==== 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 1TJ4 . 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) . 10746.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 189 77.5 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 . 18 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 28.7 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 1 0 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 0 200 0, 0.0 2,-0.2 0, 0.0 174,-0.1 0.000 360.0 360.0 360.0 2.8 54.5 31.6 97.9 2 2 A R - 0 0 71 1,-0.1 33,-0.2 2,-0.0 32,-0.1 -0.691 360.0-120.4-105.5 164.1 54.4 29.2 100.8 3 3 A Q S S+ 0 0 83 31,-0.8 2,-0.4 -2,-0.2 32,-0.2 0.635 88.0 39.4 -83.1 -10.6 57.5 27.5 102.3 4 4 A L E -a 35 0A 0 30,-0.9 32,-3.0 238,-0.1 2,-0.7 -0.994 51.4-161.0-146.1 138.5 56.5 23.9 101.7 5 5 A L E -ab 36 181A 1 175,-2.4 177,-2.9 -2,-0.4 2,-0.7 -0.951 24.2-165.5-112.4 103.4 54.9 21.7 99.0 6 6 A L E +ab 37 182A 0 30,-3.1 32,-3.0 -2,-0.7 2,-0.5 -0.854 9.6 178.6 -97.9 115.9 53.9 18.6 100.9 7 7 A I E +ab 38 183A 0 175,-3.4 177,-2.4 -2,-0.7 2,-0.4 -0.971 9.7 168.2-120.2 120.2 53.0 15.7 98.6 8 8 A S E -ab 39 184A 0 30,-2.3 32,-2.1 -2,-0.5 177,-0.2 -0.980 34.9-124.1-138.6 147.9 52.0 12.4 100.2 9 9 A D > - 0 0 4 175,-2.0 5,-1.5 -2,-0.4 32,-0.2 -0.448 24.6-145.9 -76.5 157.3 50.4 9.1 99.3 10 10 A L T > >S+ 0 0 0 3,-0.2 5,-3.2 4,-0.2 3,-1.5 0.929 71.1 68.3 -92.0 -69.9 47.3 8.3 101.3 11 11 A D B 3 5S-h 15 0B 47 1,-0.3 5,-0.1 3,-0.2 3,-0.1 -0.319 122.7 -8.2 -59.2 127.3 47.1 4.5 102.0 12 12 A N T 3 5S+ 0 0 73 3,-0.8 217,-0.6 1,-0.2 -1,-0.3 0.394 135.6 59.9 66.7 -0.7 49.8 3.2 104.3 13 13 A T T < 5S+ 0 0 0 -3,-1.5 219,-0.2 2,-0.2 4,-0.2 0.632 124.5 3.9-114.1 -80.5 51.6 6.6 104.2 14 14 A W T - 0 0 60 -3,-0.3 4,-3.0 -4,-0.2 3,-0.3 -0.883 67.5-164.7-110.0 94.8 48.2 4.8 111.9 18 18 A Q H > S+ 0 0 79 -2,-0.8 4,-2.5 1,-0.2 -1,-0.2 0.832 87.5 50.5 -49.4 -40.6 45.2 6.8 113.1 19 19 A Q H > S+ 0 0 140 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.914 111.9 46.6 -66.9 -43.2 47.1 8.4 116.0 20 20 A A H > S+ 0 0 4 -3,-0.3 4,-2.4 2,-0.2 5,-0.3 0.946 111.4 52.1 -63.9 -45.6 49.9 9.5 113.7 21 21 A L H X S+ 0 0 1 -4,-3.0 4,-2.6 1,-0.2 5,-0.2 0.951 111.7 48.3 -53.7 -49.3 47.5 10.8 111.2 22 22 A E H X S+ 0 0 105 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.863 114.4 41.7 -62.8 -41.4 45.8 12.8 114.0 23 23 A H H X S+ 0 0 82 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.747 113.5 55.3 -80.5 -18.4 48.9 14.3 115.5 24 24 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.3 5,-0.2 0.941 111.9 42.5 -72.3 -48.2 50.4 15.0 112.1 25 25 A Q H X S+ 0 0 29 -4,-2.6 4,-2.0 -5,-0.3 -2,-0.2 0.747 110.5 56.9 -69.3 -25.6 47.3 17.0 111.1 26 26 A E H X S+ 0 0 132 -4,-1.2 4,-0.6 -5,-0.2 -1,-0.2 0.911 111.4 43.7 -71.5 -40.6 47.2 18.7 114.4 27 27 A Y H >< S+ 0 0 62 -4,-1.6 3,-1.4 2,-0.2 -2,-0.2 0.973 118.8 40.9 -65.7 -56.7 50.8 19.9 113.8 28 28 A L H >< S+ 0 0 0 -4,-2.7 3,-2.1 1,-0.3 6,-0.2 0.858 105.8 68.2 -60.7 -34.7 50.2 20.9 110.2 29 29 A G H >< S+ 0 0 37 -4,-2.0 3,-0.5 1,-0.3 -1,-0.3 0.733 94.2 57.4 -58.2 -23.1 46.8 22.3 111.2 30 30 A D T << S+ 0 0 124 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.389 118.4 28.8 -91.5 5.4 48.5 25.1 113.2 31 31 A R T X S+ 0 0 71 -3,-2.1 3,-2.9 -4,-0.1 -1,-0.2 -0.054 75.8 143.8-150.6 31.8 50.5 26.4 110.2 32 32 A R G X + 0 0 63 -3,-0.5 3,-1.0 1,-0.3 -2,-0.1 0.766 69.5 57.0 -47.4 -36.2 48.1 25.5 107.4 33 33 A G G 3 S+ 0 0 48 1,-0.2 -1,-0.3 -4,-0.1 -4,-0.1 0.484 93.7 71.3 -79.8 0.6 48.9 28.6 105.5 34 34 A N G < S+ 0 0 71 -3,-2.9 -30,-0.9 -6,-0.2 -31,-0.8 0.400 100.6 35.2 -96.2 2.9 52.6 27.8 105.4 35 35 A F E < -a 4 0A 0 -3,-1.0 2,-0.5 -4,-0.2 -30,-0.2 -0.999 68.3-126.8-155.7 152.9 52.4 24.9 102.9 36 36 A Y E -a 5 0A 32 -32,-3.0 -30,-3.1 -2,-0.3 2,-0.5 -0.853 31.4-152.0 -97.0 134.6 50.6 23.6 99.9 37 37 A L E +a 6 0A 0 -2,-0.5 24,-2.7 -32,-0.2 25,-1.9 -0.934 17.2 176.1-113.8 132.0 49.2 20.1 100.5 38 38 A A E -ac 7 62A 0 -32,-3.0 -30,-2.3 -2,-0.5 2,-0.7 -0.999 20.2-149.4-135.4 130.2 48.7 17.6 97.8 39 39 A Y E -ac 8 63A 0 23,-1.5 25,-3.3 -2,-0.4 2,-0.9 -0.903 11.0-166.2 -98.6 116.4 47.6 14.0 98.2 40 40 A A E + c 0 64A 0 -32,-2.1 25,-0.2 -2,-0.7 2,-0.2 -0.830 27.0 160.4-105.3 92.2 49.2 11.9 95.4 41 41 A T - 0 0 1 23,-1.7 26,-2.5 -2,-0.9 27,-0.6 -0.589 51.3-133.7-110.4 