,-1.5 1,-0.3 2,-0.3 0.782 68.0 13.2 -89.9 -35.1 -15.0 -6.3 6.1 48 48 A A E -ac 12 95A 0 -37,-1.4 -35,-2.0 46,-0.2 2,-0.4 -0.995 61.4-145.3-148.4 148.0 -12.1 -4.3 7.3 49 49 A I E -ac 13 96A 0 46,-2.4 48,-3.5 -2,-0.3 2,-0.6 -0.956 3.7-158.3-118.2 131.1 -10.6 -0.8 6.8 50 50 A W E -ac 14 97A 3 -37,-2.2 -35,-2.6 -2,-0.4 2,-0.4 -0.962 16.9-161.2-101.9 121.9 -6.9 0.1 6.9 51 51 A I E -a 15 0A 0 46,-2.3 48,-0.4 -2,-0.6 -35,-0.2 -0.854 17.3-121.4-100.9 139.6 -6.3 3.7 7.6 52 52 A N - 0 0 2 -37,-1.9 47,-0.2 -2,-0.4 11,-0.1 -0.186 66.6 -44.5 -65.1 169.5 -3.1 5.6 6.8 53 53 A P + 0 0 0 0, 0.0 -1,-0.2 0, 0.0 11,-0.1 -0.055 53.0 177.1 -51.4 136.8 -1.5 7.3 9.8 54 54 A H + 0 0 0 45,-0.2 19,-2.2 -3,-0.1 2,-0.2 0.004 41.7 113.0-127.2 21.2 -3.8 9.2 12.1 55 55 A Y E S-H 72 0B 4 17,-0.3 17,-0.3 8,-0.3 14,-0.1 -0.605 82.2 -71.4 -98.6 158.5 -1.3 10.4 14.8 56 56 A A E +H 68 0B 20 15,-1.8 11,-2.6 12,-0.7 12,-1.1 -0.200 68.6 163.1 -46.4 129.7 -0.1 13.9 15.7 57 57 A S - 0 0 16 9,-0.2 9,-0.2 10,-0.2 17,-0.2 -0.994 55.0-134.6-159.7 139.9 2.1 15.0 12.9 58 58 A P - 0 0 57 0, 0.0 8,-0.1 0, 0.0 4,-0.1 0.545 51.8-132.6 -69.5 -11.3 3.7 18.1 11.3 59 59 A N > + 0 0 23 6,-0.5 3,-0.6 1,-0.1 7,-0.1 0.801 61.8 141.1 62.2 36.0 2.5 16.5 8.1 60 60 A T T 3 S+ 0 0 36 1,-0.2 325,-0.1 5,-0.2 -1,-0.1 0.676 93.1 20.6 -75.0 -16.3 5.8 16.9 6.1 61 61 A D T > S- 0 0 9 4,-0.1 3,-1.6 106,-0.1 -1,-0.2 -0.185 121.4 -99.3-144.2 36.7 4.9 13.5 4.8 62 62 A N T < S- 0 0 6 -3,-0.6 -44,-0.1 1,-0.3 -2,-0.0 0.854 93.2 -26.4 45.4 55.7 1.2 13.4 5.5 63 63 A G T 3 S+ 0 0 0 2,-0.2 -8,-0.3 -11,-0.1 -1,-0.3 0.085 115.7 96.1 105.0 -22.5 1.1 11.3 8.7 64 64 A Y S < S+ 0 0 6 -3,-1.6 2,-0.5 1,-0.2 -2,-0.1 0.349 73.8 69.7 -87.1 8.3 4.3 9.3 8.3 65 65 A D S S- 0 0 0 -10,-0.1 -6,-0.5 -12,-0.1 2,-0.5 -0.869 78.5-165.3-118.8 96.2 6.2 11.8 10.4 66 66 A I + 0 0 0 -2,-0.5 40,-2.9 38,-0.3 -9,-0.2 -0.704 24.1 178.0 -97.9 127.1 4.8 11.3 13.9 67 67 A S S S+ 0 0 27 -11,-2.6 43,-0.6 -2,-0.5 2,-0.2 0.600 80.8 16.1-101.8 -15.6 5.4 13.7 16.7 68 68 A D E > -H 56 0B 62 -12,-1.1 3,-1.0 3,-0.2 -12,-0.7 -0.799 60.3-159.9-158.2 117.4 3.3 11.9 19.3 69 69 A Y E 3 S+ 0 0 7 -2,-0.2 -1,-0.0 1,-0.2 40,-0.0 0.546 90.7 50.5 -77.8 -7.2 2.2 8.3 19.0 70 70 A R E 3 S+ 0 0 97 2,-0.1 2,-0.3 118,-0.0 -1,-0.2 0.315 97.3 73.9-116.2 7.8 -0.6 8.5 21.5 71 71 A E E < S- 0 0 105 -3,-1.0 -15,-1.8 -15,-0.1 2,-0.3 -0.903 80.7-114.7-116.4 152.8 -2.5 11.6 20.3 72 72 A V E -H 55 0B 15 -2,-0.3 -17,-0.3 -17,-0.3 7,-0.1 -0.647 41.1 -95.0 -82.9 137.8 -4.7 11.9 17.2 73 73 A M >> - 0 0 0 -19,-2.2 4,-1.3 -2,-0.3 3,-0.9 -0.293 32.9-131.2 -50.0 127.3 -3.6 14.1 14.3 74 74 A K T 34 S+ 0 0 86 1,-0.3 -1,-0.2 2,-0.2 -18,-0.1 0.809 104.7 57.1 -57.8 -32.7 -5.3 17.5 14.9 75 75 A E T 34 S+ 0 0 69 1,-0.2 -1,-0.3 -45,-0.0 -49,-0.1 0.862 106.1 48.8 -65.9 -34.9 -6.5 17.6 11.3 76 76 A Y T <4 S- 0 0 3 -3,-0.9 -45,-3.1 1,-0.2 -44,-0.5 0.746 117.2-109.0 -82.2 -23.2 -8.4 14.3 11.6 77 77 A G < - 0 0 22 -4,-1.3 -1,-0.2 -47,-0.2 2,-0.2 -0.984 46.4 -38.4 139.6-143.4 -10.1 15.2 14.8 78 78 A T > - 0 0 72 -2,-0.3 4,-2.2 -3,-0.1 3,-0.4 -0.710 51.2-103.3-117.3 170.2 -9.9 14.2 18.5 79 79 A M H > S+ 0 0 42 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.868 124.5 56.8 -59.9 -36.8 -9.4 11.0 20.5 80 80 A E H > S+ 0 0 125 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.877 105.5 50.7 -59.0 -38.8 -13.1 11.0 21.1 81 81 A D H > S+ 0 0 13 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.901 109.1 51.2 -67.2 -39.8 -13.6 11.1 17.4 82 82 A F H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.919 110.1 48.4 -60.5 -46.0 -11.3 8.2 16.9 83 83 A D H X S+ 0 0 66 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.840 109.4 54.2 -62.4 -35.6 -13.2 6.2 19.6 84 84 A R H X S+ 0 0 92 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.902 106.4 50.8 -66.7 -41.0 -16.4 7.0 17.9 85 85 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.944 111.2 49.7 -57.7 -49.0 -15.1 5.7 14.6 86 86 A M H X S+ 0 0 34 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.893 112.6 46.7 -54.5 -47.1 -14.1 2.5 16.4 87 87 A A H X S+ 0 0 47 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.885 112.0 49.6 -64.6 -42.3 -17.6 2.2 18.0 88 88 A E H X S+ 0 0 41 -4,-2.6 4,-0.9 1,-0.2 -1,-0.2 0.842 109.8 51.5 -71.7 -31.1 -19.4 2.8 14.7 89 89 A L H <>S+ 0 0 3 -4,-2.2 5,-3.3 -5,-0.2 3,-0.5 0.906 108.9 51.1 -67.7 -42.7 -17.3 0.2 12.9 90 90 A K H ><5S+ 0 0 167 -4,-1.8 3,-2.8 1,-0.2 -2,-0.2 0.937 102.2 59.6 -63.3 -45.1 -18.1 -2.3 15.6 91 91 A K H 3<5S+ 0 0 154 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.830 109.8 44.9 -47.7 -34.2 -21.9 -1.7 15.3 92 92 A R T 3<5S- 0 0 55 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.366 119.5-113.4 -94.5 6.3 -21.5 -2.7 11.7 93 93 A G T < 5S+ 0 0 55 -3,-2.8 -3,-0.2 1,-0.2 2,-0.2 0.831 71.2 140.9 66.2 32.2 -19.4 -5.7 12.6 94 94 A M < - 0 0 11 -5,-3.3 2,-0.3 -6,-0.1 -1,-0.2 -0.649 42.5-136.3-104.2 164.0 -16.4 -4.1 10.8 95 95 A R E -c 48 0A 97 -48,-1.5 -46,-2.4 -2,-0.2 2,-0.5 -0.932 7.5-138.2-123.1 147.6 -12.7 -4.1 11.9 96 96 A L E -c 49 0A 5 -2,-0.3 99,-1.7 -48,-0.2 100,-1.2 -0.880 