==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 19-AUG-12 4GO8 . COMPND 2 MOLECULE: SUCROSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS MESOACIDOPHILA; . AUTHOR A.LIPSKI,R.HASER,N.AGHAJARI . 1109 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40490.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 712 64.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 5.8 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 . 50 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 160 14.4 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 . 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 7 2 2 2 0 2 2 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 6 6 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 0 6 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 0 118 0, 0.0 5,-0.1 0, 0.0 474,-0.0 0.000 360.0 360.0 360.0 137.0 -9.2 -20.4 8.2 2 5 A P >> - 0 0 50 0, 0.0 3,-1.4 0, 0.0 4,-0.6 -0.159 360.0-111.9 -61.5 154.1 -8.7 -17.0 9.9 3 6 A W H >> S+ 0 0 63 1,-0.3 3,-0.8 2,-0.2 4,-0.6 0.778 112.1 62.0 -58.0 -31.7 -11.2 -14.1 9.2 4 7 A W H 34 S+ 0 0 32 1,-0.2 -1,-0.3 2,-0.2 5,-0.1 0.737 92.5 63.8 -72.7 -22.2 -8.5 -12.1 7.3 5 8 A K H <4 S+ 0 0 44 -3,-1.4 -1,-0.2 1,-0.2 351,-0.2 0.772 114.7 31.6 -71.4 -25.5 -8.0 -14.7 4.6 6 9 A S H << S+ 0 0 59 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.2 0.379 100.5 107.8-111.1 1.7 -11.6 -14.3 3.4 7 10 A A < - 0 0 3 -4,-0.6 2,-0.5 -3,-0.1 36,-0.1 -0.424 61.1-140.6 -79.2 152.6 -11.9 -10.6 4.3 8 11 A V - 0 0 0 34,-0.2 36,-2.0 349,-0.1 37,-1.3 -0.974 22.6-154.5-113.4 118.3 -12.0 -7.8 1.7 9 12 A F E -ab 45 359A 1 349,-2.6 351,-2.4 -2,-0.5 2,-0.4 -0.579 8.1-156.4 -94.1 154.7 -10.1 -4.7 2.9 10 13 A Y E -ab 46 360A 0 35,-2.0 37,-2.1 349,-0.2 2,-0.6 -0.998 14.0-140.1-127.1 130.5 -10.6 -1.1 2.0 11 14 A Q E -ab 47 361A 2 349,-3.1 351,-1.8 -2,-0.4 2,-0.6 -0.829 14.9-163.4 -95.8 121.4 -7.8 1.4 2.3 12 15 A V E -a 48 0A 0 35,-2.6 37,-1.9 -2,-0.6 3,-0.1 -0.902 11.9-163.6-105.2 122.6 -8.7 4.8 3.6 13 16 A Y > - 0 0 2 -2,-0.6 3,-2.3 35,-0.2 4,-0.4 -0.859 14.4-162.5 -98.8 92.7 -6.3 7.7 3.1 14 17 A P G >> S+ 0 0 1 0, 0.0 3,-0.8 0, 0.0 4,-0.6 0.743 81.5 64.4 -56.2 -32.8 -8.0 