==== 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 4H8U . COMPND 2 MOLECULE: SUCROSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHIZOBIUM; . AUTHOR A.LIPSKI,R.HASER,N.AGHAJARI . 1108 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41365.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 733 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 113 10.2 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 . 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 . 52 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 167 15.1 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 6 8 2 2 1 0 2 4 2 5 0 3 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 . 10 4 0 6 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 4 A A 0 0 121 0, 0.0 5,-0.1 0, 0.0 474,-0.0 0.000 360.0 360.0 360.0 101.7 -8.2 -20.1 8.4 2 5 A P >> - 0 0 52 0, 0.0 3,-1.5 0, 0.0 4,-0.6 -0.166 360.0-105.0 -67.9 166.4 -8.3 -16.8 10.3 3 6 A W G >4 S+ 0 0 58 1,-0.3 3,-0.9 2,-0.2 4,-0.3 0.819 116.7 63.2 -56.5 -33.1 -10.8 -14.1 9.6 4 7 A W G >4 S+ 0 0 30 1,-0.2 3,-0.5 2,-0.2 -1,-0.3 0.743 90.2 64.8 -73.0 -19.7 -8.2 -12.1 7.8 5 8 A K G <4 S+ 0 0 41 -3,-1.5 351,-0.3 1,-0.2 -1,-0.2 0.783 112.8 33.6 -72.8 -26.1 -7.5 -14.6 5.1 6 9 A S G << S+ 0 0 56 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.2 0.275 96.9 110.5-112.3 12.7 -11.1 -14.3 3.7 7 10 A A < - 0 0 3 -3,-0.5 2,-0.5 -4,-0.3 36,-0.1 -0.488 57.8-142.9 -82.6 154.0 -11.5 -10.5 4.5 8 11 A V - 0 0 0 34,-0.2 36,-1.3 -2,-0.1 37,-1.0 -0.996 22.7-158.8-114.6 123.0 -11.7 -7.8 1.9 9 12 A F E -ab 45 359A 1 349,-2.4 351,-2.4 -2,-0.5 2,-0.4 -0.750 10.2-155.8-103.6 156.5 -10.1 -4.6 3.0 10 13 A Y E -ab 46 360A 0 35,-2.0 37,-2.0 -2,-0.3 2,-0.5 -0.998 13.8-141.8-133.2 129.9 -10.5 -1.0 1.9 11 14 A Q E -ab 47 361A 2 349,-2.4 351,-1.9 -2,-0.4 2,-0.5 -0.828 13.9-165.4 -98.6 126.7 -7.7 1.5 2.4 12 15 A V E -a 48 0A 0 35,-2.4 37,-1.6 -2,-0.5 3,-0.1 -0.947 12.8-158.8-115.4 118.5 -8.8 5.1 3.4 13 16 A Y > - 0 0 2 -2,-0.5 3,-2.0 35,-0.2 4,-0.3 -0.870 17.7-159.1 -87.9 97.7 -6.3 7.9 3.1 14 17 A P G >> S+ 0 0 2 0, 0.0 3,-1.5 0, 0.0 4,-0.7 0.835 81.9 67.2 -58.2 -32.8 -8.1 10.1 5.5 15 18 A R G 34 S+ 0 0 29 1,-0.3 