171.4 47.2 8.7 95.7 42 42 A G S S+ 0 0 17 24,-0.3 23,-0.1 -2,-0.2 -1,-0.1 0.540 80.6 98.7 -96.4 -11.3 46.5 5.7 93.4 43 43 A R S S- 0 0 54 23,-0.1 23,-2.8 1,-0.1 -2,-0.2 -0.336 84.3-103.0 -73.8 156.0 42.8 6.0 94.3 44 44 A S > - 0 0 28 21,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.431 37.3-105.8 -74.6 155.8 40.2 7.7 92.1 45 45 A Y H > S+ 0 0 64 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.904 123.9 50.2 -49.0 -46.5 39.2 11.1 93.2 46 46 A H H > S+ 0 0 138 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.909 112.6 46.6 -60.1 -42.1 35.8 9.7 94.3 47 47 A S H > S+ 0 0 28 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.835 111.3 51.7 -69.6 -33.5 37.6 7.0 96.3 48 48 A A H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.919 108.7 51.6 -67.6 -44.3 40.0 9.5 97.8 49 49 A R H X S+ 0 0 53 -4,-2.8 4,-1.3 -5,-0.2 -2,-0.2 0.830 107.9 52.4 -61.1 -34.7 37.1 11.6 98.9 50 50 A E H >X S+ 0 0 84 -4,-1.5 4,-2.5 2,-0.2 3,-0.8 0.971 106.6 51.6 -66.9 -51.7 35.5 8.6 100.6 51 51 A L H 3X>S+ 0 0 3 -4,-2.0 4,-3.1 1,-0.3 5,-0.5 0.875 105.4 57.9 -50.9 -41.1 38.6 7.8 102.5 52 52 A Q H 3X>S+ 0 0 26 -4,-2.0 4,-1.8 1,-0.2 5,-0.6 0.883 107.8 45.5 -58.7 -39.6 38.7 11.4 103.7 53 53 A K H <<5S+ 0 0 136 -4,-1.3 -1,-0.2 -3,-0.8 -2,-0.2 0.923 114.7 50.6 -68.4 -42.6 35.2 11.0 105.2 54 54 A Q H <5S+ 0 0 146 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.959 129.4 15.1 -59.6 -58.3 36.3 7.7 106.7 55 55 A V H <5S- 0 0 21 -4,-3.1 -3,-0.2 -5,-0.1 -1,-0.2 0.532 104.4-113.8 -98.7 -8.4 39.5 8.8 108.4 56 56 A G T << - 0 0 37 -4,-1.8 -3,-0.2 -5,-0.5 2,-0.2 0.961 36.9-165.0 76.6 53.1 39.0 12.6 108.4 57 57 A L < - 0 0 6 -5,-0.6 -1,-0.1 -6,-0.1 2,-0.1 -0.477 26.6-110.6 -70.3 139.2 41.8 13.7 106.0 58 58 A M - 0 0 28 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.0 -0.443 44.1 -91.9 -69.6 145.9 42.5 17.4 106.2 59 59 A E - 0 0 92 -2,-0.1 -1,-0.1 1,-0.1 2,-0.1 -0.406 45.8-150.0 -62.2 122.9 41.5 19.2 103.0 60 60 A P - 0 0 8 0, 0.0 -22,-0.2 0, 0.0 3,-0.1 -0.381 18.6-125.9 -88.4 170.3 44.4 19.4 100.6 61 61 A D S S+ 0 0 35 -24,-2.7 2,-0.3 1,-0.2 -23,-0.2 0.872 93.8 13.2 -82.5 -39.7 45.1 22.1 