10.0 5.7 15 18 A R G 34 S+ 0 0 24 1,-0.2 11,-2.2 44,-0.1 419,-0.2 0.793 118.3 26.1 -58.4 -30.3 -6.3 13.2 4.4 16 19 A S G <4 S+ 0 0 0 -3,-2.3 402,-3.2 9,-0.2 -1,-0.2 0.210 106.2 79.4-121.8 14.0 -8.2 12.8 1.1 17 20 A F T <4 S- 0 0 1 -3,-0.8 2,-0.3 -4,-0.4 -2,-0.1 0.958 103.5 -18.7 -87.6 -67.9 -11.3 10.8 2.1 18 21 A K < - 0 0 31 -4,-0.6 9,-2.3 9,-0.2 12,-0.4 -0.906 51.3-155.7-152.3 122.6 -13.8 13.2 3.6 19 22 A D + 0 0 6 409,-2.1 7,-0.2 -2,-0.3 -4,-0.0 -0.746 11.6 176.4 -94.2 138.5 -13.6 16.7 5.2 20 23 A T S S+ 0 0 60 5,-0.4 -1,-0.1 -2,-0.3 6,-0.1 0.339 75.4 44.1-124.0 5.1 -16.2 17.8 7.7 21 24 A N S S- 0 0 110 4,-0.3 408,-0.1 0, 0.0 5,-0.0 0.226 103.1-111.9-135.4 14.4 -15.0 21.3 8.8 22 25 A G S S+ 0 0 25 1,-0.1 410,-0.5 409,-0.1 407,-0.1 0.627 80.1 122.5 69.2 16.9 -14.0 23.0 5.6 23 26 A D S S- 0 0 69 2,-0.3 -1,-0.1 408,-0.1 3,-0.1 0.489 83.1-114.7 -86.6 -2.3 -10.3 23.1 6.3 24 27 A G S S+ 0 0 0 1,-0.2 410,-2.2 409,-0.1 2,-0.4 0.428 85.3 103.7 86.3 -0.5 -9.7 21.2 3.1 25 28 A I S S- 0 0 20 408,-0.2 -5,-0.4 409,-0.1 -2,-0.3 -0.955 72.8-119.3-118.2 131.9 -8.3 18.1 4.9 26 29 A G - 0 0 0 -11,-2.2 -7,-0.3 -2,-0.4 2,-0.2 -0.231 36.8-173.4 -62.5 157.0 -10.2 14.9 5.5 27 30 A D > - 0 0 10 -9,-2.3 4,-1.6 1,-0.1 -9,-0.2 -0.835 39.5 -90.3-146.1 177.9 -10.8 13.9 9.1 28 31 A F H > S+ 0 0 0 45,-2.9 4,-2.9 -2,-0.2 5,-0.2 0.879 121.2 55.0 -63.9 -42.2 -12.1 11.1 11.4 29 32 A K H > S+ 0 0 34 44,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.870 105.9 54.6 -59.4 -37.0 -15.7 12.5 11.4 30 33 A G H 4 S+ 0 0 0 -12,-0.4 4,-0.5 2,-0.2 -1,-0.2 0.909 111.2 42.9 -62.6 -45.0 -15.6 12.3 7.6 31 34 A L H >< S+ 0 0 1 -4,-1.6 3,-1.0 -13,-0.2 -2,-0.2 0.917 113.4 53.1 -65.7 -43.8 -14.7 8.6 7.6 32 35 A T H >< S+ 0 0 26 -4,-2.9 3,-1.3 1,-0.3 4,-0.3 0.896 107.1 50.8 -60.3 -43.2 -17.2 7.9 10.4 33 36 A E T 3< S+ 0 0 125 -4,-2.5 -1,-0.3 1,-0.2 3,-0.2 0.635 110.9 51.8 -69.3 -13.1 -20.1 9.5 8.5 34 37 A K T <> S+ 0 0 54 -3,-1.0 4,-1.6 -4,-0.5 -1,-0.2 0.235 75.4 100.7-109.7 12.5 -19.1 7.4 5.5 35 38 A L H <> S+ 0 0 0 -3,-1.3 4,-2.7 1,-0.2 5,-0.2 0.818 78.3 58.8 -67.1 -30.6 -19.0 4.0 7.1 36 39 A D H > S+ 0 0 104 -4,-0.3 4,-2.2 -3,-0.2 -1,-0.2 0.852 103.7 52.7 -66.6 -34.4 -22.5 