11,-3.0 44,-0.1 419,-0.2 0.786 116.0 28.4 -54.7 -26.6 -6.6 13.3 4.3 16 19 A S G <4 S+ 0 0 0 -3,-2.0 402,-2.3 9,-0.2 -1,-0.3 0.161 102.0 81.5-122.7 20.3 -8.4 12.8 1.0 17 20 A F T <4 S- 0 0 2 -3,-1.5 2,-0.3 -4,-0.3 -2,-0.1 0.935 104.5 -22.7 -93.1 -56.7 -11.5 10.9 1.8 18 21 A K < - 0 0 32 -4,-0.7 9,-2.1 9,-0.2 12,-0.3 -0.842 51.9-151.2-163.2 117.9 -14.1 13.3 3.2 19 22 A D - 0 0 6 409,-2.2 7,-0.2 7,-0.3 -4,-0.0 -0.683 11.1-179.2 -84.5 139.7 -13.8 16.8 4.8 20 23 A T S S+ 0 0 57 5,-0.4 -1,-0.1 -2,-0.3 6,-0.1 0.374 75.8 44.6-120.8 3.6 -16.5 17.8 7.3 21 24 A N S S- 0 0 106 4,-0.3 408,-0.1 0, 0.0 5,-0.0 0.202 102.4-109.8-132.7 17.2 -15.3 21.3 8.2 22 25 A G S S+ 0 0 23 1,-0.1 410,-0.7 409,-0.1 407,-0.1 0.385 82.9 118.1 76.9 -4.8 -14.3 23.2 5.0 23 26 A D S S- 0 0 69 2,-0.2 -1,-0.1 408,-0.2 3,-0.1 0.519 85.2-116.3 -75.4 1.3 -10.6 23.3 5.7 24 27 A G S S+ 0 0 0 1,-0.2 410,-2.5 409,-0.1 2,-0.4 0.530 83.1 106.9 77.7 6.3 -10.0 21.2 2.5 25 28 A I S S- 0 0 21 408,-0.2 -5,-0.4 409,-0.1 -4,-0.3 -0.951 71.9-120.1-118.6 132.7 -8.6 18.2 4.5 26 29 A G - 0 0 0 -11,-3.0 -7,-0.3 -2,-0.4 2,-0.3 -0.352 39.0-175.2 -64.4 156.5 -10.5 14.9 5.0 27 30 A D > - 0 0 9 -9,-2.1 4,-1.5 1,-0.1 -9,-0.2 -0.852 39.7 -90.6-148.7 175.5 -11.0 14.0 8.7 28 31 A F H > S+ 0 0 0 45,-2.6 4,-3.0 -2,-0.3 3,-0.4 0.932 120.8 54.4 -62.6 -50.9 -12.4 11.4 11.1 29 32 A K H > S+ 0 0 40 44,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.900 107.4 52.9 -50.8 -38.4 -15.9 12.7 11.2 30 33 A G H 4 S+ 0 0 0 -12,-0.3 4,-0.4 1,-0.2 -1,-0.2 0.886 111.0 45.6 -68.8 -34.5 -16.0 12.5 7.4 31 34 A L H >< S+ 0 0 2 -4,-1.5 3,-1.5 -3,-0.4 -1,-0.2 0.907 110.7 52.8 -69.9 -44.7 -14.9 8.9 7.5 32 35 A T H >< S+ 0 0 25 -4,-3.0 3,-1.0 1,-0.3 4,-0.3 0.860 105.1 57.2 -61.0 -33.6 -17.4 8.0 10.2 33 36 A E T 3< S+ 0 0 122 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.651 108.2 47.0 -67.5 -17.1 -20.1 9.6 8.0 34 37 A K T <> S+ 0 0 47 -3,-1.5 4,-2.2 -4,-0.4 -1,-0.2 0.258 75.2 102.7-116.1 11.9 -19.4 7.2 5.2 35 38 A L H <> S+ 0 0 0 -3,-1.0 4,-4.3 1,-0.2 5,-0.2 0.858 81.4 57.2 -62.8 -35.9 -19.2 3.9 7.0 36 39 A D H > S+ 0 0 108 -4,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.888 106.0 49.3 -59.2 -46.2 -22.6 3.0 5.6 37 40 A Y H > S+ 0 0 27 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.951 114.5 45.2 -56.5 -51.9 -21.3 3.6 2.2 38 41 A L H X>S+ 0 0 0 -4,-2.2 5,-1.9 2,-0.2 4,-0.8 0.939 114.0 48.1 -59.8 -48.4 -18.3 1.3 3.0 39 42 A K H ><5S+ 0 0 92 -4,-4.3 3,-1.6 1,-0.2 -1,-0.2 0.942 109.3 54.4 -51.7 -50.1 -20.5 -1.3 4.6 40 43 A G H 3<5S+ 0 0 41 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.783 102.8 57.1 -59.9 -28.7 -23.0 -1.2 1.6 41 44 A L H 3<5S- 0 0 0 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.731 124.1-104.5 -71.6 -24.8 -20.0 -1.9 -0.7 42 45 A G T <<5 + 0 0 20 -3,-1.6 2,-0.4 -4,-0.8 -3,-0.2 0.528 62.7 160.7 110.8 13.2 -19.3 -5.2 1.3 43 46 A I < - 0 0 1 -5,-1.9 -1,-0.2 1,-0.1 -34,-0.1 -0.568 21.0-179.2 -82.9 122.9 -16.2 -4.0 3.2 44 47 A D + 0 0 45 -36,-1.3 48,-2.0 -2,-0.4 2,-0.3 0.647 69.6 14.5 -85.6 -24.6 -15.3 -6.0 6.3 45 48 A A E -ac 9 92A 0 -37,-1.0 -35,-2.0 46,-0.2 2,-0.4 -0.979 59.9-147.7-163.1 140.7 -12.3 -3.9 7.3 46 49 A I E -ac 10 93A 1 46,-2.5 48,-3.3 -2,-0.3 2,-0.6 -0.896 4.4-156.6-116.3 136.1 -10.6 -0.6 6.7 47 50 A W E -ac 11 94A 4 -37,-2.0 -35,-2.4 -2,-0.4 2,-0.4 -0.985 18.6-161.7-107.1 120.7 -6.8 0.2 6.8 48 51 A I E -ac 12 95A 0 46,-2.3 48,-0.6 -2,-0.6 -35,-0.2 -0.867 16.5-122.0-101.4 137.2 -6.3 4.0 7.5 49 52 A N - 0 0 2 -37,-1.6 47,-0.1 -2,-0.4 11,-0.1 -0.173 66.2 -41.4 -66.3 169.4 -3.0 5.8 6.8 50 53 A P + 0 0 0 0, 0.0 -1,-0.2 0, 0.0 11,-0.1 -0.051 54.7 176.0 -47.2 128.6 -1.3 7.5 9.7 51 54 A H + 0 0 0 45,-0.2 19,-2.7 -3,-0.2 2,-0.2 0.019 41.5 111.5-118.9 20.3 -3.7 9.4 11.9 52 55 A Y E S-H 69 0B 3 17,-0.3 17,-0.3 8,-0.3 14,-0.1 -0.606 82.3 -71.5 -98.7 160.9 -1.3 10.6 14.7 53 56 A A E +H 65 0B 21 15,-1.8 11,-2.8 12,-0.6 12,-1.0 -0.183 68.6 160.3 -49.0 130.9 -0.0 14.1 15.6 54 57 A S - 0 0 16 9,-0.3 9,-0.2 10,-0.2 17,-0.1 -0.988 54.0-135.2-157.8 139.8 2.3 15.2 12.8 55 58 A P - 0 0 61 0, 0.0 4,-0.1 0, 0.0 8,-0.1 0.601 51.2-131.0 -71.2 -8.9 3.8 18.3 11.2 56 59 A N > + 0 0 24 6,-0.6 3,-0.7 2,-0.1 7,-0.1 0.818 62.3 142.1 63.6 35.2 2.9 16.7 7.9 57 60 A T T 3 S+ 0 0 38 1,-0.2 325,-0.4 5,-0.2 -1,-0.1 0.768 96.3 21.4 -69.0 -20.8 6.2 17.0 6.0 58 61 A D T > S- 0 0 8 4,-0.1 3,-2.4 106,-0.1 -1,-0.2 -0.199 121.0 -98.5-141.1 45.8 5.0 13.6 4.8 59 62 A N T < S- 0 0 19 -3,-0.7 -44,-0.1 1,-0.3 -2,-0.0 0.843 95.0 -29.5 39.7 54.8 1.3 13.7 5.4 60 63 A G T 3 S+ 0 0 0 2,-0.2 -1,-0.3 -11,-0.1 -8,-0.3 0.154 114.9 101.0 98.6 -16.8 1.4 11.7 8.7 61 64 A Y S < S+ 0 0 17 -3,-2.4 2,-0.6 1,-0.2 -2,-0.1 0.460 74.6 67.3 -77.8 3.7 4.4 9.6 8.1 62 65 A D S S- 0 0 0 -10,-0.1 -6,-0.6 -12,-0.1 2,-0.5 -0.894 80.5-165.6-119.6 97.6 6.4 12.0 10.3 63 66 A I - 0 0 0 -2,-0.6 40,-2.6 38,-0.2 -9,-0.3 -0.739 22.8-179.4 -99.4 126.8 4.9 11.4 13.7 64 67 A S S S+ 0 0 28 -11,-2.8 43,-0.7 -2,-0.5 2,-0.2 0.559 80.3 17.0-101.2 -10.2 5.5 13.8 16.5 65 68 A D E > -H 53 0B 63 -12,-1.0 3,-1.1 3,-0.2 -12,-0.6 -0.795 59.3-161.5-159.5 112.8 3.4 12.0 19.2 66 69 A Y E 3 S+ 0 0 6 -2,-0.2 -1,-0.0 1,-0.2 32,-0.0 0.614 91.8 54.5 -72.5 -9.8 2.4 8.4 18.8 67 70 A R E 3 S+ 0 0 95 2,-0.1 2,-0.3 -15,-0.0 -1,-0.2 0.290 97.0 70.6-111.8 10.9 -0.3 8.8 21.4 68 71 A E E < S- 0 0 100 -3,-1.1 -15,-1.8 -15,-0.1 -3,-0.2 -0.933 79.3-116.4-123.4 155.9 -2.2 11.7 20.1 69 72 A V E -H 52 0B 11 -2,-0.3 -17,-0.3 -17,-0.3 2,-0.2 -0.522 43.4 -89.5 -84.7 149.3 -4.5 12.0 17.0 70 73 A M >> - 0 0 0 -19,-2.7 4,-1.3 -2,-0.2 3,-1.2 -0.437 31.9-134.8 -60.0 129.2 -3.6 14.2 14.1 71 74 A K T 34 S+ 0 0 83 1,-0.3 3,-0.3 -2,-0.2 -1,-0.2 0.882 105.1 56.1 -53.9 -41.1 -5.1 17.7 14.7 72 75 A E T 34 S+ 0 0 69 1,-0.2 -1,-0.3 -45,-0.1 -47,-0.1 0.833 107.3 48.7 -59.6 -33.7 -6.4 17.8 11.1 73 76 A Y T <4 S- 0 0 5 -3,-1.2 -45,-2.6 1,-0.2 -44,-0.6 0.786 117.1-104.3 -82.1 -21.9 -8.3 14.6 11.6 74 77 A G < - 0 0 21 -4,-1.3 -1,-0.2 -3,-0.3 2,-0.2 -0.999 47.5 -48.7 140.2-142.4 -10.1 15.5 14.9 75 78 A T > - 0 0 74 -2,-0.3 4,-1.9 -3,-0.1 3,-0.3 -0.685 54.1 -94.2-125.9 178.1 -9.6 14.5 18.6 76 79 A M H > S+ 0 0 42 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.918 126.8 57.1 -63.7 -41.8 -9.2 11.3 20.5 77 80 A E H > S+ 0 0 125 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.843 104.5 51.5 -50.7 -40.0 -12.9 11.3 21.1 78 81 A D H > S+ 0 0 30 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.889 109.9 49.5 -67.5 -38.2 -13.4 11.5 17.3 79 82 A F H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.913 110.8 50.3 -64.1 -42.2 -11.1 8.4 16.9 80 83 A D H X S+ 0 0 67 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.897 109.2 50.6 -62.8 -38.5 -13.1 6.5 19.6 81 84 A R H X S+ 0 0 94 -4,-1.9 4,-3.0 2,-0.2 5,-0.2 0.884 107.8 53.4 -68.5 -37.0 -16.3 7.3 18.0 82 85 A L H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.956 110.9 47.4 -58.1 -51.6 -14.9 6.0 14.6 83 86 A M H X S+ 0 0 25 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.937 113.3 47.8 -52.3 -53.7 -14.0 2.8 16.5 84 87 A A H X S+ 0 0 44 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.904 113.5 46.9 -54.2 -48.3 -17.5 2.5 18.1 85 88 A E H X S+ 0 0 43 -4,-3.0 4,-0.6 1,-0.2 -1,-0.2 0.828 111.2 51.7 -70.3 -33.4 -19.3 3.2 14.7 86 89 A L H ><>S+ 0 0 3 -4,-2.7 5,-2.8 -5,-0.2 3,-1.2 0.939 109.4 50.2 -60.2 -49.6 -17.1 0.7 13.0 87 90 A K H ><5S+ 0 0 171 -4,-2.5 3,-2.5 1,-0.3 -2,-0.2 0.915 101.6 62.3 -59.5 -39.3 -17.9 -1.9 15.7 88 91 A K H 3<5S+ 0 0 157 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.778 108.3 44.1 -55.3 -25.3 -21.7 -1.2 15.3 89 92 A R T <<5S- 0 0 55 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.301 118.7-111.5-104.4 7.4 -21.4 -2.5 11.7 90 93 A G T < 5S+ 0 0 56 -3,-2.5 2,-0.3 1,-0.2 -3,-0.2 0.813 71.9 145.7 61.7 31.4 -19.3 -5.4 12.6 91 94 A M < - 0 0 9 -5,-2.8 2,-0.3 -6,-0.1 -1,-0.2 -0.708 39.6-139.5 -97.2 152.1 -16.4 -3.7 10.8 92 95 A R E -c 45 0A 93 -48,-2.0 -46,-2.5 -2,-0.3 2,-0.4 -0.867 6.1-141.4-113.5 149.1 -12.7 -3.9 11.8 93 96 A L E -c 46 0A 7 -2,-0.3 99,-1.5 97,-0.3 100,-1.2 -0.899 8.8-168.7-111.2 132.0 -9.9 -1.2 11.8 94 97 A M E -cd 47 193A 0 -48,-3.3 -46,-2.3 -2,-0.4 2,-0.3 -0.972 14.9-156.5-110.5 129.1 -6.2 -1.6 10.8 95 98 A V E -cd 48 194A 0 98,-2.2 100,-2.7 -2,-0.5 2,-0.3 -0.704 18.4-115.1-101.7 159.5 -3.9 1.3 11.7 96 99 A D E - d 0 195A 0 -48,-0.6 2,-0.5 -2,-0.3 -45,-0.2 -0.717 24.7-154.4 -91.9 141.8 -0.6 2.3 10.1 97 100 A V E - d 0 196A 3 98,-2.8 100,-2.3 -2,-0.3 2,-0.7 -0.985 8.8-171.9-126.7 116.4 2.4 2.0 12.4 98 101 A V + 0 0 1 -2,-0.5 -35,-0.2 98,-0.2 100,-0.1 -0.812 30.6 137.6-115.0 85.9 5.3 4.2 11.4 99 102 A I + 0 0 0 -2,-0.7 3,-0.1 98,-0.4 -1,-0.1 0.056 49.0 83.2-125.9 24.4 8.3 3.1 13.7 100 103 A N S S- 0 0 0 1,-0.4 68,-2.3 97,-0.1 2,-0.3 