==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-JUN-04 1TJ5 . COMPND 2 MOLECULE: SUCROSE-PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCYSTIS SP. PCC 6803; . AUTHOR S.FIEULAINE,J.E.LUNN,F.BOREL,J.-L.FERRER . 244 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11107.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 76.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 . 17 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 71 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 3.3 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 0 1 0 0 1 1 3 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 2 1 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 . 1 1 2 1 0 1 0 0 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 . 0 0 1 0 0 0 1 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 1 A M 0 0 190 0, 0.0 2,-0.2 0, 0.0 174,-0.1 0.000 360.0 360.0 360.0 0.3 55.0 31.7 98.6 2 2 A R - 0 0 71 1,-0.1 33,-0.2 2,-0.0 32,-0.1 -0.602 360.0-121.3-102.1 167.6 54.9 29.3 101.5 3 3 A Q S S+ 0 0 79 31,-1.1 2,-0.4 -2,-0.2 32,-0.2 0.643 89.2 36.6 -85.4 -13.3 58.0 27.7 103.1 4 4 A L E -a 35 0A 0 30,-1.0 32,-2.7 238,-0.1 2,-0.6 -0.998 51.7-161.9-145.7 140.5 57.0 24.1 102.5 5 5 A L E -ab 36 181A 0 175,-2.3 177,-2.4 -2,-0.4 2,-0.6 -0.972 24.4-163.1-115.7 106.5 55.3 21.9 99.9 6 6 A L E +ab 37 182A 0 30,-3.2 32,-2.8 -2,-0.6 2,-0.5 -0.863 10.5 179.6-100.7 119.0 54.3 18.8 101.7 7 7 A I E +ab 38 183A 0 175,-2.8 177,-2.2 -2,-0.6 2,-0.3 -0.974 9.9 166.4-121.7 122.0 53.4 15.8 99.5 8 8 A S E -ab 39 184A 0 30,-2.2 32,-2.2 -2,-0.5 177,-0.2 -0.984 35.1-125.1-142.2 148.3 52.4 12.5 101.0 9 9 A D > - 0 0 7 175,-1.7 5,-1.1 -2,-0.3 32,-0.2 -0.426 25.0-146.0 -77.6 163.4 50.8 9.2 100.2 10 10 A L T >>>S+ 0 0 0 3,-0.2 5,-3.1 4,-0.2 3,-2.0 0.882 70.2 66.2 -96.8 -75.8 47.8 8.2 102.3 11 11 A D B 345S-h 15 0B 45 1,-0.3 5,-0.1 3,-0.2 175,-0.1 -0.243 122.3 -3.3 -54.7 128.7 47.5 4.5 103.0 12 12 A N T 345S+ 0 0 75 3,-0.8 217,-0.5 1,-0.2 -1,-0.3 0.453 136.5 56.1 68.7 1.5 50.4 3.2 105.2 13 13 A T T <45S+ 0 0 0 -3,-2.0 219,-0.2 2,-0.2 -3,-0.2 0.555 124.1 7.5-121.5 -79.9 52.0 6.6 105.2 14 14 A W T < - 0 0 56 -3,-0.2 4,-2.8 1,-0.1 3,-0.4 -0.828 64.3-167.6-128.1 89.3 48.6 4.9 112.9 18 18 A Q H > S+ 0 0 80 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.861 86.2 51.1 -47.5 -45.8 45.6 7.0 114.1 19 19 A Q H > S+ 0 0 144 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.918 