==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 11-MAY-07 2PWE . COMPND 2 MOLECULE: SUCROSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS MESOACIDOPHILA; . AUTHOR S.RAVAUD,X.ROBERT,R.HASER,N.AGHAJARI . 1112 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41279.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 734 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 65 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 112 10.1 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 . 55 4.9 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 . 249 22.4 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 7 7 3 2 1 0 2 4 2 2 2 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 5 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 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 2 A P 0 0 192 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 172.2 -9.4 -27.2 11.1 2 3 A G - 0 0 73 1,-0.0 3,-0.1 0, 0.0 0, 0.0 -0.669 360.0-109.9-104.2 160.2 -10.7 -23.8 9.8 3 4 A A - 0 0 51 -2,-0.2 5,-0.1 1,-0.1 474,-0.0 -0.706 43.4 -97.9 -88.9 141.2 -8.7 -21.1 8.1 4 5 A P >> - 0 0 53 0, 0.0 3,-1.5 0, 0.0 4,-0.7 -0.158 34.4-112.3 -52.0 153.8 -8.0 -17.9 10.1 5 6 A W H >> S+ 0 0 61 1,-0.3 3,-1.1 2,-0.2 4,-0.7 0.880 114.7 61.8 -56.9 -38.9 -10.5 -15.1 9.3 6 7 A W H 34 S+ 0 0 37 1,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.724 95.6 59.8 -64.9 -19.1 -7.7 -13.0 7.7 7 8 A K H <4 S+ 0 0 46 -3,-1.5 351,-0.3 1,-0.2 -1,-0.2 0.742 115.6 33.2 -81.0 -21.0 -7.1 -15.7 5.0 8 9 A S H << S+ 0 0 48 -3,-1.1 -2,-0.2 -4,-0.7 -1,-0.2 0.327 98.0 105.7-116.0 10.8 -10.6 -15.4 3.7 9 10 A A < - 0 0 3 -4,-0.7 2,-0.5 -3,-0.1 36,-0.1 -0.443 62.5-137.7 -84.8 160.1 -11.3 -11.8 4.3 10 11 A V - 0 0 0 34,-0.2 36,-2.6 349,-0.1 37,-1.4 -0.995 25.7-159.2-118.2 121.1 -11.3 -9.0 1.7 11 12 A F E -ab 47 361A 1 349,-2.8 351,-2.4 -2,-0.5 2,-0.4 -0.680 7.9-154.4-100.8 158.8 -9.6 -5.8 3.0 12 13 A Y E -ab 48 362A 0 35,-1.8 37,-2.1 -2,-0.2 2,-0.6 -0.999 13.1-138.2-133.6 129.2 -9.9 -2.3 1.8 13 14 A Q E -ab 49 363A 3 349,-3.0 351,-2.1 -2,-0.4 2,-0.5 -0.789 16.2-165.2 -94.9 125.3 -7.1 0.3 2.2 14 15 A V E -a 50 0A 0 35,-2.9 37,-1.9 -2,-0.6 3,-0.1 -0.929 12.6-161.0-110.0 125.7 -8.2 3.8 3.2 15 16 A Y > - 0 0 2 -2,-0.5 3,-2.3 35,-0.2 4,-0.3 -0.839 16.4-160.2 -99.6 91.1 -5.8 6.6 2.9 16 17 A P G >> S+ 0 0 2 0, 0.0 3,-1.4 0, 0.0 4,-0.7 0.797 82.4 64.8 -44.9 -39.1 -7.6 8.9 5.4 17 18 A R G 34 S+ 0 0 26 1,-0.3 11,-2.9 44,-0.1 419,-0.2 0.815 116.8 28.5 -56.9 -29.7 -6.1 12.1 4.1 18 19 A S G <4 S+ 0 0 0 -3,-2.3 402,-2.5 9,-0.2 -1,-0.3 0.203 104.7 78.0-120.0 20.0 -7.8 11.6 0.8 19 20 A F T <4 S- 0 0 1 -3,-1.4 2,-0.3 -4,-0.3 -2,-0.1 0.942 104.5 -17.4 -95.3 -63.7 -11.0 9.6 1.7 20 21 A K < - 0 0 33 -4,-0.7 9,-2.4 9,-0.2 12,-0.4 -0.890 51.2-157.7-153.3 120.5 -13.6 12.0 3.2 21 22 A D + 0 0 5 409,-2.4 7,-0.2 -2,-0.3 -4,-0.0 -0.744 12.3 174.9 -93.2 139.6 -13.3 15.5 4.6 22 23 A T S S+ 0 0 57 5,-0.4 -1,-0.1 -2,-0.4 6,-0.1 0.294 75.3 46.0-126.4 7.5 -16.0 16.6 7.0 23 24 A N S S- 0 0 106 4,-0.3 408,-0.1 0, 0.0 5,-0.0 0.098 102.8-116.8-135.4 21.2 -14.9 20.0 8.2 24 25 A G S S+ 0 0 23 1,-0.1 410,-0.4 406,-0.1 407,-0.1 0.629 77.4 123.2 54.2 24.4 -13.8 21.6 4.9 25 26 A D S S- 0 0 73 2,-0.3 -1,-0.1 408,-0.2 3,-0.1 0.455 85.0-111.4 -90.6 1.8 -10.1 22.1 5.7 26 27 A G S S+ 0 0 0 1,-0.2 410,-2.3 409,-0.1 2,-0.4 0.491 86.5 103.5 87.4 -0.3 -9.5 20.0 2.6 27 28 A I S S- 0 0 23 408,-0.2 -5,-0.4 409,-0.1 -2,-0.3 -0.959 73.0-117.4-119.4 134.6 -8.0 17.0 4.4 28 29 A G - 0 0 0 -11,-2.9 -7,-0.3 -2,-0.4 2,-0.2 -0.296 38.9-174.3 -64.2 157.2 -9.9 13.7 5.0 29 30 A D > - 0 0 9 -9,-2.4 4,-1.9 1,-0.1 -9,-0.2 -0.854 39.5 -92.1-147.1 175.9 -10.6 12.8 8.6 30 31 A F H > S+ 0 0 1 45,-2.9 4,-3.0 -2,-0.2 5,-0.3 0.874 120.2 55.2 -60.8 -43.4 -12.0 10.1 11.0 31 32 A K H > S+ 0 0 41 44,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.916 108.1 51.7 -59.4 -38.6 -15.5 11.5 11.1 32 33 A G H > S+ 0 0 0 -12,-0.4 4,-0.7 1,-0.2 -1,-0.2 0.926 111.7 44.6 -65.5 -43.1 -15.5 11.3 7.3 33 34 A L H >< S+ 0 0 2 -4,-1.9 3,-1.3 -13,-0.3 4,-0.2 0.934 111.8 51.8 -66.1 -44.9 -14.4 7.7 7.3 34 35 A T H >< S+ 0 0 24 -4,-3.0 3,-1.7 1,-0.3 4,-0.3 0.918 105.6 57.1 -56.4 -40.6 -16.8 6.7 10.0 35 36 A E H 3< S+ 0 0 110 -4,-2.2 -1,-0.3 1,-0.3 3,-0.3 0.714 107.4 49.4 -62.2 -23.3 -19.6 8.3 8.0 36 37 A K T S+ 0 0 0 -3,-1.7 4,-3.8 1,-0.2 5,-0.2 0.874 78.3 57.0 -63.2 -33.7 -18.7 2.6 6.8 38 39 A D H > S+ 0 0 106 -4,-0.3 4,-2.7 -3,-0.3 -1,-0.2 0.859 105.6 52.2 -63.7 -33.7 -22.1 1.7 5.4 39 40 A Y H > S+ 0 0 22 -3,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.959 114.0 41.8 -65.5 -48.8 -20.6 2.2 