3.1 5.8 37 40 A Y H > S+ 0 0 23 -3,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.943 112.8 43.1 -62.4 -48.8 -21.1 3.6 2.2 38 41 A L H X>S+ 0 0 0 -4,-1.6 5,-2.2 2,-0.2 4,-0.9 0.883 114.0 50.6 -66.9 -40.7 -18.2 1.2 2.9 39 42 A K H ><5S+ 0 0 97 -4,-2.7 3,-0.7 1,-0.2 -1,-0.2 0.910 108.8 52.7 -61.7 -42.6 -20.5 -1.3 4.6 40 43 A G H 3<5S+ 0 0 43 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.793 103.5 57.2 -63.7 -29.5 -22.9 -1.1 1.7 41 44 A L H 3<5S- 0 0 0 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.757 123.2-107.1 -72.2 -24.9 -20.0 -1.8 -0.7 42 45 A G T <<5 + 0 0 21 -4,-0.9 -34,-0.2 -3,-0.7 -3,-0.2 0.527 59.9 164.1 110.5 12.7 -19.4 -5.0 1.2 43 46 A I < - 0 0 2 -5,-2.2 -1,-0.2 1,-0.1 -34,-0.2 -0.420 20.8-174.5 -70.9 131.5 -16.2 -4.0 3.1 44 47 A D + 0 0 49 -36,-2.0 48,-2.0 1,-0.3 2,-0.3 0.805 68.3 9.6 -91.9 -37.3 -15.2 -6.2 6.0 45 48 A A E -ac 9 92A 0 -37,-1.3 -35,-2.0 46,-0.2 2,-0.5 -0.992 62.1-141.5-148.9 152.3 -12.2 -4.2 7.3 46 49 A I E -ac 10 93A 0 46,-2.4 48,-3.7 -2,-0.3 2,-0.6 -0.962 2.9-156.2-121.0 127.0 -10.5 -0.8 6.8 47 50 A W E -ac 11 94A 3 -37,-2.1 -35,-2.6 -2,-0.5 2,-0.4 -0.912 20.3-161.3 -94.3 119.1 -6.8 -0.1 6.8 48 51 A I E -a 12 0A 0 46,-2.6 48,-0.5 -2,-0.6 -35,-0.2 -0.816 16.9-119.9-100.9 142.8 -6.3 3.6 7.6 49 52 A N - 0 0 2 -37,-1.9 47,-0.1 -2,-0.4 11,-0.1 -0.314 64.9 -47.0 -72.3 163.1 -3.1 5.5 6.9 50 53 A P + 0 0 1 0, 0.0 -1,-0.2 0, 0.0 11,-0.1 0.027 54.1 177.5 -44.0 129.4 -1.3 7.1 9.8 51 54 A H + 0 0 0 45,-0.3 19,-2.4 -3,-0.2 2,-0.1 0.079 42.4 110.2-121.1 18.2 -3.6 8.9 12.2 52 55 A Y E S-H 69 0B 2 17,-0.3 17,-0.3 8,-0.3 14,-0.1 -0.473 83.4 -68.4 -96.4 166.7 -1.1 10.0 14.8 53 56 A A E +H 65 0B 19 15,-1.7 11,-2.3 12,-0.9 12,-1.0 -0.296 68.1 162.0 -55.1 129.3 0.3 13.4 15.8 54 57 A S - 0 0 16 9,-0.2 9,-0.2 10,-0.2 17,-0.1 -0.979 53.4-139.8-158.6 135.8 2.5 14.6 12.9 55 58 A P - 0 0 60 0, 0.0 4,-0.1 0, 0.0 8,-0.1 0.539 52.3-130.5 -69.2 -8.2 4.1 17.7 11.4 56 59 A N > + 0 0 27 6,-0.5 3,-0.7 2,-0.1 7,-0.1 0.812 62.4 142.3 62.6 37.1 3.0 16.1 8.1 57 60 A T T 3 S+ 0 0 31 1,-0.2 325,-0.2 5,-0.2 -1,-0.1 0.733 95.6 20.8 -72.9 -22.1 6.3 16.5 6.2 58 61 A D T > S- 0 0 7 4,-0.1 3,-1.9 106,-0.1 -1,-0.2 -0.220 