113.3 44.3 -61.0 -43.7 47.5 8.5 117.1 20 20 A A H > S+ 0 0 4 -3,-0.4 4,-2.1 2,-0.2 5,-0.2 0.892 111.2 54.2 -68.0 -39.2 50.4 9.6 114.9 21 21 A L H X S+ 0 0 1 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.953 109.9 49.3 -58.0 -47.4 48.0 10.9 112.3 22 22 A E H X S+ 0 0 110 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.898 112.5 43.3 -62.7 -44.0 46.4 13.0 114.9 23 23 A H H X S+ 0 0 83 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.792 112.7 54.7 -76.3 -20.3 49.5 14.5 116.4 24 24 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.2 5,-0.2 0.939 113.4 41.7 -71.5 -45.2 50.9 15.2 112.9 25 25 A Q H X S+ 0 0 32 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.830 111.9 55.6 -70.6 -30.4 47.7 17.0 112.0 26 26 A E H X S+ 0 0 133 -4,-2.1 4,-0.5 -5,-0.2 -1,-0.2 0.960 111.9 43.6 -65.1 -49.3 47.6 18.8 115.4 27 27 A Y H >< S+ 0 0 64 -4,-2.1 3,-1.4 1,-0.2 4,-0.2 0.951 118.1 43.0 -60.0 -52.2 51.1 20.1 114.8 28 28 A L H >< S+ 0 0 0 -4,-2.6 3,-1.6 1,-0.3 -1,-0.2 0.823 105.0 66.9 -64.9 -30.1 50.5 21.1 111.2 29 29 A G H 3< S+ 0 0 45 -4,-2.2 3,-0.4 1,-0.3 -1,-0.3 0.655 93.6 59.3 -65.7 -15.9 47.1 22.5 112.2 30 30 A D T << S+ 0 0 127 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.477 117.2 29.4 -91.1 -4.2 48.9 25.2 114.2 31 31 A R S X S+ 0 0 76 -3,-1.6 3,-2.5 -4,-0.2 4,-0.3 -0.142 72.8 147.4-145.0 39.2 50.8 26.6 111.2 32 32 A R G > S+ 0 0 71 -3,-0.4 3,-0.9 1,-0.3 -2,-0.1 0.796 70.4 57.3 -48.3 -37.1 48.3 25.8 108.4 33 33 A G G 3 S+ 0 0 52 1,-0.2 -1,-0.3 -4,-0.1 -4,-0.1 0.521 93.0 69.3 -77.7 -4.0 49.3 28.9 106.4 34 34 A N G < S+ 0 0 69 -3,-2.5 -31,-1.1 -6,-0.2 -30,-1.0 0.505 101.2 36.9 -92.4 -3.9 53.0 28.0 106.2 35 35 A F E < -a 4 0A 0 -3,-0.9 2,-0.4 -4,-0.3 -30,-0.2 -0.981 66.4-130.2-146.9 157.8 52.7 25.0 103.9 36 36 A Y E -a 5 0A 28 -32,-2.7 -30,-3.2 -2,-0.3 2,-0.4 -0.878 29.9-152.4-102.4 139.0 50.9 23.7 100.8 37 37 A L E +a 6 0A 0 -2,-0.4 24,-2.7 -32,-0.2 25,-1.9 -0.953 16.9 175.4-119.7 134.0 49.6 20.2 101.3 38 38 A A E -ac 7 62A 0 -32,-2.8 -30,-2.2 -2,-0.4 2,-0.6 -0.999 21.4-146.5-136.9 132.7 49.0 17.6 98.6 39 39 A Y E -ac 8 63A 0 23,-1.7 25,-3.3 -2,-0.4 2,-0.8 -0.895 11.5-166.3 -98.1 119.9 48.0 14.0 99.0 40 40 A A E + c 0 64A 0 -32,-2.2 2,-0.3 -2,-0.6 25,-0.2 -0.878 27.5 162.9-108.1 95.6 49.6 11.8 96.3 41 41 A T - 0 0 1 23,-1.8 26,-2.8 -2,-0.8 27,-0.6 -0.765 52.1-134.8-119.1 160.4 47.6 8.6 96.5 42 42 A G S S+ 