98.0 62 62 A Y E -c 38 0A 29 -25,-1.9 -23,-1.5 11,-0.1 2,-0.5 -0.932 65.5-142.6-134.8 157.8 45.3 19.6 95.2 63 63 A W E -cD 39 72A 5 9,-1.6 9,-2.5 -2,-0.3 2,-1.0 -0.986 6.7-166.5-121.2 117.1 44.5 16.0 94.6 64 64 A L E +cD 40 71A 0 -25,-3.3 -23,-1.7 -2,-0.5 3,-0.3 -0.822 30.8 179.1-102.9 90.2 46.9 14.0 92.5 65 65 A T E >>> + D 0 70A 0 5,-2.6 5,-1.9 -2,-1.0 4,-1.1 -0.424 46.8 26.0 -94.6 168.5 44.6 11.0 92.0 66 66 A A G >45S- 0 0 3 -23,-2.8 3,-1.2 1,-0.3 -24,-0.3 0.915 136.4 -51.2 47.9 51.5 44.9 7.7 90.1 67 67 A V G 345S- 0 0 0 -26,-2.5 -1,-0.3 -3,-0.3 -25,-0.2 0.824 109.8 -50.4 58.4 35.1 48.7 7.8 90.3 68 68 A G G <45S+ 0 0 0 -27,-0.6 -1,-0.3 -3,-0.6 -2,-0.2 0.599 112.5 115.5 82.2 11.3 48.8 11.3 88.9 69 69 A S T <<5S+ 0 0 1 -3,-1.2 2,-0.4 -4,-1.1 -3,-0.2 0.674 80.1 38.0 -85.5 -16.4 46.6 10.6 85.9 70 70 A E E - E 0 76A 35 3,-2.9 3,-0.9 -2,-0.5 -11,-0.1 -0.455 48.7 -97.0 -92.6 173.4 42.2 21.8 91.7 74 74 A P T 3 S+ 0 0 122 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.934 129.3 54.9 -57.9 -42.1 39.4 23.1 94.0 75 75 A E T 3 S- 0 0 110 1,-0.2 2,-0.3 -3,-0.0 -3,-0.0 0.721 123.0-102.0 -62.0 -23.0 37.6 24.3 90.9 76 76 A G E < +E 73 0A 24 -3,-0.9 -3,-2.9 2,-0.0 -1,-0.2 -0.892 68.8 5.4 135.9-165.8 37.8 20.8 89.5 77 77 A L E -E 72 0A 64 -2,-0.3 2,-1.1 -5,-0.2 -5,-0.2 -0.206 67.1-118.2 -56.4 140.0 39.7 18.5 87.1 78 78 A D > - 0 0 16 -7,-2.5 4,-2.1 1,-0.2 -7,-0.3 -0.714 27.5-171.7 -83.8 100.9 42.8 20.1 85.4 79 79 A Q H > S+ 0 0 106 -2,-1.1 4,-1.9 1,-0.2 -1,-0.2 0.746 82.6 59.0 -67.1 -22.9 41.8 19.9 81.7 80 80 A H H > S+ 0 0 111 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.931 106.9 46.1 -69.7 -45.1 45.2 21.0 80.7 81 81 A W H > S+ 0 0 4 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.922 112.1 52.3 -61.3 -45.4 46.8 18.0 82.4 82 82 A A H X S+ 0 0 2 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.868 112.1 44.5 -60.3 -39.3 44.2 15.8 80.8 83 83 A D H X S+ 0 0 88 -4,-1.9 4,-0.8 2,-0.2 -1,-0.2 0.808 112.0 54.3 -74.8 -28.9 44.9 17.1 77.4 84 84 A Y H < S+ 0 0 85 -4,-2.0 3,-0.4 1,-0.2 -2,-0.2 0.883 111.2 43.7 -70.9 -39.8 48.6 16.8 78.0 85 85 A L H < S+ 0 0 1 