121.9-101.8-136.5 41.4 5.3 13.0 4.9 59 62 A N T < S- 0 0 9 -3,-0.7 -44,-0.1 1,-0.3 -2,-0.0 0.826 93.6 -23.5 41.3 58.8 1.6 13.3 5.6 60 63 A G T 3 S+ 0 0 0 2,-0.2 -1,-0.3 -11,-0.1 -8,-0.3 0.016 117.0 94.8 105.4 -27.4 1.4 11.1 8.7 61 64 A Y S < S+ 0 0 4 -3,-1.9 2,-0.5 1,-0.2 -2,-0.1 0.375 73.9 70.4 -84.7 6.1 4.5 9.0 8.3 62 65 A D S S- 0 0 0 -10,-0.1 -6,-0.5 -12,-0.1 2,-0.5 -0.816 77.2-166.4-117.4 89.4 6.5 11.4 10.5 63 66 A I + 0 0 0 -2,-0.5 40,-2.9 38,-0.3 -9,-0.2 -0.642 22.8 176.8 -89.2 123.8 5.1 10.8 13.9 64 67 A S S S+ 0 0 30 -11,-2.3 43,-0.6 -2,-0.5 2,-0.3 0.562 81.9 20.2 -98.4 -13.3 5.9 13.2 16.8 65 68 A D E > -H 53 0B 64 -12,-1.0 -12,-0.9 3,-0.2 3,-0.9 -0.818 60.1-166.1-157.1 115.2 3.7 11.4 19.3 66 69 A Y E 3 S+ 0 0 8 -2,-0.3 -1,-0.0 1,-0.2 -2,-0.0 0.636 89.9 52.8 -78.2 -14.4 2.6 7.8 18.9 67 70 A R E 3 S+ 0 0 102 2,-0.1 2,-0.3 -15,-0.0 -1,-0.2 0.154 100.3 72.1-109.4 18.0 -0.1 8.0 21.6 68 71 A E E < S- 0 0 103 -3,-0.9 -15,-1.7 -15,-0.1 2,-0.2 -0.960 78.5-116.8-132.1 151.8 -1.9 11.0 20.3 69 72 A V E -H 52 0B 12 -2,-0.3 -17,-0.3 -17,-0.3 7,-0.1 -0.590 41.0 -94.0 -86.5 145.5 -4.2 11.6 17.3 70 73 A M >> - 0 0 0 -19,-2.4 4,-1.5 -2,-0.2 3,-0.8 -0.374 31.2-131.2 -56.5 131.9 -3.3 13.9 14.4 71 74 A K T 34 S+ 0 0 84 1,-0.3 3,-0.2 2,-0.2 -1,-0.1 0.861 105.0 55.1 -55.4 -40.8 -4.8 17.4 15.0 72 75 A E T 34 S+ 0 0 65 1,-0.2 -1,-0.3 -45,-0.1 -49,-0.1 0.815 108.5 47.8 -63.9 -31.9 -6.2 17.6 11.5 73 76 A Y T <4 S- 0 0 3 -3,-0.8 -45,-2.9 1,-0.3 -44,-0.5 0.760 116.8-106.9 -84.3 -25.2 -8.1 14.3 11.9 74 77 A G < - 0 0 18 -4,-1.5 -1,-0.3 -3,-0.2 2,-0.2 -0.971 43.4 -47.2 138.5-152.8 -9.6 15.0 15.3 75 78 A T > - 0 0 77 -2,-0.3 4,-1.5 -3,-0.1 3,-0.1 -0.523 55.6 -94.6-111.7-180.0 -9.2 14.0 18.9 76 79 A M H > S+ 0 0 44 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.839 125.5 58.6 -65.1 -32.5 -8.9 10.6 20.7 77 80 A E H > S+ 0 0 154 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.888 103.3 51.9 -61.4 -40.3 -12.7 10.7 21.2 78 81 A D H > S+ 0 0 62 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.858 110.0 49.2 -65.1 -36.6 -13.2 10.9 17.5 79 82 A F H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.935 111.1 48.9 -65.9 -47.3 -10.9 7.9 