0 0 19 24,-0.3 -1,-0.1 -2,-0.3 23,-0.1 0.629 82.4 98.4 -82.9 -14.6 47.0 5.6 94.4 43 43 A R S S- 0 0 56 23,-0.1 23,-3.1 1,-0.1 24,-0.2 -0.328 82.9-109.1 -72.4 154.1 43.3 5.9 95.2 44 44 A S > - 0 0 31 21,-0.2 4,-2.5 22,-0.1 5,-0.2 -0.305 38.6-101.5 -72.3 168.4 40.8 7.6 92.9 45 45 A Y H > S+ 0 0 66 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.929 123.3 49.8 -58.6 -48.4 39.5 11.0 94.1 46 46 A H H > S+ 0 0 135 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.919 112.8 47.0 -57.5 -46.5 36.2 9.5 95.3 47 47 A S H > S+ 0 0 31 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.887 110.4 52.8 -64.1 -38.9 38.1 6.9 97.3 48 48 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.922 109.6 49.6 -62.4 -42.6 40.5 9.4 98.7 49 49 A R H X S+ 0 0 62 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.855 108.7 51.7 -64.6 -37.8 37.5 11.5 99.9 50 50 A E H X S+ 0 0 63 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.907 108.9 51.1 -67.0 -38.7 35.9 8.5 101.5 51 51 A L H X S+ 0 0 5 -4,-2.2 4,-2.6 1,-0.2 5,-0.4 0.892 104.2 58.4 -63.7 -39.4 39.1 7.8 103.4 52 52 A Q H X>S+ 0 0 26 -4,-2.0 4,-1.3 1,-0.2 5,-1.0 0.869 108.4 45.4 -57.7 -38.8 39.2 11.4 104.5 53 53 A K H <5S+ 0 0 138 -4,-1.4 -1,-0.2 3,-0.2 -2,-0.2 0.844 111.9 53.5 -73.7 -33.6 35.8 11.0 106.2 54 54 A Q H <5S+ 0 0 129 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.927 127.0 17.2 -67.6 -47.8 36.9 7.6 107.7 55 55 A V H <5S- 0 0 26 -4,-2.6 -2,-0.2 -5,-0.1 -1,-0.2 0.400 106.2-111.7-107.9 1.3 40.1 8.8 109.4 56 56 A G T <5 - 0 0 45 -4,-1.3 -3,-0.2 -5,-0.4 -4,-0.2 0.918 39.8-164.9 71.1 45.8 39.5 12.6 109.5 57 57 A L < - 0 0 6 -5,-1.0 -1,-0.2 -6,-0.2 2,-0.1 -0.383 24.0-112.9 -63.4 135.7 42.2 13.7 107.0 58 58 A M - 0 0 30 1,-0.1 -1,-0.1 -2,-0.1 -2,-0.0 -0.409 42.3 -91.1 -69.4 148.5 42.9 17.4 107.1 59 59 A E - 0 0 96 -2,-0.1 -1,-0.1 -3,-0.1 2,-0.1 -0.400 45.2-150.7 -62.9 122.4 41.9 19.3 104.0 60 60 A P - 0 0 8 0, 0.0 -22,-0.2 0, 0.0 3,-0.1 -0.404 18.9-128.4 -89.4 171.6 44.8 19.4 101.5 61 61 A D S S+ 0 0 32 -24,-2.7 2,-0.3 1,-0.3 -23,-0.2 0.798 92.6 16.7 -86.1 -31.1 45.4 22.2 99.0 62 62 A Y E -c 38 0A 26 -25,-1.9 -23,-1.7 11,-0.1 2,-0.5 -0.978 62.7-146.6-142.1 153.0 45.7 19.6 96.2 63 63 A W E -cD 39 72A 5 9,-1.9 9,-2.6 -2,-0.3 2,-0.9 -0.982 6.3-170.3-121.5 118.8 44.9 16.0 95.4 64 64 A L E -cD 40 71A 0 -25,-3.3 -23,-1.8 -2,-0.5 3,-0.3 -0.859 30.8-178.6-107.6 91.8 47.2 14.1 93.2 65 65 A T E >>> + D 