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.786 104.9 66.3 -75.7 -26.8 48.3 13.1 79.0 86 86 A S H >< S+ 0 0 49 -4,-1.4 3,-1.8 -5,-0.2 -1,-0.2 0.756 74.8 106.7 -66.2 -27.8 46.0 12.4 76.1 87 87 A E T 3< S- 0 0 108 -4,-0.8 3,-0.1 -3,-0.4 -3,-0.0 -0.334 99.0 -8.7 -61.1 126.8 48.7 13.1 73.4 88 88 A H T 3 S+ 0 0 138 1,-0.2 2,-0.6 -2,-0.1 -1,-0.3 0.571 100.4 137.2 65.1 9.1 50.0 10.0 71.7 89 89 A W < - 0 0 26 -3,-1.8 2,-0.6 53,-0.1 -1,-0.2 -0.783 30.7-179.5 -93.6 119.2 48.0 7.9 74.3 90 90 A Q > + 0 0 107 -2,-0.6 4,-1.6 1,-0.2 5,-0.2 -0.829 1.9 178.1-116.7 90.2 46.2 4.9 72.8 91 91 A R H > S+ 0 0 45 -2,-0.6 4,-2.5 1,-0.2 5,-0.2 0.907 76.2 55.9 -58.8 -44.2 44.5 3.3 75.8 92 92 A D H > S+ 0 0 120 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.872 106.1 48.1 -58.0 -44.7 42.8 0.6 73.7 93 93 A I H > S+ 0 0 84 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.972 113.6 47.5 -61.8 -53.1 45.9 -0.8 72.1 94 94 A L H X S+ 0 0 0 -4,-1.6 4,-2.7 1,-0.2 -2,-0.2 0.892 112.6 49.4 -54.2 -44.9 47.7 -1.0 75.4 95 95 A Q H X S+ 0 0 58 -4,-2.5 4,-3.4 2,-0.2 5,-0.2 0.878 105.2 57.4 -64.5 -38.9 44.7 -2.7 77.1 96 96 A A H X S+ 0 0 64 -4,-2.2 4,-1.0 -5,-0.2 -1,-0.2 0.932 111.4 43.9 -56.9 -45.4 44.4 -5.2 74.3 97 97 A I H >< S+ 0 0 38 -4,-2.0 3,-0.9 2,-0.2 4,-0.5 0.960 114.9 47.0 -63.6 -54.4 48.0 -6.3 75.0 98 98 A A H >< S+ 0 0 0 -4,-2.7 3,-2.0 1,-0.3 6,-0.2 0.917 107.3 56.9 -55.0 -47.8 47.6 -6.3 78.8 99 99 A D H 3< S+ 0 0 79 -4,-3.4 -1,-0.3 1,-0.3 -2,-0.2 0.803 95.5 69.6 -54.7 -29.2 44.4 -8.3 78.6 100 100 A G T << S+ 0 0 62 -4,-1.0 2,-0.5 -3,-0.9 -1,-0.3 0.746 77.2 93.3 -63.4 -24.7 46.3 -10.9 76.7 101 101 A F X - 0 0 22 -3,-2.0 3,-1.0 -4,-0.5 28,-0.0 -0.592 64.3-154.7 -76.8 122.8 48.3 -11.9 79.8 102 102 A E T 3 S+ 0 0 108 -2,-0.5 -1,-0.2 1,-0.2 -2,-0.0 0.788 94.5 58.9 -65.0 -26.9 46.7 -14.8 81.6 103 103 A A T 3 S+ 0 0 20 18,-0.1 19,-2.3 23,-0.1 2,-0.4 0.687 94.3 78.5 -76.7 -18.8 48.4 -13.6 84.8 104 104 A L E < -I 121 0C 13 -3,-1.0 17,-0.2 -6,-0.2 15,-0.0 -0.786 58.3-171.8 -97.7 135.3 46.7 -10.2 84.7 105 105 A K E -I 120 0C 49 15,-2.0 15,-2.4 -2,-0.4 -3,-0.0 -0.983 31.8-108.8-123.1 133.0 43.1 -9.7 85.8 106 106 A P E -I 119 0C 90 0, 0.0 13,-0.3 0, 0.0 2,-0.1 -0.274 31.3-128.5 -59.3 142.2 41.4 -6.3 85.2 107 107 A Q - 0 0 22 11,-2.0 11,-0.1 1,-0.2 5,-0.1 -0.462 50.0 -61.7 -85.3 166.4 40.7 -4.3 88.3 108 108 A S > - 0 0 68 1,-0.1 3,-2.5 -2,-0.1 -1,-0.2 -0.086 51.2-113.6 -46.6 145.1 37.2 -3.0 89.0 109 109 A P G > S+ 0 0 104 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.775 116.2 63.0 -53.6 -27.9 36.0 -0.6 86.3 110 110 A L G 3 S+ 0 0 137 1,-0.3 -63,-0.2 -66,-0.0 -2,-0.1 0.615 94.1 60.2 -75.4 -11.9 36.0 2.2 88.8 111 111 A E G < S+ 0 0 54 -3,-2.5 2,-0.3 7,-0.1 -1,-0.3 0.365 96.8 83.5 -92.6 2.9 39.8 1.9 89.2 112 112 A Q < + 0 0 42 -3,-1.3 5,-0.2 -4,-0.2 -46,-0.0 -0.757 51.2 164.6-107.2 151.9 40.1 2.7 85.5 113 113 A N B > -L 116 0D 19 3,-1.9 3,-2.1 -2,-0.3 -2,-0.0 -0.949 55.5 -81.9-153.8 169.9 40.1 6.0 83.8 114 114 A P T 3 S+ 0 0 70 0, 0.0 -23,-0.1 0, 0.0 3,-0.0 0.807 130.6 31.7 -46.3 -33.7 41.1 7.4 80.3 115 115 A W T 3 S+ 0 0 25 1,-0.1 2,-0.4 -46,-0.1 46,-0.0 0.194 112.0 69.3-113.2 15.7 44.8 7.5 81.3 116 116 A K B < -L 113 0D 5 -3,-2.1 -3,-1.9 41,-0.2 2,-0.6 -0.972 48.5-178.0-141.2 122.4 45.0 4.5 83.7 117 117 A I E - 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0 0 9 -5,-2.7 -1,-0.2 -6,-0.2 -2,-0.1 -0.861 39.2-129.7-102.6 136.1 57.6 25.8 94.2 177 177 A E > - 0 0 36 -2,-0.4 3,-1.4 -3,-0.1 4,-0.3 -0.445 18.6-115.5 -84.6 158.5 61.2 24.6 94.0 178 178 A P G > S+ 0 0 43 0, 0.0 21,-1.1 0, 0.0 3,-0.9 0.816 117.8 57.9 -60.4 -31.8 62.3 21.0 94.5 179 179 A S G 3 S+ 0 0 68 1,-0.2 19,-0.1 19,-0.2 -3,-0.0 0.653 106.1 50.2 -73.8 -14.6 64.2 22.0 97.7 180 180 A Q G < S+ 0 0 61 -3,-1.4 -175,-2.4 -176,-0.1 2,-0.4 0.413 98.6 90.5 -99.3 -2.8 60.8 23.3 99.0 181 181 A T E < -b 5 0A 0 -3,-0.9 18,-1.6 -4,-0.3 2,-0.4 -0.770 52.0-171.0-103.2 142.4 59.1 20.0 98.1 182 182 A L E -bf 6 199A 0 -177,-2.9 -175,-3.4 -2,-0.4 2,-0.4 -0.988 4.5-169.2-130.5 120.2 58.6 16.9 100.3 183 183 A V E -bf 7 200A 0 16,-2.4 18,-2.5 -2,-0.4 2,-0.5 -0.928 3.9-162.9-110.9 134.1 57.2 13.7 98.8 184 184 A C E +bf 8 201A 0 -177,-2.4 -175,-2.0 -2,-0.4 2,-0.3 -0.968 18.8 161.9-120.2 123.7 56.1 10.8 101.0 185 185 A G E - f 0 202A 0 16,-1.9 