10.0-168.8-107.2 129.0 -10.0 -1.4 11.9 97 97 A M E -cd 50 196A 1 -48,-3.5 -46,-2.3 -2,-0.5 100,-0.3 -0.967 15.3-158.4-109.4 125.9 -6.4 -1.8 10.9 98 98 A V E - d 0 197A 0 98,-2.3 100,-2.4 -2,-0.5 2,-0.4 -0.590 19.8-109.8 -99.2 164.5 -4.2 1.1 11.8 99 99 A D E - d 0 198A 0 -48,-0.4 2,-0.6 -2,-0.2 -45,-0.2 -0.762 25.1-156.2 -95.2 135.1 -0.8 2.2 10.3 100 100 A V E - d 0 199A 4 98,-2.9 100,-2.2 -2,-0.4 2,-0.7 -0.950 10.4-177.0-118.3 117.5 2.3 1.7 12.5 101 101 A V + 0 0 1 -2,-0.6 -35,-0.2 98,-0.2 100,-0.1 -0.818 27.8 136.5-118.3 87.5 5.2 3.9 11.6 102 102 A I + 0 0 0 -2,-0.7 3,-0.1 98,-0.3 -1,-0.1 0.029 47.7 86.0-129.9 24.5 8.2 3.0 13.8 103 103 A N S S- 0 0 0 1,-0.3 68,-2.3 97,-0.1 2,-0.3 0.661 111.4 -0.9 -84.2 -24.4 11.2 3.0 11.4 104 104 A H B -I 170 0C 3 66,-0.3 -1,-0.3 -40,-0.1 -38,-0.3 -0.975 66.6-148.1-158.8 157.4 11.4 6.7 12.1 105 105 A S - 0 0 0 64,-2.1 -38,-0.2 -2,-0.3 2,-0.1 -0.687 38.4 -82.1-117.6 179.2 9.6 9.4 14.0 106 106 A S > - 0 0 0 -40,-2.9 3,-0.9 -2,-0.2 6,-0.3 -0.414 33.7-123.9 -70.4 160.3 9.1 13.1 13.4 107 107 A D T 3 S+ 0 0 21 60,-1.0 -1,-0.1 1,-0.2 61,-0.1 0.508 112.5 63.4 -83.2 -2.4 11.9 15.5 14.3 108 108 A Q T 3 S+ 0 0 92 59,-0.3 -1,-0.2 4,-0.1 2,-0.2 0.285 75.6 117.1 -99.8 6.0 9.4 17.2 16.5 109 109 A H S X> S- 0 0 12 -3,-0.9 4,-2.0 -43,-0.2 3,-0.7 -0.544 76.3-122.8 -70.6 140.6 8.9 14.2 18.7 110 110 A E H 3> S+ 0 0 126 -43,-0.6 4,-2.1 1,-0.2 5,-0.2 0.856 110.8 61.1 -52.8 -37.1 9.9 14.8 22.3 111 111 A W H 3> S+ 0 0 29 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.919 107.9 41.8 -53.4 -47.0 12.3 11.9 22.0 112 112 A F H <> S+ 0 0 4 -3,-0.7 4,-2.1 -6,-0.3 -1,-0.2 0.844 109.7 56.1 -77.5 -34.2 14.3 13.5 19.2 113 113 A K H < S+ 0 0 90 -4,-2.0 4,-0.3 2,-0.2 -1,-0.2 0.904 115.5 40.6 -60.2 -41.4 14.3 17.0 20.8 114 114 A S H >X S+ 0 0 33 -4,-2.1 3,-1.9 -5,-0.2 4,-0.5 0.957 112.2 56.8 -65.3 -52.6 15.9 15.4 23.8 115 115 A S H 3< S+ 0 0 0 -4,-3.1 3,-0.4 1,-0.3 6,-0.3 0.802 107.5 46.2 -49.0 -39.8 18.1 13.2 21.7 116 116 A R T 3< S+ 0 0 90 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.473 89.7 85.8 -90.2 -3.1 19.8 16.0 19.9 117 117 A A T <4 S- 0 0 40 -3,-1.9 2,-0.3 -4,-0.3 -1,-0.2 0.874 106.0 -19.3 -68.8 -37.6 20.4 18.2 22.9 118 118 A S >< - 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0 0 174 -410,-0.6 -2,-0.1 -2,-0.1 4,-0.0 -0.904 57.1-125.5-108.9 112.6 -10.8 24.4 -0.9 436 436 A P - 0 0 11 0, 0.0 -408,-0.2 0, 0.0 -409,-0.1 -0.193 12.2-129.1 -57.7 143.0 -9.3 20.8 -1.2 437 437 A W S S+ 0 0 45 -410,-2.3 2,-0.4 -419,-0.2 -409,-0.1 0.763 101.9 26.0 -67.8 -25.7 -5.7 20.4 -0.1 438 438 A L S S- 0 0 15 -411,-0.3 -1,-0.2 -20,-0.1 -56,-0.1 -0.996 105.3 -97.3-135.7 134.5 -5.0 18.7 -3.4 439 439 A K - 0 0 103 -2,-0.4 2,-0.2 -58,-0.2 -2,-0.1 -0.183 35.6-119.2 -58.6 138.8 -7.1 19.5 -6.5 440 440 A V - 0 0 14 -21,-0.1 -1,-0.1 1,-0.1 -11,-0.1 -0.495 34.5-101.8 -73.1 142.3 -9.9 17.2 -7.5 441 441 A N > - 0 0 5 -21,-0.3 3,-1.4 -2,-0.2 -1,-0.1 -0.461 24.3-131.3 -63.2 132.8 -9.7 15.5 -10.9 442 442 A P G > S+ 0 0 75 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.754 99.3 76.9 -59.9 -23.5 -11.9 17.2 -13.4 443 443 A N G >> + 0 0 25 1,-0.3 4,-3.0 2,-0.1 3,-1.4 0.394 63.2 100.5 -70.8 9.1 -13.4 13.8 -14.5 444 444 A Y G <4 + 0 0 54 -3,-1.4 -1,-0.3 1,-0.3 -3,-0.0 0.791 67.2 71.0 -63.5 -24.8 -15.5 13.8 -11.3 445 445 A T G <4 S+ 0 0 58 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.1 0.816 115.4 22.7 -60.5 -31.7 -18.4 15.0 -13.5 446 446 A E T <4 S+ 0 0 108 -3,-1.4 2,-0.7 1,-0.2 -2,-0.2 0.746 123.9 56.8-100.0 -36.3 -18.5 11.4 -15.0 447 447 A I S < S+ 0 0 1 -4,-3.0 2,-0.3 -23,-0.1 -1,-0.2 -0.868 72.3 118.9-109.1 103.1 -16.8 9.5 -12.2 448 448 A N > - 0 0 3 -2,-0.7 4,-1.4 1,-0.1 3,-0.5 -0.976 64.8-115.7-161.8 153.9 -18.4 9.8 -8.8 449 449 A A H >> S+ 0 0 2 -27,-2.0 4,-2.7 -2,-0.3 3,-0.6 0.932 109.4 57.5 -61.8 -50.7 -20.1 7.6 -6.2 450 450 A A H 3> S+ 0 0 63 -27,-2.9 4,-0.6 1,-0.3 -1,-0.2 0.820 109.9 45.9 -49.9 -36.5 -23.6 9.1 -6.4 451 451 A R H 34 S+ 0 0 136 -3,-0.5 4,-0.3 -28,-0.2 -1,-0.3 0.823 117.1 43.2 -78.8 -29.3 -23.8 8.3 -10.2 452 452 A E H X< S+ 0 0 10 -4,-1.4 3,-0.9 -3,-0.6 6,-0.3 0.832 99.8 68.1 -86.9 -28.0 -22.4 4.8 -9.8 453 453 A I H 3< S+ 0 0 74 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.1 0.829 104.1 42.9 -66.4 -31.4 -24.4 3.5 -6.8 454 454 A G T 3< S+ 0 0 69 -4,-0.6 -1,-0.3 -5,-0.2 -2,-0.1 0.617 97.3 88.3 -86.8 -11.1 -27.7 3.5 -8.6 455 455 A D X - 0 0 71 -3,-0.9 3,-2.5 -4,-0.3 6,-0.4 -0.799 59.9-159.4-103.9 108.5 -26.5 2.0 -11.8 456 456 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.659 96.1 51.2 -51.0 -24.3 -26.4 -1.8 -12.0 457 457 A K T 3 S+ 0 0 166 4,-0.1 -5,-0.0 5,-0.0 -2,-0.0 0.342 88.8 114.1 -98.0 2.2 -23.9 -1.6 -14.9 458 458 A S S <> S- 0 0 4 -3,-2.5 4,-1.9 -6,-0.3 5,-0.1 -0.172 79.0-112.8 -75.4 166.1 -21.4 0.8 -13.0 459 459 A V H > S+ 0 0 1 -90,-0.3 4,-2.1 1,-0.2 5,-0.2 0.936 119.0 52.7 -62.9 -44.4 -17.9 0.0 -11.9 460 460 A Y H > S+ 0 0 16 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.911 108.2 49.7 -51.8 -48.2 -19.1 0.3 -8.2 461 461 A S H > S+ 0 0 11 -6,-0.4 4,-2.4 -9,-0.3 -1,-0.2 0.877 