17.1 80 83 A D H X S+ 0 0 72 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.880 109.7 52.9 -59.0 -40.1 -12.9 6.0 19.7 81 84 A R H X S+ 0 0 44 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.868 107.8 50.9 -64.3 -38.6 -16.1 7.0 18.0 82 85 A L H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.931 111.3 48.3 -62.1 -46.6 -14.8 5.6 14.7 83 86 A M H X S+ 0 0 30 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.922 112.8 48.2 -57.2 -48.1 -13.9 2.3 16.5 84 87 A A H X S+ 0 0 47 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.903 112.3 47.7 -61.8 -44.3 -17.3 2.1 18.1 85 88 A E H X S+ 0 0 54 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.805 111.3 51.5 -70.6 -30.0 -19.1 2.8 14.8 86 89 A L H <>S+ 0 0 3 -4,-2.1 5,-3.5 -5,-0.2 3,-0.4 0.893 110.3 49.3 -68.2 -40.6 -17.0 0.2 13.0 87 90 A K H ><5S+ 0 0 173 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.839 103.8 58.8 -69.9 -33.6 -17.8 -2.3 15.7 88 91 A K H 3<5S+ 0 0 155 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.791 110.8 43.3 -63.6 -28.3 -21.6 -1.6 15.5 89 92 A R T 3<5S- 0 0 51 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.353 118.0-114.1 -97.9 3.6 -21.4 -2.6 11.8 90 93 A G T < 5S+ 0 0 59 -3,-1.1 2,-0.3 1,-0.3 -3,-0.2 0.769 70.1 142.7 68.8 26.5 -19.2 -5.6 12.6 91 94 A M < - 0 0 8 -5,-3.5 2,-0.3 -6,-0.1 -1,-0.3 -0.759 41.1-139.9-101.2 146.7 -16.3 -4.0 10.7 92 95 A R E -c 45 0A 95 -48,-2.0 -46,-2.4 -2,-0.3 2,-0.4 -0.708 8.4-136.6-106.6 156.8 -12.7 -4.2 11.8 93 96 A L E -c 46 0A 6 -2,-0.3 99,-1.2 97,-0.3 100,-1.2 -0.935 9.1-165.4-117.4 132.2 -9.9 -1.6 11.7 94 97 A M E -cd 47 193A 0 -48,-3.7 -46,-2.6 -2,-0.4 100,-0.2 -0.972 16.1-158.4-111.2 123.8 -6.3 -1.9 10.6 95 98 A V E - d 0 194A 0 98,-2.3 100,-2.8 -2,-0.5 2,-0.4 -0.659 20.1-109.8-100.2 159.1 -4.0 0.9 11.7 96 99 A D E - d 0 195A 0 -48,-0.5 2,-0.6 -2,-0.2 -45,-0.3 -0.726 25.7-157.2 -89.8 130.7 -0.7 2.0 10.2 97 100 A V E - d 0 196A 3 98,-3.6 100,-2.2 -2,-0.4 2,-0.7 -0.932 10.0-176.9-113.3 114.8 2.4 1.3 12.3 98 101 A V + 0 0 1 -2,-0.6 -35,-0.2 98,-0.2 100,-0.1 -0.780 28.6 136.3-115.5 86.5 5.4 3.5 11.4 99 102 A I + 0 0 1 -2,-0.7 -1,-0.1 98,-0.4 3,-0.1 0.163 48.9 85.2-123.5 16.8 8.3 2.4 13.6 