0 70A 0 5,-2.2 5,-1.6 -2,-0.9 4,-1.1 -0.418 46.1 25.1 -96.1 168.8 45.1 11.0 92.8 66 66 A A G >45S- 0 0 3 -23,-3.1 3,-0.9 1,-0.3 -24,-0.3 0.897 136.6 -50.2 47.7 49.3 45.3 7.6 91.0 67 67 A V G 345S- 0 0 1 -26,-2.8 95,-0.9 -3,-0.3 -1,-0.3 0.814 110.5 -50.5 62.4 32.9 49.1 7.7 91.1 68 68 A G G <45S+ 0 0 0 -3,-0.6 -1,-0.2 -27,-0.6 -2,-0.2 0.597 108.1 120.6 84.2 11.3 49.1 11.3 89.7 69 69 A S T <<5S+ 0 0 1 -4,-1.1 2,-0.4 -3,-0.9 -3,-0.2 0.717 79.9 33.3 -79.6 -20.1 46.8 10.5 86.7 70 70 A E E - E 0 76A 37 3,-3.1 3,-1.6 -2,-0.5 -11,-0.1 -0.518 44.7 -98.1 -95.5 169.0 42.7 21.9 92.6 74 74 A P T 3 S+ 0 0 106 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.883 130.6 49.4 -55.3 -32.5 40.4 23.5 95.2 75 75 A E T 3 S- 0 0 104 1,-0.3 2,-0.3 0, 0.0 -3,-0.0 0.568 124.1 -92.4 -82.0 -11.5 38.5 24.7 92.1 76 76 A G E < -E 73 0A 29 -3,-1.6 -3,-3.1 2,-0.0 -1,-0.3 -0.815 68.6 -4.8 134.3-173.9 38.4 21.3 90.5 77 77 A L E -E 72 0A 71 -2,-0.3 2,-0.9 -5,-0.2 -5,-0.2 -0.287 64.2-120.2 -59.5 134.8 40.0 18.8 88.1 78 78 A D > - 0 0 16 -7,-2.8 4,-1.7 1,-0.2 -7,-0.3 -0.687 28.0-175.8 -82.0 105.4 43.0 20.1 86.2 79 79 A Q H > S+ 0 0 110 -2,-0.9 4,-2.6 2,-0.2 5,-0.2 0.766 80.7 59.6 -73.1 -26.8 42.0 19.9 82.5 80 80 A H H > S+ 0 0 113 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.917 107.0 46.7 -67.3 -41.7 45.5 21.0 81.4 81 81 A W H > S+ 0 0 3 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.913 111.8 51.8 -65.1 -42.2 47.1 18.0 83.1 82 82 A A H X S+ 0 0 4 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.945 112.0 44.7 -60.1 -49.3 44.5 15.7 81.7 83 83 A D H X S+ 0 0 94 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.890 111.2 55.2 -61.8 -39.6 45.1 16.9 78.1 84 84 A Y H < S+ 0 0 83 -4,-2.3 3,-0.4 1,-0.2 -1,-0.2 0.895 110.5 44.3 -60.6 -42.0 48.9 16.8 78.7 85 85 A L H < S+ 0 0 1 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.768 106.1 62.1 -75.7 -25.1 48.6 13.1 79.7 86 86 A S H >< S+ 0 0 52 -4,-1.7 3,-1.0 -5,-0.2 2,-0.3 0.725 77.0 108.5 -72.0 -22.9 46.3 12.2 76.8 87 87 A E T 3< S- 0 0 94 -4,-1.0 3,-0.1 -3,-0.4 -3,-0.0 -0.401 100.8 -11.8 -61.9 117.9 48.9 13.2 74.3 88 88 A H T 3 S+ 0 0 123 -2,-0.3 2,-0.3 1,-0.2 -1,-0.3 0.344 99.9 137.8 74.3 -8.2 50.3 10.1 72.5 89 89 A W < - 0 0 22 -3,-1.0 2,-0.4 -4,-0.2 -1,-0.2 -0.558 32.7-173.4 -74.1 129.9 48.6 7.9 75.1 90 90 A Q > + 0 0 102 -2,-0.3 4,-1.7 1,-0.2 3,-0.3 -0.717 8.1 173.3-125.5 79.4 46.9 4.8 73.6 91 91 A R