1.9 40 41 A L H X>S+ 0 0 0 -4,-2.0 5,-2.0 1,-0.2 4,-1.3 0.942 114.7 51.5 -64.5 -44.6 -17.7 -0.1 2.7 41 42 A K H <5S+ 0 0 96 -4,-3.8 3,-0.5 1,-0.2 -1,-0.2 0.922 109.5 50.4 -57.5 -44.1 -20.0 -2.5 4.4 42 43 A G H <5S+ 0 0 37 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.799 103.6 58.5 -64.9 -28.8 -22.3 -2.6 1.4 43 44 A L H <5S- 0 0 1 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.811 122.3-108.6 -68.9 -30.4 -19.3 -3.2 -0.9 44 45 A G T <5 + 0 0 18 -4,-1.3 -34,-0.2 -3,-0.5 -3,-0.2 0.582 58.9 164.4 111.5 15.9 -18.7 -6.3 1.1 45 46 A I < - 0 0 1 -5,-2.0 -1,-0.2 1,-0.1 -34,-0.2 -0.415 20.7-173.9 -70.4 134.3 -15.5 -5.3 2.9 46 47 A D + 0 0 44 -36,-2.6 48,-1.8 1,-0.3 2,-0.3 0.773 68.9 9.9 -95.4 -33.9 -14.5 -7.3 5.9 47 48 A A E -ac 11 94A 0 -37,-1.4 -35,-1.8 46,-0.2 2,-0.4 -0.996 61.3-144.4-150.0 153.3 -11.6 -5.2 7.2 48 49 A I E -ac 12 95A 1 46,-2.3 48,-3.1 -2,-0.3 2,-0.6 -0.959 2.7-157.1-122.0 135.5 -9.9 -1.9 6.6 49 50 A W E -ac 13 96A 3 -37,-2.1 -35,-2.9 -2,-0.4 2,-0.4 -0.955 18.2-162.4-108.0 121.9 -6.3 -0.9 6.7 50 51 A I E -a 14 0A 0 46,-2.3 48,-0.5 -2,-0.6 -35,-0.2 -0.886 18.2-119.6-105.6 140.7 -5.9 2.8 7.4 51 52 A N - 0 0 2 -37,-1.9 47,-0.2 -2,-0.4 11,-0.1 -0.186 66.4 -42.4 -67.0 168.6 -2.6 4.6 6.7 52 53 A P + 0 0 0 0, 0.0 -1,-0.2 0, 0.0 11,-0.1 0.013 54.6 176.1 -37.6 129.5 -0.9 6.4 9.7 53 54 A H + 0 0 0 45,-0.2 19,-2.4 -3,-0.2 2,-0.2 0.055 41.4 109.9-125.7 21.7 -3.3 8.2 12.0 54 55 A Y E S-H 71 0B 3 17,-0.3 17,-0.3 8,-0.3 14,-0.1 -0.507 84.5 -70.3 -98.5 166.9 -0.9 9.3 14.8 55 56 A A E +H 67 0B 20 15,-1.9 11,-2.4 12,-0.9 12,-1.0 -0.324 69.1 162.4 -55.3 131.3 0.3 12.8 15.6 56 57 A S - 0 0 15 9,-0.3 9,-0.2 10,-0.2 17,-0.1 -0.995 53.4-135.6-156.1 144.1 2.6 13.9 12.8 57 58 A P - 0 0 63 0, 0.0 8,-0.1 0, 0.0 4,-0.1 0.622 50.4-131.8 -74.6 -9.5 4.2 17.0 11.3 58 59 A N > + 0 0 23 6,-0.6 3,-0.9 2,-0.1 7,-0.1 0.759 61.5 142.6 64.8 32.6 3.1 15.5 8.0 59 60 A T T 3 S+ 0 0 34 1,-0.3 325,-0.2 5,-0.2 -1,-0.1 0.805 95.3 19.6 -68.0 -21.9 6.4 15.9 6.1 60 61 A D T > S- 0 0 9 4,-0.1 3,-1.8 106,-0.1 -1,-0.3 -0.203 121.1 -99.5-139.6 40.6 5.4 12.5 4.7 61 62 A N T < S- 0 0 7 -3,-0.9 -44,-0.1 1,-0.3 -2,-0.0 0.839 94.5 -24.3 43.5 59.6 1.7 12.4 5.5 62 63 A G T 3 S+ 0 0 0 2,-0.2 -8,-0.3 -11,-0.1 -1,-0.3 0.039 117.5 94.8 101.8 -25.8 1.5 10.3 8.6 63 64 A Y S < S+ 0 0 7 -3,-1.8 2,-0.5 1,-0.2 -2,-0.1 0.376 75.1 65.8 -81.7 4.2 4.8 8.4 8.2 64 65 A D S S- 0 0 0 -12,-0.0 -6,-0.6 41,-0.0 2,-0.5 -0.881 80.0-166.7-124.0 91.7 6.8 10.9 10.3 65 66 A I - 0 0 1 -2,-0.5 40,-2.4 38,-0.2 -9,-0.3 -0.695 22.3-176.3 -88.7 126.5 5.2 10.3 13.7 66 67 A S S S+ 0 0 31 -11,-2.4 43,-0.6 -2,-0.5 2,-0.2 0.606 80.9 14.3 -97.4 -8.2 5.8 12.7 16.5 67 68 A D E > -H 55 0B 63 -12,-1.0 3,-1.5 3,-0.2 -12,-0.9 -0.693 60.7-156.8-164.5 105.7 3.9 10.8 19.2 68 69 A Y E 3 S+ 0 0 6 1,-0.3 -1,-0.0 -2,-0.2 -2,-0.0 0.525 92.2 54.0 -63.6 -6.6 2.8 7.2 18.8 69 70 A R E 3 S+ 0 0 95 2,-0.1 2,-0.3 118,-0.0 -1,-0.3 0.254 95.5 69.5-115.9 12.9 -0.0 7.6 21.4 70 71 A E E < S- 0 0 106 -3,-1.5 -15,-1.9 -15,-0.1 2,-0.2 -0.944 80.1-117.9-125.3 149.6 -1.9 10.6 20.1 71 72 A V E -H 54 0B 14 -2,-0.3 -17,-0.3 -17,-0.3 7,-0.1 -0.558 43.7 -88.1 -84.3 154.4 -4.1 10.7 17.0 72 73 A M >> - 0 0 0 -19,-2.4 4,-1.3 -2,-0.2 3,-1.1 -0.402 32.3-132.2 -62.2 132.6 -3.2 13.1 14.1 73 74 A K T 34 S+ 0 0 83 1,-0.3 3,-0.5 2,-0.2 -1,-0.1 0.900 105.6 56.4 -52.3 -46.4 -4.8 16.5 14.7 74 75 A E T 34 S+ 0 0 67 1,-0.2 -1,-0.3 -45,-0.1 -49,-0.1 0.777 107.8 47.6 -59.2 -29.6 -6.0 16.6 11.1 75 76 A Y T <4 S- 0 0 4 -3,-1.1 -45,-2.9 1,-0.2 -44,-0.5 0.745 116.4-106.4 -87.8 -21.3 -7.9 13.3 11.5 76 77 A G < - 0 0 21 -4,-1.3 -1,-0.2 -3,-0.5 2,-0.2 -0.998 46.5 -41.7 142.0-143.3 -9.6 14.1 14.8 77 78 A T > - 0 0 69 -2,-0.3 4,-2.5 -3,-0.1 3,-0.4 -0.740 52.2-101.9-120.9 170.9 -9.4 13.1 18.4 78 79 A M H > S+ 0 0 43 1,-0.3 4,-3.2 -2,-0.2 5,-0.2 0.879 126.3 59.5 -59.8 -33.5 -8.8 9.8 20.3 79 80 A E H > S+ 0 0 123 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.881 104.9 46.9 -62.4 -39.9 -12.5 10.0 20.9 80 81 A D H > S+ 0 0 39 -3,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.918 111.3 51.7 -68.6 -42.7 -13.1 10.0 17.1 81 82 A F H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.950 111.2 46.8 -57.4 -49.2 -10.7 7.1 16.7 82 83 A D H X S+ 0 0 67 -4,-3.2 4,-2.7 1,-0.2 -1,-0.2 0.878 109.8 54.2 -59.6 -39.5 -12.6 5.1 19.4 83 84 A R H X S+ 0 0 108 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.905 106.5 51.5 -61.9 -41.1 -15.8 6.0 17.7 84 85 A L H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.941 110.2 50.0 -59.8 -46.6 -14.5 4.6 14.4 85 86 A M H X S+ 0 0 34 -4,-2.2 4,-2.4 1,-0.2 3,-0.3 0.943 111.7 47.6 -54.5 -51.8 -13.5 1.4 16.2 86 87 A A H X S+ 0 0 47 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.875 111.7 49.3 -59.0 -43.4 -17.0 1.1 17.8 87 88 A E H X S+ 0 0 45 -4,-2.5 4,-0.8 2,-0.2 -1,-0.2 0.768 109.4 52.1 -72.0 -26.0 -18.8 1.7 14.5 88 89 A L H ><>S+ 0 0 3 -4,-1.9 5,-3.1 -3,-0.3 3,-0.5 0.910 108.9 51.4 -73.3 -41.8 -16.7 -0.9 12.7 89 90 A K H ><5S+ 0 0 176 -4,-2.4 3,-2.1 1,-0.2 -2,-0.2 0.904 102.3 58.8 -62.1 -39.6 -17.5 -3.4 15.4 90 91 A K H 3<5S+ 0 0 150 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.851 110.1 44.9 -59.0 -30.0 -21.3 -2.8 15.1 91 92 A R T <<5S- 0 0 52 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.379 118.0-113.5 -95.9 7.8 -20.9 -3.8 11.5 92 93 A G T < 5S+ 0 0 54 -3,-2.1 2,-0.2 1,-0.2 -3,-0.2 0.776 71.5 140.1 68.4 24.3 -18.8 -6.8 12.3 93 94 A M < - 0 0 8 -5,-3.1 2,-0.3 -6,-0.1 -1,-0.2 -0.685 43.4-137.4 -99.4 158.1 -15.8 -5.2 10.5 94 95 A R E -c 47 0A 85 -48,-1.8 -46,-2.3 -2,-0.2 2,-0.4 -0.838 8.3-139.4-113.3 150.6 -12.1 -5.2 11.7 95 96 A L E -c 48 0A 5 -2,-0.3 99,-1.7 97,-0.2 100,-1.3 -0.923 10.4-168.7-113.7 133.5 -9.5 -2.4 11.7 96 97 A M E -cd 49 195A 0 -48,-3.1 -46,-2.3 -2,-0.4 100,-0.2 -0.988 14.7-158.5-115.9 125.0 -5.8 -2.8 10.8 97 98 A V E - d 0 196A 0 98,-2.1 100,-2.2 -2,-0.5 2,-0.4 -0.621 20.6-107.4-101.8 165.5 -3.6 0.2 11.6 98 99 A D E - d 0 197A 0 -48,-0.5 2,-0.6 -2,-0.2 -45,-0.2 -0.735 25.5-156.2 -94.0 136.6 -0.3 1.2 10.2 99 100 A V E - d 0 198A 4 98,-3.2 100,-2.8 -2,-0.4 2,-0.7 -0.948 9.9-176.6-118.5 116.7 2.9 0.7 12.3 100 101 A V + 0 0 1 -2,-0.6 -35,-0.2 98,-0.2 100,-0.1 -0.812 27.5 138.8-114.1 86.3 5.8 2.9 11.4 101 102 A I + 0 0 0 -2,-0.7 3,-0.1 98,-0.3 -1,-0.1 0.073 49.0 83.0-121.3 24.2 8.7 1.9 13.6 102 103 A N S S- 0 0 0 1,-0.3 68,-2.1 97,-0.1 2,-0.3 0.709 112.0 -0.1 -88.0 -27.5 11.7 1.9 11.3 103 104 A H B -I 169 0C 2 66,-0.3 -1,-0.3 -40,-0.1 66,-0.2 -0.957 65.8-149.8-153.2 163.2 11.9 5.7 11.9 104 105 A S - 0 0 0 64,-2.0 -38,-0.2 -2,-0.3 2,-0.1 -0.742 39.0 -82.5-127.3 178.0 10.1 8.4 13.8 105 106 A S > - 0 0 0 -40,-2.4 3,-1.0 -2,-0.2 6,-0.3 -0.458 34.0-123.7 -77.5 158.3 9.6 12.1 13.2 106 107 A D T 3 S+ 0 0 25 60,-1.5 -1,-0.1 1,-0.2 61,-0.1 0.581 112.7 63.0 -78.7 -5.3 12.5 14.4 14.2 107 108 A Q T 3 S+ 0 0 95 59,-0.3 -1,-0.2 4,-0.1 -41,-0.1 0.514 75.5 113.6 -92.9 -7.3 9.9 16.2 16.3 108 109 A