100 103 A N S S- 0 0 0 1,-0.3 68,-1.9 97,-0.2 2,-0.3 0.740 112.3 -3.8 -76.2 -26.6 11.3 2.4 11.2 101 104 A H B -I 167 0C 2 66,-0.3 -38,-0.3 -40,-0.1 -1,-0.3 -0.970 65.2-147.3-157.1 162.3 11.5 6.1 12.0 102 105 A S - 0 0 0 64,-2.0 -38,-0.2 -2,-0.3 2,-0.2 -0.691 39.4 -80.7-121.7-179.3 9.9 8.9 14.0 103 106 A S > - 0 0 0 -40,-2.9 3,-1.0 -2,-0.2 6,-0.3 -0.515 32.8-126.4 -74.6 154.8 9.5 12.6 13.5 104 107 A D T 3 S+ 0 0 26 60,-1.4 -1,-0.1 1,-0.2 61,-0.1 0.562 112.4 63.5 -77.2 -7.7 12.4 14.8 14.4 105 108 A Q T 3 S+ 0 0 86 59,-0.3 -1,-0.2 4,-0.1 -41,-0.1 0.473 77.2 114.1 -91.5 -5.3 9.9 16.7 16.5 106 109 A H S X> S- 0 0 12 -3,-1.0 4,-2.0 -43,-0.2 3,-0.7 -0.428 78.3-122.7 -64.5 141.1 9.3 13.6 18.7 107 110 A E H 3> S+ 0 0 116 -43,-0.6 4,-2.1 1,-0.3 5,-0.2 0.799 110.2 62.0 -58.3 -31.2 10.5 14.0 22.2 108 111 A W H 3> S+ 0 0 29 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.917 108.5 41.5 -58.8 -44.8 12.8 11.0 21.9 109 112 A F H <> S+ 0 0 3 -3,-0.7 4,-2.6 -6,-0.3 -2,-0.2 0.878 109.4 57.2 -74.5 -39.5 14.7 12.8 19.1 110 113 A K H < S+ 0 0 98 -4,-2.0 4,-0.2 1,-0.2 -1,-0.2 0.919 116.1 37.6 -55.5 -46.1 14.8 16.2 20.8 111 114 A S H >X S+ 0 0 40 -4,-2.1 3,-1.6 -5,-0.2 4,-0.6 0.908 112.4 60.0 -69.5 -43.5 16.5 14.6 23.8 112 115 A S H >< S+ 0 0 0 -4,-2.4 3,-0.6 1,-0.3 6,-0.2 0.877 104.7 48.2 -51.9 -44.3 18.6 12.3 21.6 113 116 A R T 3< S+ 0 0 92 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.521 90.7 84.5 -80.2 -4.4 20.3 15.1 19.8 114 117 A A T <4 S- 0 0 39 -3,-1.6 2,-0.3 -4,-0.2 -1,-0.2 0.904 106.3 -25.1 -66.4 -43.5 21.1 17.0 23.0 115 118 A S X< - 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0 0 75 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.525 35.6-112.6 -83.8 160.0 40.3 45.1 8.5 955 402 B A H > S+ 0 0 43 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.865 119.2 53.6 -59.2 -36.2 43.3 42.8 8.8 956 403 B E H > S+ 0 0 78 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.888 105.4 51.6 -67.5 -42.0 45.5 45.8 8.1 957 404 B E H > S+ 0 0 100 2,-0.2 4,-1.6 1,-0.2 5,-0.2 0.895 111.1 48.9 -61.8 -40.6 44.0 47.9 10.9 958 405 B L H X S+ 0 0 0 -4,-2.0 4,-3.2 2,-0.2 5,-0.3 0.946 112.5 48.5 -62.5 -48.3 44.6 45.0 13.3 959 406 B