H > S+ 0 0 49 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.897 73.9 55.5 -53.4 -50.3 45.0 3.1 76.5 92 92 A D H > S+ 0 0 126 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.880 108.0 47.3 -53.3 -46.6 43.2 0.5 74.3 93 93 A I H > S+ 0 0 83 -3,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.921 113.4 47.6 -64.3 -43.9 46.4 -1.0 72.8 94 94 A L H X S+ 0 0 0 -4,-1.7 4,-2.8 1,-0.2 -2,-0.2 0.888 111.8 50.7 -65.3 -38.6 48.2 -1.2 76.2 95 95 A Q H X S+ 0 0 64 -4,-2.5 4,-3.3 2,-0.2 -1,-0.2 0.894 106.1 55.3 -66.1 -40.0 45.1 -2.9 77.8 96 96 A A H X S+ 0 0 67 -4,-2.1 4,-0.7 -5,-0.2 -1,-0.2 0.917 112.0 44.3 -58.9 -42.8 44.9 -5.4 75.0 97 97 A I H >< S+ 0 0 37 -4,-1.8 3,-1.1 2,-0.2 4,-0.3 0.965 115.9 44.8 -66.9 -53.0 48.5 -6.4 75.7 98 98 A A H >< S+ 0 0 0 -4,-2.8 3,-1.9 1,-0.3 6,-0.2 0.884 107.5 59.3 -59.4 -39.9 48.2 -6.5 79.5 99 99 A D H 3< S+ 0 0 76 -4,-3.3 -1,-0.3 1,-0.3 -2,-0.2 0.756 96.1 65.6 -60.8 -23.8 44.9 -8.4 79.3 100 100 A G T << S+ 0 0 64 -3,-1.1 2,-0.7 -4,-0.7 -1,-0.3 0.596 77.7 98.1 -75.6 -11.9 46.8 -11.1 77.5 101 101 A F X - 0 0 26 -3,-1.9 3,-2.0 -4,-0.3 -3,-0.0 -0.709 62.2-155.9 -84.3 113.5 49.0 -11.9 80.5 102 102 A E T 3 S+ 0 0 186 -2,-0.7 -1,-0.2 1,-0.3 -4,-0.0 0.805 92.4 59.3 -54.0 -35.2 47.6 -15.0 82.3 103 103 A A T 3 S+ 0 0 16 18,-0.1 19,-2.8 23,-0.1 2,-0.4 0.565 96.0 78.4 -74.4 -8.9 49.2 -13.9 85.6 104 104 A L E < -I 121 0C 12 -3,-2.0 17,-0.2 17,-0.2 15,-0.0 -0.852 56.7-172.1-107.8 139.2 47.3 -10.6 85.6 105 105 A K E -I 120 0C 92 15,-1.9 15,-2.8 -2,-0.4 -3,-0.0 -0.985 33.7-108.1-124.2 134.8 43.7 -10.0 86.6 106 106 A P E -I 119 0C 87 0, 0.0 13,-0.3 0, 0.0 2,-0.2 -0.287 30.4-125.4 -62.0 147.3 42.0 -6.7 86.0 107 107 A Q - 0 0 20 11,-2.3 11,-0.1 1,-0.2 5,-0.1 -0.527 50.0 -67.9 -85.6 162.2 41.4 -4.6 89.1 108 108 A S > - 0 0 84 -2,-0.2 3,-2.4 1,-0.1 4,-0.4 -0.105 48.2-111.4 -50.4 147.1 37.8 -3.4 89.6 109 109 A P G > S+ 0 0 109 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 0.846 115.5 63.4 -49.0 -40.6 36.5 -0.9 87.1 110 110 A L G 3 S+ 0 0 153 1,-0.3 -66,-0.1 -66,-0.0 -2,-0.1 0.616 96.5 59.3 -64.8 -9.9 36.4 1.9 89.7 111 111 A E G < S+ 0 0 71 -3,-2.4 -1,-0.3 7,-0.1 2,-0.2 0.552 96.8 81.4 -91.6 -10.2 40.1 1.6 90.0 112 112 A Q < + 0 0 44 -3,-2.2 5,-0.2 -4,-0.4 -46,-0.0 -0.600 50.5 165.6 -96.6 156.9 40.5 2.5 86.3 113 113 A N B > -L 116 0D 22 3,-1.7 3,-2.4 -2,-0.2 -2,-0.0 -0.937 55.4 -82.1-156.4 168.0 40.5 5.8 84.6 114 114 A P