0.737 113.1 -4.5 -84.9 -28.3 11.2 3.1 11.4 101 104 A H B -I 167 0C 8 66,-0.3 -1,-0.4 -40,-0.1 66,-0.2 -0.950 65.0-149.6-155.1 160.4 11.5 6.8 12.0 102 105 A S - 0 0 0 64,-1.8 -38,-0.2 -2,-0.3 2,-0.1 -0.727 39.9 -78.9-122.6 179.3 9.6 9.6 13.8 103 106 A S > - 0 0 0 -40,-2.6 3,-1.6 -2,-0.2 6,-0.3 -0.478 35.5-120.9 -72.0 155.7 9.2 13.3 13.1 104 107 A D T 3 S+ 0 0 15 60,-1.7 61,-0.1 1,-0.3 -1,-0.1 0.551 114.1 62.9 -75.6 -1.9 12.1 15.6 14.1 105 108 A Q T 3 S+ 0 0 86 59,-0.3 -1,-0.3 4,-0.1 2,-0.1 0.344 74.1 118.5-100.0 0.4 9.5 17.4 16.3 106 109 A H S X> S- 0 0 13 -3,-1.6 4,-2.1 -43,-0.2 3,-1.1 -0.474 75.6-122.5 -61.6 140.6 8.9 14.2 18.5 107 110 A E H 3> S+ 0 0 118 -43,-0.7 4,-2.4 1,-0.3 5,-0.2 0.868 110.0 61.6 -58.0 -35.3 9.9 15.0 22.1 108 111 A W H 3> S+ 0 0 32 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.842 107.5 42.0 -57.6 -40.4 12.4 12.1 22.0 109 112 A F H <> S+ 0 0 0 -3,-1.1 4,-2.9 -6,-0.3 -1,-0.2 0.867 109.7 56.9 -76.9 -38.6 14.4 13.7 19.2 110 113 A K H < S+ 0 0 95 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.922 116.1 38.9 -55.9 -42.9 14.2 17.2 20.7 111 114 A S H >< S+ 0 0 35 -4,-2.4 3,-1.7 -5,-0.2 4,-0.4 0.924 114.8 53.5 -68.0 -48.1 15.8 15.7 23.8 112 115 A S H 3< S+ 0 0 0 -4,-2.3 3,-0.5 1,-0.3 6,-0.2 0.838 106.7 51.4 -60.3 -35.9 18.1 13.4 21.9 113 116 A R T 3< S+ 0 0 65 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.459 90.3 83.5 -81.4 -0.2 19.6 16.3 19.8 114 117 A A S < S- 0 0 41 -3,-1.7 2,-0.3 1,-0.2 -1,-0.2 0.844 105.6 -19.2 -77.7 -36.7 20.4 18.4 22.9 115 118 A S > - 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0 0 71 -2,-0.3 4,-2.2 -3,-0.1 5,-0.1 -0.467 34.7-109.9 -84.7 164.0 38.3 48.6 9.4 954 402 B A H > S+ 0 0 43 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.929 120.5 54.3 -58.2 -41.5 41.4 46.3 9.4 955 403 B E H > S+ 0 0 148 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.891 106.1 48.9 -62.3 -45.9 43.5 49.4 8.7 956 404 B E H > S+ 0 0 93 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.894 112.8 50.3 -56.0 -43.9 42.1 51.4 11.6 957 405 B L H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 3,-0.3 0.971 114.2 42.1 -62.5 -50.8 42.8 48.5 13.9 958 406 B L H X S+ 0 0 