L H X S+ 0 0 30 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.935 110.1 49.7 -55.7 -53.2 48.2 44.7 12.0 960 407 B T H < S+ 0 0 89 -4,-2.8 -1,-0.2 1,-0.2 4,-0.2 0.832 121.3 34.9 -59.6 -35.6 49.1 48.4 12.3 961 408 B N H >< S+ 0 0 50 -4,-1.6 3,-1.6 -5,-0.2 4,-0.4 0.911 115.0 51.0 -87.2 -47.1 47.7 48.6 15.9 962 409 B V H >X S+ 0 0 0 -4,-3.2 4,-3.0 1,-0.3 3,-0.8 0.710 95.6 74.3 -68.7 -18.0 48.6 45.3 17.4 963 410 B A T 3< S+ 0 0 17 -4,-1.6 -1,-0.3 -5,-0.3 -36,-0.2 0.761 99.3 45.6 -62.9 -25.3 52.2 45.7 16.2 964 411 B L T <4 S+ 0 0 99 -3,-1.6 -1,-0.2 -4,-0.2 -2,-0.2 0.578 125.2 29.4 -93.8 -11.6 52.6 48.3 19.0 965 412 B T T <4 S+ 0 0 2 -3,-0.8 -2,-0.2 -4,-0.4 -3,-0.1 0.618 83.9 123.9-121.6 -21.6 51.0 46.2 21.7 966 413 B S >< - 0 0 1 -4,-3.0 3,-1.4 1,-0.1 4,-0.2 -0.076 60.1-133.9 -55.8 142.5 51.5 42.5 20.9 967 414 B R G > S+ 0 0 18 1,-0.3 3,-1.8 2,-0.2 4,-0.3 0.772 101.9 73.2 -63.9 -27.8 53.2 40.2 23.4 968 415 B D G >> S+ 0 0 0 1,-0.3 3,-0.9 2,-0.2 4,-0.5 0.705 78.8 75.8 -61.6 -20.9 55.3 38.8 20.6 969 416 B N G <4 S+ 0 0 0 -3,-1.4 -1,-0.3 1,-0.3 3,-0.2 0.805 102.4 39.4 -56.9 -30.6 57.3 42.1 20.7 970 417 B A G <4 S+ 0 0 1 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.469 108.1 65.3 -97.2 -4.4 58.9 40.8 23.8 971 418 B R T <4 + 0 0 1 -3,-0.9 -2,-0.2 -4,-0.3 -1,-0.2 0.380 64.8 118.7-107.7 1.6 59.3 37.2 22.6 972 419 B T S < S- 0 0 1 -4,-0.5 21,-0.1 -3,-0.2 3,-0.1 -0.483 82.4 -81.2 -65.4 141.1 61.7 37.7 19.7 973 420 B P - 0 0 0 0, 0.0 21,-0.3 0, 0.0 -400,-0.2 -0.080 50.6 -98.3 -50.9 138.0 64.9 35.6 20.5 974 421 B F - 0 0 0 -402,-2.9 2,-1.0 1,-0.1 -55,-0.1 -0.290 36.6-125.3 -55.3 138.9 67.5 37.2 22.8 975 422 B Q + 0 0 0 1,-0.2 27,-2.4 -3,-0.1 8,-0.1 -0.764 38.6 165.4 -99.9 97.6 70.3 38.8 20.7 976 423 B W - 0 0 13 6,-2.0 27,-2.8 -2,-1.0 2,-0.2 0.886 62.4 -26.2 -81.6 -41.7 73.6 37.4 21.9 977 424 B D S S- 0 0 49 5,-1.6 7,-0.1 25,-0.2 25,-0.1 -0.781 70.6 -83.6-152.7-162.7 75.9 38.5 19.0 978 425 B D S S+ 0 0 110 -2,-0.2 3,-0.1 20,-0.1 20,-0.1 0.084 87.9 103.8-106.2 23.8 76.0 39.4 15.4 979 426 B S S > S- 0 0 55 1,-0.2 3,-1.8 18,-0.1 5,-0.1 -0.151 89.0 -37.7 -87.2-170.0 76.2 35.9 14.0 980 427 B A G > S- 0 0 67 1,-0.3 3,-1.4 2,-0.2 5,-0.4 -0.299 132.6 -4.5 -55.9 124.2 73.4 33.9 12.4 981 428 B N G > S- 0 0 50 1,-0.3 3,-2.3 2,-0.2 4,-0.5 0.856 125.7 -67.9 55.7 39.8 70.1 34.6 14.2 982 429 B A G < S- 0 0 0 -3,-1.8 -6,-2.0 1,-0.3 -5,-1.6 0.703 84.9 -72.2 57.6 22.6 71.9 36.7 16.7 983 430 B G G < S+ 0 0 15 -3,-1.4 -1,-0.3 2,-0.3 -2,-0.2 0.608 110.8 116.7 69.9 11.7 73.6 33.6 18.1 984 431 B F S < S+ 0 0 0 -3,-2.3 -409,-2.0 1,-0.2 2,-0.3 0.888 82.1 1.4 -74.9 -41.2 70.3 32.5 19.6 985 432 B T - 0 0 6 -4,-0.5 -2,-0.3 -5,-0.4 -1,-0.2 -0.949 49.0-142.2-144.5 160.7 70.1 29.3 17.5 986 433 B T S S+ 0 0 133 -2,-0.3 2,-0.1 -3,-0.1 -5,-0.1 0.436 94.2 43.1 -99.2 -5.4 72.0 27.4 14.8 987 434 B G S S- 0 0 25 -6,-0.1 -2,-0.2 -7,-0.1 -408,-0.2 -0.036 113.5 -48.2-112.6-144.1 68.7 26.5 13.2 988 435 B K - 0 0 176 -410,-0.4 -2,-0.1 -2,-0.1 4,-0.1 -0.878 58.3-126.5-102.5 113.7 65.4 28.4 12.3 989 436 B P - 0 0 10 0, 0.0 -408,-0.2 0, 0.0 -409,-0.1 -0.243 11.7-127.9 -60.2 142.6 64.1 30.4 15.3 990 437 B W S S+ 0 0 41 -410,-2.4 2,-0.4 -419,-0.2 -409,-0.1 0.810 103.0 30.2 -60.3 -30.3 60.5 29.7 16.3 991 438 B L S S- 0 0 10 -411,-0.3 -1,-0.2 -20,-0.1 -56,-0.1 -0.997 104.2 -98.3-130.5 137.6 60.0 33.5 16.1 992 439 B K - 0 0 84 -2,-0.4 2,-0.2 -58,-0.2 -2,-0.1 -0.199 36.1-118.7 -59.3 137.6 62.0 35.7 13.7 993 440 B V - 0 0 18 -21,-0.1 -1,-0.1 1,-0.1 -11,-0.1 -0.541 33.9-102.9 -75.8 138.5 65.0 37.6 15.1 994 441 B N > - 0 0 7 -21,-0.3 3,-1.7 -2,-0.2 -1,-0.1 -0.461 23.8-132.8 -63.1 126.5 64.9 41.4 15.0 995 442 B P G > S+ 0 0 75 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.729 100.5 73.8 -51.6 -27.0 67.1 42.7 12.1 996 443 B N G >> + 0 0 39 1,-0.2 4,-2.2 2,-0.1 3,-1.6 0.357 64.6 99.8 -73.4 8.5 68.6 45.2 14.5 997 444 B Y G <4 + 0 0 55 -3,-1.7 -1,-0.2 1,-0.3 -18,-0.1 0.768 69.7 68.6 -63.9 -25.4 70.6 42.5 16.2 998 445 B T G <4 S+ 0 0 89 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.1 0.687 115.7 25.3 -66.4 -19.0 73.6 43.6 14.1 999 446 B E T <4 S+ 0 0 55 -3,-1.6 2,-0.6 1,-0.2 -2,-0.2 0.561 124.1 54.9-115.9 -21.1 73.6 46.8 16.2 1000 447 B I S < S+ 0 0 4 -4,-2.2 2,-0.3 -23,-0.1 -1,-0.2 -0.912 73.2 123.1-120.1 103.3 72.0 45.4 19.3 1001 448 B N > - 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