18,-1.8 -2,-0.5 21,-0.1 -0.838 29.0-175.4-135.6 173.8 55.6 7.3 99.6 186 186 A D + 0 0 3 -2,-0.3 21,-4.6 16,-0.2 24,-0.3 0.453 67.1 32.1-144.0 -17.8 55.4 3.7 100.6 187 187 A S S > S- 0 0 5 19,-0.2 3,-1.5 23,-0.1 4,-0.3 -0.691 91.9 -77.7-135.4-170.5 55.1 1.5 97.5 188 188 A G G > S+ 0 0 7 1,-0.3 3,-0.7 -2,-0.2 4,-0.3 0.698 119.5 64.4 -65.0 -21.4 56.1 1.1 93.9 189 189 A N G 3 S+ 0 0 16 1,-0.2 -26,-0.4 2,-0.1 -1,-0.3 0.256 100.1 56.1 -86.1 13.0 53.5 3.6 92.7 190 190 A D G X> S+ 0 0 0 -3,-1.5 3,-1.3 2,-0.1 4,-1.3 0.425 76.7 92.9-117.2 -10.7 55.5 6.3 94.6 191 191 A I H <> S+ 0 0 35 -3,-0.7 4,-1.2 -4,-0.3 5,-0.2 0.866 78.8 62.9 -53.6 -37.7 58.8 5.6 92.9 192 192 A G H 34 S+ 0 0 8 -4,-0.3 3,-0.3 1,-0.2 4,-0.3 0.859 100.0 54.1 -56.6 -35.8 57.9 8.4 90.4 193 193 A L H X4 S+ 0 0 0 -3,-1.3 3,-1.1 1,-0.2 5,-0.4 0.915 108.9 46.9 -64.4 -43.8 57.9 10.8 93.4 194 194 A F H 3< S+ 0 0 0 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.601 100.0 65.9 -76.1 -11.8 61.4 9.8 94.4 195 195 A E T 3< S+ 0 0 121 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.589 90.7 89.2 -81.4 -10.0 62.7 10.1 90.9 196 196 A T S < S- 0 0 1 -3,-1.1 -13,-0.1 -4,-0.3 -31,-0.1 -0.447 91.8-119.2 -81.2 156.3 61.9 13.8 91.3 197 197 A S S S+ 0 0 62 -2,-0.1 2,-0.2 2,-0.0 -16,-0.1 0.128 79.1 114.3 -86.6 25.9 64.5 16.1 92.7 198 198 A A S S- 0 0 0 -5,-0.4 -19,-0.2 1,-0.1 -16,-0.2 -0.637 82.0 -94.5 -92.7 152.4 62.3 16.9 95.7 199 199 A R E -f 182 0A 62 -18,-1.6 -16,-2.4 -21,-1.1 2,-0.3 -0.421 54.0-167.4 -63.3 138.3 63.1 15.9 99.2 200 200 A G E -fg 183 222A 0 21,-2.2 23,-2.3 -18,-0.2 2,-0.4 -0.946 20.5-155.5-135.2 156.5 61.5 12.6 99.9 201 201 A V E -fg 184 223A 0 -18,-2.5 -16,-1.9 -2,-0.3 2,-0.6 -0.997 7.5-153.0-132.1 131.9 60.7 10.3 102.8 202 202 A I E -fg 185 224A 0 21,-2.9 23,-2.0 -2,-0.4 -16,-0.2 -0.915 27.3-127.4-103.5 115.3 60.1 6.5 102.6 203 203 A V > - 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0 0 32 -4,-1.2 2,-0.1 -5,-0.6 -4,-0.0 -0.207 34.5-175.3 -48.6 115.2 68.4 6.3 97.0 219 219 A D > - 0 0 36 -2,-0.0 3,-1.3 4,-0.0 -1,-0.1 -0.375 43.3 -88.1-103.2-175.7 70.3 9.7 97.0 220 220 A S T 3 S+ 0 0 125 1,-0.3 -2,-0.1 -2,-0.1 -21,-0.0 0.722 124.9 60.7 -68.4 -20.6 71.0 12.1 99.9 221 221 A R T 3 S+ 0 0 63 -27,-0.1 -21,-2.2 -22,-0.1 2,-0.4 0.619 91.8 85.6 -79.7 -13.8 67.7 13.9 99.3 222 222 A H E < -g 200 0A 8 -3,-1.3 2,-0.5 -23,-0.2 -21,-0.2 -0.769 64.5-163.8 -93.3 130.9 65.9 10.6 100.1 223 223 A Y E -g 201 0A 47 -23,-2.3 -21,-2.9 -2,-0.4 2,-0.8 -0.959 13.8-148.5-121.5 129.2 65.3 9.8 103.7 224 224 A R E -g 202 0A 61 -2,-0.5 -21,-0.1 -23,-0.2 -20,-0.1 -0.846 26.9-144.6 -94.7 107.4 64.4 6.4 105.2 225 225 A A - 0 0 0 -23,-2.0 7,-0.1 -2,-0.8 8,-0.0 -0.337 16.3-151.8 -73.7 153.4 62.1 7.1 108.1 226 226 A Q S S+ 0 0 158 5,-0.1 2,-0.1 6,-0.1 -1,-0.1 0.721 81.6 76.0 -91.0 -29.5 62.1 5.1 111.3 227 227 A S S S- 0 0 49 4,-0.2 -23,-2.3 5,-0.1 2,-0.2 -0.469 76.9-138.6 -81.1 154.2 58.5 6.0 111.9 228 228 A S > - 0 0 39 -25,-0.2 3,-1.3 -24,-0.2 4,-0.3 -0.683 61.1 -4.7-107.9 164.8 55.7 4.4 109.9 229 229 A H T >> S- 0 0 33 -217,-0.6 3,-2.4 1,-0.2 4,-0.6 -0.062 130.7 -10.7 52.6-150.2 52.6 6.0 108.4 230 230 A A H >> S+ 0 0 0 -216,-0.6 4,-1.3 1,-0.3 3,-0.5 0.703 126.7 72.6 -52.9 -23.3 52.0 9.7 109.1 231 231 A G H <> S+ 0 0 11 -3,-1.3 4,-2.0 1,-0.2 -1,-0.3 0.785 89.9 60.0 -64.3 -25.6 54.7 9.7 111.7 232 232 A A H <> S+ 0 0 0 -3,-2.4 4,-2.7 -4,-0.3 -1,-0.2 0.841 99.6 55.9 -69.7 -34.1 57.3 9.5 108.9 233 233 A I H S+ 0 0 4 -4,-2.5 5,-2.7 1,-0.2 -1,-0.2 0.870 114.3 42.3 -58.5 -38.0 59.6 17.6 108.1 238 238 A A H ><5S+ 0 0 74 -4,-2.2 3,-0.9 3,-0.2 -2,-0.2 0.918 114.7 53.0 -73.6 -43.4 61.9 17.7 111.2 239 239 A H H 3<5S+ 0 0 97 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.938 115.0 36.5 -56.5 -56.3 64.7 16.1 109.2 240 240 A F T 3<5S- 0 0 40 -4,-3.3 -1,-0.3 -5,-0.1 -2,-0.2 0.353 111.5-122.2 -81.4 7.5 64.8 18.4 106.2 241 241 A D T < 5 + 0 0 108 -3,-0.9 3,-0.4 -5,-0.3 2,-0.3 0.905 49.9 169.7 52.7 49.0 64.0 21.2 108.6 242 242 A F < + 0 0 22 -5,-2.7 -1,-0.2 1,-0.2 -238,-0.1 -0.642 59.8 20.9 -88.7 149.2 60.8 22.2 106.8 243 243 A L 0 0 7 -2,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.954 360.0 360.0 58.5 51.1 58.4 24.7 108.4 244 244 A S 0 0 131 -3,-0.4 -1,-0.2 -6,-0.0 -2,-0.1 -0.075 360.0 360.0 -59.3 360.0 61.2 26.0 110.6