34 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.856 107.8 59.6 -68.5 -36.9 46.4 48.0 12.7 959 407 B T H < S+ 0 0 87 -4,-3.0 4,-0.5 -5,-0.2 -1,-0.2 0.908 116.2 36.1 -53.0 -42.0 47.2 51.7 12.7 960 408 B N H >X S+ 0 0 33 -4,-1.6 4,-1.0 -3,-0.3 3,-1.0 0.894 113.8 52.9 -83.5 -42.1 46.4 51.8 16.4 961 409 B V H 3X S+ 0 0 4 -4,-2.8 4,-2.8 1,-0.3 -1,-0.2 0.726 95.4 70.5 -67.9 -20.3 47.7 48.4 17.5 962 410 B A H 3< S+ 0 0 25 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.895 107.1 41.4 -56.2 -35.4 51.0 49.3 15.9 963 411 B L H <4 S+ 0 0 98 -3,-1.0 -2,-0.2 -4,-0.5 -1,-0.2 0.784 129.3 23.9 -82.6 -28.7 51.2 51.7 18.8 964 412 B T H < S+ 0 0 8 -4,-1.0 -2,-0.2 -120,-0.2 -3,-0.2 0.525 82.8 131.4-117.4 -9.8 49.8 49.5 21.7 965 413 B S >< - 0 0 6 -4,-2.8 3,-1.4 -5,-0.2 4,-0.2 -0.176 55.1-140.2 -58.2 137.0 50.5 45.9 20.6 966 414 B R G > S+ 0 0 12 1,-0.3 3,-1.7 2,-0.2 4,-0.4 0.677 99.2 75.9 -70.0 -20.9 52.1 43.7 23.1 967 415 B N G >> S+ 0 0 2 1,-0.3 3,-1.6 2,-0.2 4,-0.6 0.827 80.0 73.4 -59.1 -26.5 54.1 42.2 20.3 968 416 B N G <4 S+ 0 0 0 -3,-1.4 3,-0.3 1,-0.3 -1,-0.3 0.821 101.1 41.7 -50.6 -31.2 56.1 45.5 20.5 969 417 B A G <4 S+ 0 0 1 -3,-1.7 -1,-0.3 -4,-0.2 -2,-0.2 0.542 107.8 62.4 -95.9 -7.8 57.6 44.1 23.7 970 418 B R T <4 + 0 0 0 -3,-1.6 -1,-0.2 -4,-0.4 -2,-0.2 0.353 65.6 119.2-107.7 -0.5 58.2 40.5 22.5 971 419 B T S < S- 0 0 2 -4,-0.6 21,-0.2 -3,-0.3 20,-0.1 -0.386 82.3 -77.0 -68.3 147.2 60.6 41.0 19.6 972 420 B P - 0 0 0 0, 0.0 21,-0.3 0, 0.0 -400,-0.2 -0.135 51.6-100.9 -53.7 136.9 63.9 39.1 20.3 973 421 B F - 0 0 0 -402,-2.5 2,-0.9 -3,-0.1 10,-0.1 -0.292 36.8-123.3 -49.8 137.2 66.4 40.7 22.8 974 422 B Q + 0 0 0 1,-0.2 27,-2.4 -3,-0.1 8,-0.1 -0.766 40.7 164.8 -97.0 97.3 69.2 42.4 20.8 975 423 B W - 0 0 15 6,-1.9 27,-3.0 -2,-0.9 7,-0.2 0.915 62.1 -30.2 -82.7 -47.0 72.5 40.9 22.0 976 424 B D S S- 0 0 53 5,-2.2 25,-0.1 25,-0.2 7,-0.1 -0.680 71.1 -82.6-147.9-159.4 74.9 42.0 19.3 977 425 B D S S+ 0 0 108 -2,-0.2 3,-0.1 23,-0.1 4,-0.1 0.154 85.5 109.5-107.8 21.3 75.0 42.8 15.6 978 426 B S S > S- 0 0 54 1,-0.2 3,-1.2 2,-0.1 4,-0.2 -0.160 88.6 -42.8 -76.7-176.7 75.3 39.3 14.2 979 427 B A G > S+ 0 0 72 1,-0.3 3,-1.9 2,-0.2 5,-0.4 -0.219 