109.0 52.0 -66.6 -36.4 -21.9 -2.2 -8.8 462 462 A F H X S+ 0 0 14 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.906 111.0 47.0 -65.1 -42.3 -19.5 -4.7 -10.4 463 463 A Y H X S+ 0 0 10 -4,-2.1 4,-2.3 -95,-0.3 -2,-0.2 0.917 111.7 52.1 -63.9 -45.2 -17.1 -4.5 -7.4 464 464 A R H X S+ 0 0 108 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.926 110.7 47.4 -56.6 -46.0 -20.0 -4.9 -5.1 465 465 A N H X S+ 0 0 66 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.878 111.4 50.2 -64.1 -40.4 -21.1 -8.0 -6.9 466 466 A L H X S+ 0 0 4 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.852 107.3 54.6 -63.9 -36.9 -17.6 -9.5 -7.0 467 467 A I H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.880 109.2 49.2 -67.6 -33.1 -17.3 -8.9 -3.3 468 468 A S H X S+ 0 0 45 -4,-1.6 4,-1.5 -5,-0.2 -2,-0.2 0.951 111.2 48.1 -67.9 -48.8 -20.5 -10.9 -2.8 469 469 A I H < S+ 0 0 22 -4,-2.3 4,-0.5 1,-0.2 3,-0.3 0.919 112.6 48.1 -58.3 -46.3 -19.4 -13.8 -5.0 470 470 A R H >< S+ 0 0 5 -4,-2.5 3,-1.7 1,-0.2 6,-0.2 0.943 108.9 53.5 -61.0 -48.0 -16.0 -14.1 -3.3 471 471 A H H 3< S+ 0 0 82 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.801 114.2 43.3 -54.8 -32.2 -17.6 -14.0 0.2 472 472 A E T 3< S+ 0 0 149 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.409 106.8 66.4 -95.2 -0.6 -19.9 -16.9 -0.8 473 473 A T X - 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0 0 2 -4,-2.3 3,-1.5 -5,-0.2 4,-0.3 -0.129 60.9-132.1 -60.5 144.6 50.1 45.7 21.0 972 414 B R G > S+ 0 0 15 1,-0.3 3,-1.3 -87,-0.2 -86,-0.3 0.683 101.0 74.3 -59.7 -23.4 51.8 43.3 23.4 973 415 B D G > S+ 0 0 0 1,-0.3 3,-1.4 2,-0.2 4,-0.5 0.706 77.8 72.6 -73.5 -18.4 53.9 42.1 20.6 974 416 B N G < S+ 0 0 0 -3,-1.5 3,-0.3 1,-0.3 -1,-0.3 0.800 102.8 43.9 -60.4 -26.6 56.0 45.3 20.6 975 417 B A G < S+ 0 0 1 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.388 106.7 62.9 -98.2 2.3 57.5 43.9 23.9 976 418 B R < + 0 0 2 -3,-1.4 -1,-0.2 -4,-0.1 -2,-0.2 0.371 65.5 117.0-115.8 -1.5 58.0 40.4 22.6 977 419 B T S S- 0 0 2 -4,-0.5 21,-0.1 -3,-0.3 20,-0.1 -0.462 83.2 -79.1 -67.2 144.4 60.4 40.8 19.8 978 420 B P - 0 0 0 0, 0.0 21,-0.3 0, 0.0 -400,-0.2 -0.071 51.6 -98.1 -50.8 141.5 63.7 38.9 20.6 979 421 B F - 0 0 0 -402,-2.8 2,-0.9 -3,-0.1 -55,-0.1 -0.313 37.0-123.6 -57.0 142.9 66.2 40.5 22.9 980 422 B Q + 0 0 0 1,-0.2 27,-2.1 -3,-0.1 8,-0.1 -0.764 41.1 162.2-102.9 96.7 68.9 42.2 21.0 981 423 B W - 0 0 12 6,-2.0 27,-3.0 -2,-0.9 7,-0.2 0.909 62.8 -31.4 -82.8 -47.8 72.3 40.8 22.1 982 424 B D - 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