T 3 S+ 0 0 74 0, 0.0 -23,-0.2 0, 0.0 3,-0.0 0.775 130.5 34.3 -47.1 -32.0 41.4 7.1 81.1 115 115 A W T 3 S+ 0 0 27 1,-0.1 2,-0.4 -46,-0.0 46,-0.1 0.106 112.2 69.6-112.8 20.4 45.1 7.3 82.1 116 116 A K B < +L 113 0D 3 -3,-2.4 -3,-1.7 41,-0.1 2,-0.5 -0.949 47.6 178.6-146.2 122.1 45.3 4.4 84.4 117 117 A I E - 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0 0 7 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.1 -0.872 39.8-129.2-106.4 138.4 58.0 26.1 95.0 177 177 A E > - 0 0 113 -2,-0.4 3,-1.6 -3,-0.1 -172,-0.2 -0.483 18.2-119.5 -85.3 155.2 61.6 24.8 94.9 178 178 A P G > S+ 0 0 43 0, 0.0 3,-2.1 0, 0.0 21,-0.9 0.887 117.1 60.5 -58.3 -37.6 62.7 21.2 95.4 179 179 A S G 3 S+ 0 0 65 1,-0.3 19,-0.0 19,-0.2 -3,-0.0 0.701 105.7 48.5 -62.5 -18.8 64.6 22.3 98.5 180 180 A Q G < S+ 0 0 55 -3,-1.6 -175,-2.3 -176,-0.1 2,-0.4 0.306 99.4 90.6-101.8 5.4 61.3 23.5 99.8 181 181 A T E < -b 5 0A 0 -3,-2.1 18,-2.2 -177,-0.2 2,-0.4 -0.849 50.8-171.1-110.6 141.4 59.5 20.2 99.0 182 182 A L E -bf 6 199A 0 -177,-2.4 -175,-2.8 -2,-0.4 2,-0.4 -0.980 6.6-165.9-129.6 117.9 59.1 17.0 101.2 183 183 A V E -bf 7 200A 0 16,-2.8 18,-2.4 -2,-0.4 2,-0.4 -0.855 4.5-163.7-104.1 140.1 57.7 13.9 99.6 184 184 A C E +bf 8 201A 0 -177,-2.2 -175,-1.7 -2,-0.4 2,-0.3 -0.988 19.5 151.2-127.1 130.2 56.6 11.0 101.8 185 185 A G E - f 0 202A 0 16,-1.9 18,-1.9 -2,-0.4 21,-0.1 -0.935 34.8-164.2-151.7 174.3 55.9 7.4 100.7 186 186 A D + 0 0 2 -2,-0.3 21,-3.5 16,-0.2 24,-0.3 0.412 67.4 27.4-140.8 -6.4 55.9 3.7 101.6 187 187 A S S > S- 0 0 5 19,-0.2 3,-2.4 23,-0.1 4,-0.4 -0.857 89.1 -70.7-150.6-174.1 55.8 1.7 98.3 188 188 A G G > S+ 0 0 7 1,-0.3 3,-1.1 -2,-0.3 4,-0.3 0.786 120.1 59.7 -53.6 -33.2 56.5 1.1 94.7 189 189 A N G 3 S+ 0 0 21 1,-0.2 -1,-0.3 2,-0.1 -26,-0.2 0.372 102.2 56.3 -81.1 9.6 54.0 3.6 93.6 190 190 A D G X> S+ 0 0 0 -3,-2.4 4,-1.3 2,-0.1 3,-1.2 0.421 77.1 94.1-112.5 -6.5 55.9 6.3 95.5 191 191 A I H <> S+ 0 0 37 -3,-1.1 4,-1.2 -4,-0.4 3,-0.2 0.879 78.5 60.9 -55.4 -39.6 59.2 5.7 93.7 192 192 A G H 3> S+ 0 0 5 -4,-0.3 4,-0.5 1,-0.2 -1,-0.3 0.849 100.7 56.2 -57.1 -32.6 58.5 8.5 91.2 193 193 A L H X4 S+ 0 0 0 -3,-1.2 3,-1.1 1,-0.2 5,-0.4 0.922 108.0 45.7 -64.5 -45.1 58.3 10.9 94.2 194 194 A F H 3< S+ 0 0 0 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.619 101.5 67.4 -74.3 -12.5 61.9 9.9 95.3 195 195 A E H 3< S+ 0 0 112 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.677 88.8 