134.1 0.4 -49.9 131.7 72.4 37.5 12.4 980 428 B N G >> S- 0 0 53 1,-0.3 3,-2.9 2,-0.2 4,-0.6 0.909 127.2 -69.9 48.0 50.0 69.2 38.2 14.2 981 429 B A G <4 S- 0 0 0 -3,-1.2 -5,-2.2 1,-0.3 -6,-1.9 0.600 84.8 -69.6 42.8 24.0 70.9 40.3 16.8 982 430 B G G <4 S+ 0 0 16 -3,-1.9 -1,-0.3 2,-0.3 -2,-0.2 0.536 110.0 116.4 79.0 8.9 72.6 37.2 18.2 983 431 B F T <4 S- 0 0 0 -3,-2.9 -409,-2.0 1,-0.2 2,-0.3 0.866 81.7 -1.0 -74.2 -37.9 69.4 35.9 19.7 984 432 B T < - 0 0 9 -4,-0.6 -2,-0.3 -5,-0.4 -1,-0.2 -0.983 46.3-141.4-149.8 160.2 69.2 32.7 17.5 985 433 B T S S+ 0 0 138 -2,-0.3 2,-0.1 -3,-0.1 -5,-0.1 0.458 95.1 49.4 -97.3 -5.3 71.1 30.8 14.8 986 434 B G S S- 0 0 26 -6,-0.1 -2,-0.2 -7,-0.1 -408,-0.2 -0.023 112.5 -58.3-107.3-149.3 67.7 29.9 13.3 987 435 B K - 0 0 182 -410,-0.5 -2,-0.1 -2,-0.1 4,-0.1 -0.919 57.3-126.9-102.9 115.2 64.6 31.8 12.4 988 436 B P - 0 0 12 0, 0.0 -408,-0.2 0, 0.0 -409,-0.1 -0.353 14.9-121.5 -63.6 144.2 63.2 33.6 15.4 989 437 B W S S+ 0 0 63 -410,-2.6 2,-0.4 -419,-0.2 -409,-0.1 0.780 104.1 27.6 -56.5 -30.3 59.5 33.0 16.2 990 438 B L S S- 0 0 20 -411,-0.3 -1,-0.1 -20,-0.1 -57,-0.1 -0.998 104.2 -95.9-131.7 136.7 59.0 36.8 15.9 991 439 B K - 0 0 120 -2,-0.4 2,-0.2 -20,-0.1 -2,-0.1 -0.139 36.4-118.6 -54.4 139.8 61.1 39.1 13.7 992 440 B V - 0 0 12 -21,-0.2 -1,-0.1 1,-0.1 -19,-0.1 -0.570 35.7-101.3 -73.2 142.2 64.0 41.0 15.3 993 441 B N > - 0 0 4 -21,-0.3 3,-1.7 -2,-0.2 -1,-0.1 -0.446 24.8-134.5 -63.2 130.1 63.8 44.7 15.1 994 442 B P G > S+ 0 0 75 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.755 98.4 76.6 -63.4 -20.8 66.1 46.0 12.3 995 443 B N G >> + 0 0 37 1,-0.3 4,-2.2 2,-0.1 3,-1.4 0.386 64.7 100.7 -67.7 9.9 67.5 48.8 14.5 996 444 B Y G <4 + 0 0 52 -3,-1.7 -1,-0.3 1,-0.3 -3,-0.0 0.743 67.2 69.2 -66.2 -20.5 69.5 46.0 16.1 997 445 B T G <4 S+ 0 0 75 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.1 0.792 116.5 23.6 -66.5 -26.1 72.4 47.2 14.0 998 446 B E T <4 S+ 0 0 115 -3,-1.4 2,-0.6 1,-0.2 -2,-0.2 0.625 124.1 54.8-104.1 -23.2 72.5 50.3 16.3 999 447 B I S < S+ 0 0 2 -4,-2.2 2,-0.3 -23,-0.1 -1,-0.2 -0.909 73.1 120.7-123.0 101.7 70.8 49.0 19.4 1000 448 B N > - 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