H S X> S- 0 0 13 -3,-1.0 4,-2.0 -43,-0.2 3,-1.0 -0.426 79.0-120.8 -62.4 137.8 9.3 13.1 18.5 109 110 A E H 3> S+ 0 0 116 -43,-0.6 4,-2.3 1,-0.3 5,-0.3 0.834 110.8 63.0 -50.4 -37.9 10.5 13.8 22.1 110 111 A W H 3> S+ 0 0 30 1,-0.2 4,-2.9 2,-0.2 -1,-0.3 0.911 107.9 41.0 -53.4 -46.4 12.9 10.8 21.8 111 112 A F H <> S+ 0 0 5 -3,-1.0 4,-2.6 -6,-0.3 -1,-0.2 0.870 110.2 57.0 -71.9 -38.5 14.8 12.5 19.0 112 113 A K H < S+ 0 0 95 -4,-2.0 4,-0.4 1,-0.2 -1,-0.2 0.897 116.3 38.0 -59.2 -37.2 14.7 16.0 20.6 113 114 A S H >X S+ 0 0 33 -4,-2.3 3,-1.5 -5,-0.2 4,-0.6 0.931 112.6 57.5 -76.3 -48.1 16.4 14.4 23.6 114 115 A S H 3< S+ 0 0 0 -4,-2.9 3,-0.5 -5,-0.3 6,-0.2 0.859 106.5 48.0 -51.1 -41.9 18.6 12.1 21.6 115 116 A R T 3< S+ 0 0 93 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.613 89.9 84.6 -79.4 -11.1 20.2 15.0 19.7 116 117 A A T <4 S- 0 0 39 -3,-1.5 2,-0.3 -4,-0.4 -1,-0.2 0.873 105.3 -20.1 -59.7 -42.0 20.9 17.1 22.7 117 118 A S >< - 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0 0 3 -4,-3.1 3,-1.4 -5,-0.2 4,-0.2 -0.096 59.8-137.6 -52.9 139.8 50.6 44.5 20.8 970 414 B R G > S+ 0 0 15 1,-0.3 3,-1.8 -87,-0.2 4,-0.4 0.695 97.9 79.0 -70.8 -14.2 52.5 42.4 23.3 971 415 B D G >> S+ 0 0 0 1,-0.3 3,-1.2 2,-0.2 4,-0.6 0.798 78.2 71.3 -64.4 -22.5 54.4 40.9 20.4 972 416 B N G <4 S+ 0 0 0 -3,-1.4 3,-0.3 1,-0.3 -1,-0.3 0.807 101.0 45.4 -61.5 -24.8 56.5 44.1 20.4 973 417 B A G <4 S+ 0 0 1 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.516 107.1 61.3 -93.5 -6.2 58.0 42.8 23.7 974 418 B R T <4 + 0 0 2 -3,-1.2 -2,-0.2 -4,-0.4 -1,-0.2 0.400 65.7 116.0-104.6 1.0 58.5 39.3 22.4 975 419 B T S < S- 0 0 1 -4,-0.6 21,-0.1 -3,-0.3 20,-0.1 -0.447 83.7 -75.2 -69.8 147.2 60.9 39.6 19.5 976 420 B P - 0 0 0 0, 0.0 21,-0.4 0, 0.0 -400,-0.2 -0.054 51.6-101.2 -46.0 136.6 64.3 37.8 20.2 977 421 B F - 0 0 0 -402,-2.3 2,-1.1 -3,-0.1 -55,-0.1 -0.332 36.0-124.1 -57.9 139.0 66.7 39.4 22.7 978 422 B Q + 0 0 0 1,-0.2 27,-2.5 -3,-0.1 8,-0.1 -0.735 41.2 163.1 -97.8 94.3 69.5 41.2 20.7 979 423 B W - 0 0 15 6,-1.5 27,-2.9 -2,-1.1 2,-0.2 0.866 63.7 -34.0 -77.2 -42.4 72.8 39.7 22.0 980 424 B D S S- 0 0 50 5,-1.8 7,-0.1 25,-0.2 -1,-0.1 -0.811 70.3 -80.5-158.7-161.8 75.2 40.8 19.2 981 425 B D S S+ 0 0 105 -2,-0.2 3,-0.1 4,-0.1 2,-0.1 0.058 83.5 109.6-110.4 31.4 75.2 41.3 15.4 982 426 B S