84.5 -79.3 -17.0 63.1 10.2 91.7 196 196 A T S << S- 0 0 3 -3,-1.1 -13,-0.1 -4,-0.5 -31,-0.0 -0.330 94.2-113.9 -77.8 167.7 62.4 14.0 92.0 197 197 A S S S+ 0 0 73 -2,-0.1 -16,-0.1 2,-0.0 -1,-0.1 0.283 80.1 115.6 -86.9 12.9 65.0 16.3 93.5 198 198 A A S S- 0 0 1 -5,-0.4 -16,-0.2 1,-0.1 -19,-0.2 -0.347 79.6 -95.0 -77.0 161.7 62.7 17.0 96.5 199 199 A R E -f 182 0A 69 -18,-2.2 -16,-2.8 -21,-0.9 2,-0.3 -0.503 53.3-164.7 -71.9 147.2 63.6 16.1 100.0 200 200 A G E -fg 183 222A 0 21,-2.5 23,-3.1 -18,-0.2 2,-0.4 -0.980 22.6-156.5-142.8 154.7 62.0 12.7 100.9 201 201 A V E -fg 184 223A 0 -18,-2.4 -16,-1.9 -2,-0.3 2,-0.6 -0.994 7.1-156.5-132.0 128.7 61.1 10.4 103.7 202 202 A I E -fg 185 224A 0 21,-2.6 23,-1.8 -2,-0.4 -16,-0.2 -0.918 29.0-124.8-102.3 117.6 60.6 6.7 103.5 203 203 A V > - 0 0 0 -18,-1.9 3,-1.6 -2,-0.6 25,-0.2 -0.242 17.0-116.7 -62.9 150.9 58.4 5.5 106.3 204 204 A R T 3 S+ 0 0 125 23,-2.2 24,-0.2 1,-0.3 -1,-0.1 0.863 115.0 55.3 -55.8 -39.0 59.8 2.7 108.6 205 205 A N T 3 S+ 0 0 41 -193,-0.2 -1,-0.3 22,-0.1 -2,-0.1 0.054 82.6 149.2 -84.2 26.0 56.9 0.4 107.5 206 206 A A < - 0 0 13 -3,-1.6 -19,-0.2 1,-0.1 -20,-0.1 -0.195 50.5-104.7 -62.4 151.7 57.9 0.8 103.8 207 207 A Q >> - 0 0 55 -21,-3.5 4,-1.8 1,-0.1 3,-0.7 -0.335 33.2-104.6 -72.8 158.3 57.3 -2.1 101.4 208 208 A P H 3> S+ 0 0 91 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.869 116.7 55.4 -50.5 -47.1 60.2 -4.2 100.1 209 209 A E H 3> S+ 0 0 40 1,-0.2 4,-1.7 2,-0.2 -22,-0.1 0.851 108.4 48.6 -59.5 -36.8 60.3 -2.6 96.6 210 210 A L H <> S+ 0 0 0 -3,-0.7 4,-2.6 -24,-0.3 -1,-0.2 0.921 112.1 47.3 -71.4 -42.4 60.7 0.8 98.1 211 211 A L H X S+ 0 0 39 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.919 112.6 50.2 -63.6 -41.8 63.5 -0.2 100.5 212 212 A H H X S+ 0 0 116 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.865 109.4 52.2 -63.6 -35.8 65.3 -2.0 97.7 213 213 A W H >X>S+ 0 0 24 -4,-1.7 4,-3.2 -5,-0.2 5,-0.5 0.945 108.0 51.4 -63.9 -47.4 64.9 1.1 95.6 214 214 A Y H 3X5S+ 0 0 65 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.884 104.2 57.2 -57.1 -41.8 66.5 3.2 98.4 215 215 A D H 3<5S+ 0 0 126 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.854 117.9 33.0 -59.1 -36.1 69.5 0.8 98.6 216 216 A Q H <<5S+ 0 0 124 -4,-1.3 -2,-0.2 -3,-0.5 -1,-0.2 0.866 137.1 17.2 -90.1 -41.4 70.3 1.3 95.0 217 217 A W H <5S+ 0 0 172 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.485 84.9 130.8-112.4 -4.3 69.3 4.9 94.3 218 218 A G << + 0 0 30 -4,-2.2 2,-0.2 -5,-0.5 -4,-0.0 -0.200 33.6 174.1 -52.1 137.8 69.0 6.5 97.8 219 219 A D > - 0 0 97 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.693 47.4 -71.5-135.2-172.2 70.9 9.7 98.1 220 220 A S T 3 S+ 0 0 115 1,-0.3 -2,-0.1 -2,-0.2 -21,-0.0 0.815 125.8 54.4 -52.9 -37.5 71.6 12.7 100.4 221 221 A R T 3 S+ 0 0 59 -22,-0.1 -21,-2.5 -27,-0.1 2,-0.5 0.529 92.5 88.5 -77.9 -6.8 68.1 14.1 100.0 222 222 A H E < -g 200 0A 9 -3,-1.9 2,-0.5 -23,-0.2 -21,-0.2 -0.833 60.9-161.0-100.2 125.9 66.4 10.8 101.0 223 223 A Y E -g 201 0A 41 -23,-3.1 -21,-2.6 -2,-0.5 2,-1.0 -0.904 11.1-150.6-111.8 124.7 65.7 10.1 104.7 224 224 A R E -g 202 0A 88 -2,-0.5 -21,-0.1 -23,-0.2 -23,-0.1 -0.783 28.3-144.9 -90.4 100.4 65.1 6.6 106.1 225 225 A A - 0 0 1 -23,-1.8 7,-0.1 -2,-1.0 8,-0.1 -0.284 17.7-152.8 -70.4 151.5 62.8 7.3 109.0 226 226 A Q S S+ 0 0 138 5,-0.1 2,-0.1 6,-0.1 -1,-0.1 0.743 80.1 73.8 -89.1 -30.7 62.8 5.3 112.3 227 227 A S S S- 0 0 49 4,-0.2 -23,-2.2 5,-0.1 2,-0.2 -0.457 79.0-132.0 -82.1 157.2 59.1 6.1 112.9 228 228 A S > - 0 0 45 -25,-0.2 3,-1.2 -24,-0.2 4,-0.5 -0.681 61.0 -12.1-107.0 163.1 56.3 4.4 111.0 229 229 A H T >> S- 0 0 32 -217,-0.5 3,-1.9 1,-0.2 4,-0.6 -0.080 130.2 -7.2 49.8-142.2 53.3 6.0 109.3 230 230 A A H >> S+ 0 0 0 -216,-0.3 4,-1.5 1,-0.3 3,-0.9 0.770 127.8 69.2 -55.7 -28.9 52.5 9.7 110.1 231 231 A G H <> S+ 0 0 12 -3,-1.2 4,-2.3 1,-0.3 -1,-0.3 0.849 92.4 59.9 -59.1 -32.1 55.2 9.7 112.7 232 232 A A H <> S+ 0 0 0 -3,-1.9 4,-2.3 -4,-0.5 -1,-0.3 0.817 101.3 54.2 -65.2 -30.9 57.8 9.4 109.9 233 233 A I H S+ 0 0 4 -4,-2.1 5,-2.7 1,-0.2 -1,-0.2 0.910 112.8 41.3 -57.3 -41.9 60.1 17.7 109.1 238 238 A A H ><5S+ 0 0 72 -4,-1.9 3,-0.7 3,-0.2 -2,-0.2 0.904 113.4 54.3 -72.0 -41.8 62.5 18.0 112.1 239 239 A H H 3<5S+ 0 0 105 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.928 115.8 36.5 -57.8 -50.6 65.3 16.2 110.2 240 240 A F T 3<5S- 0 0 39 -4,-3.0 -1,-0.3 -5,-0.1 -2,-0.2 0.395 110.8-126.6 -83.6 3.1 65.2 18.6 107.2 241 241 A D T < 5 + 0 0 108 -3,-0.7 3,-0.4 -5,-0.2 -3,-0.2 0.890 48.3 166.5 52.2 47.5 64.4 21.4 109.6 242 242 A F < + 0 0 24 -5,-2.7 -1,-0.1 1,-0.2 -238,-0.1 -0.466 56.8 29.3 -85.3 163.6 61.3 22.5 107.8 243 243 A L 0 0 9 1,-0.2 -1,-0.2 -209,-0.1 -2,-0.1 0.921 360.0 360.0 51.6 47.6 58.8 24.9 109.3 244 244 A S 0 0 132 -3,-0.4 -1,-0.2 -6,-0.0 -2,-0.0 -0.333 360.0 360.0 -52.3 360.0 61.6 26.5 111.4