S > S- 0 0 56 1,-0.2 3,-1.4 2,-0.1 4,-0.2 -0.260 90.8 -43.2 -85.9-177.3 75.6 37.8 14.1 983 427 B A G > S+ 0 0 70 1,-0.3 3,-1.9 2,-0.2 5,-0.5 -0.228 134.2 1.2 -51.4 133.3 72.7 36.1 12.4 984 428 B N G > S- 0 0 50 1,-0.3 3,-2.7 2,-0.2 4,-0.4 0.868 126.9 -71.5 51.3 42.4 69.4 36.8 14.3 985 429 B A G < S- 0 0 0 -3,-1.4 -5,-1.8 1,-0.3 -6,-1.5 0.675 84.8 -67.0 48.8 25.1 71.3 38.9 16.7 986 430 B G G < S+ 0 0 15 -3,-1.9 -1,-0.3 2,-0.3 -2,-0.2 0.664 110.5 116.5 77.4 13.2 72.9 35.8 18.2 987 431 B F S < S+ 0 0 0 -3,-2.7 -409,-2.2 1,-0.3 2,-0.3 0.832 82.3 1.5 -80.8 -36.5 69.6 34.6 19.6 988 432 B T - 0 0 8 -5,-0.5 -2,-0.3 -4,-0.4 -1,-0.3 -0.993 46.6-142.7-151.4 157.9 69.6 31.5 17.5 989 433 B T S S+ 0 0 136 -2,-0.3 2,-0.1 -3,-0.1 -5,-0.1 0.385 96.3 40.5 -97.8 -0.4 71.5 29.5 14.9 990 434 B G S S- 0 0 27 -6,-0.1 -2,-0.2 -7,-0.1 -408,-0.1 -0.158 113.7 -48.2-119.2-143.9 68.2 28.6 13.2 991 435 B K - 0 0 182 -410,-0.5 -2,-0.1 -2,-0.1 4,-0.1 -0.878 56.9-125.0-103.0 118.9 65.0 30.4 12.4 992 436 B P - 0 0 12 0, 0.0 -408,-0.2 0, 0.0 -409,-0.1 -0.254 13.9-126.4 -61.4 142.5 63.5 32.4 15.3 993 437 B W S S+ 0 0 48 -410,-2.4 2,-0.4 -419,-0.2 -409,-0.1 0.825 103.8 25.4 -59.6 -30.3 59.9 31.6 16.2 994 438 B L S S- 0 0 17 -411,-0.3 -1,-0.2 -20,-0.1 -56,-0.0 -1.000 105.3 -96.5-134.5 132.2 59.2 35.4 15.8 995 439 B K - 0 0 117 -2,-0.4 2,-0.1 -58,-0.1 -2,-0.1 -0.117 35.3-117.8 -51.7 139.5 61.4 37.6 13.6 996 440 B V - 0 0 13 -21,-0.1 -1,-0.1 1,-0.1 -19,-0.1 -0.444 35.3-101.4 -73.9 147.1 64.3 39.7 15.1 997 441 B N > - 0 0 6 -21,-0.4 3,-1.6 1,-0.2 -1,-0.1 -0.513 25.9-131.5 -68.5 134.5 64.0 43.5 14.9 998 442 B P G > S+ 0 0 79 0, 0.0 3,-1.3 0, 0.0 -1,-0.2 0.787 100.7 75.7 -59.4 -23.2 66.3 44.7 12.0 999 443 B N G >> + 0 0 38 1,-0.3 4,-2.5 2,-0.1 3,-1.4 0.394 62.6 99.6 -72.4 11.5 67.7 47.3 14.3 1000 444 B Y G <4 + 0 0 57 -3,-1.6 -1,-0.3 1,-0.3 -3,-0.0 0.758 69.0 71.5 -67.0 -20.7 69.8 44.6 16.1 1001 445 B T G <4 S+ 0 0 69 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.1 0.792 114.9 23.3 -63.9 -27.7 72.7 45.8 14.0 1002 446 B E T <4 S+ 0 0 119 -3,-1.4 2,-0.7 1,-0.2 -2,-0.2 0.695 124.5 54.0-107.8 -28.8 72.8 48.9 16.1 1003 447 B I S < S+ 0 0 3 -4,-2.5 2,-0.3 -23,-0.1 -1,-0.2 -0.894 72.6 117.9-115.2 102.7 71.1 47.7 19.3 1004 448 B N > - 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