==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 21-JAN-05 1YMQ . COMPND 2 MOLECULE: SUGAR-PHOSPHATE PHOSPHATASE BT4131; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR Z.LU,D.DUNAWAY-MARIANO,K.N.ALLEN . 260 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11448.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 190 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 . 14 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 25.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 4.6 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 1 2 2 1 0 0 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 1 3 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 . 1 0 2 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 T 0 0 75 0, 0.0 204,-0.2 0, 0.0 203,-0.1 0.000 360.0 360.0 360.0 133.3 5.2 5.7 59.2 2 3 A K + 0 0 104 202,-3.2 35,-2.9 1,-0.3 2,-0.4 0.538 360.0 46.6-122.2 -21.1 4.4 8.6 56.9 3 4 A A E -ab 37 205A 0 201,-1.9 203,-1.9 33,-0.2 2,-0.4 -0.993 60.3-164.4-132.3 133.5 6.0 7.7 53.6 4 5 A L E -ab 38 206A 0 33,-3.0 35,-3.1 -2,-0.4 2,-0.5 -0.917 4.9-160.7-115.1 136.0 5.9 4.4 51.7 5 6 A F E -ab 39 207A 0 201,-2.6 203,-2.3 -2,-0.4 2,-0.5 -0.966 9.8-170.2-123.1 121.3 8.2 3.6 48.9 6 7 A F E -ab 40 208A 0 33,-2.9 35,-2.6 -2,-0.5 203,-0.2 -0.916 17.6-145.2-117.3 128.9 7.3 0.8 46.4 7 8 A D - 0 0 7 201,-1.9 5,-0.5 -2,-0.5 35,-0.2 -0.418 21.4-142.4 -72.3 158.9 9.4 -0.8 43.7 8 9 A I S >>>S+ 0 0 0 33,-0.2 5,-2.3 3,-0.2 4,-2.3 0.933 73.2 61.6 -90.5 -71.8 7.2 -1.6 40.7 9 10 A D B 345S+h 13 0B 18 1,-0.3 201,-0.2 2,-0.2 5,-0.2 -0.400 123.8 0.0 -68.2 114.4 8.1 -4.9 39.1 10 11 A G T 345S+ 0 0 0 3,-3.2 -1,-0.3 -2,-0.4 235,-0.2 0.365 133.4 58.8 90.3 -4.3 7.6 -7.9 41.4 11 12 A T T <45S+ 0 0 0 -3,-1.9 -3,-0.2 2,-0.3 -2,-0.2 0.697 126.1 4.4-121.2 -54.5 6.4 -5.6 44.3 12 13 A L T <5S+ 0 0 0 -4,-2.3 2,-0.5 -5,-0.5 -3,-0.2 0.832 133.0 47.4 -93.2 -48.3 3.3 -3.8 43.0 13 14 A V B - 0 0 2 5,-2.4 4,-1.6 -2,-0.5 5,-0.1 -0.512 2.3-151.0 -76.1 137.7 3.2 -9.3 39.3 15 16 A F T 4 S+ 0 0 55 -2,-0.2 -1,-0.2 2,-0.2 -6,-0.0 0.769 100.1 53.9 -74.1 -30.1 5.7 -10.7 36.7 16 17 A E T 4 S+ 0 0 170 1,-0.1 -1,-0.1 3,-0.1 -3,-0.0 0.937 126.8 14.8 -71.8 -45.3 3.3 -13.6 36.5 17 18 A T T 4 S- 0 0 74 2,-0.2 -2,-0.2 0, 0.0 -1,-0.1 0.553 89.0-132.5-105.1 -15.1 0.0 -11.7 35.7 18 19 A H S < S+ 0 0 85 -4,-1.6 2,-0.3 1,-0.2 -3,-0.1 0.715 73.0 105.3 67.1 23.1 1.4 -8.4 34.8 19 20 A R S S- 0 0 137 -5,-0.1 -5,-2.4 33,-0.0 -1,-0.2 -0.888 76.9-112.3-130.7 162.2 -1.2 -6.8 37.1 20 21 A I - 0 0 7 -2,-0.3 -7,-0.2 -7,-0.2 -8,-0.1 -0.806 45.9-110.8 -91.8 128.3 -1.3 -5.1 40.5 21 22 A P >> - 0 0 22 0, 0.0 4,-1.8 0, 0.0 3,-0.7 -0.278 20.2-122.7 -55.4 146.7 -3.3 -7.4 42.9 22 23 A S H 3> S+ 0 0 88 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.863 112.2 57.1 -59.6 -36.8 -6.7 -6.0 44.0 23 24 A S H 3> S+ 0 0 19 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.822 104.2 53.9 -67.6 -24.0 -5.6 -6.2 47.7 24 25 A T H <> S+ 0 0 0 -3,-0.7 4,-2.4 2,-0.2 5,-0.2 0.944 108.3 47.4 -74.7 -44.7 -2.6 -4.0 46.9 25 26 A I H X S+ 0 0 12 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.938 114.3 48.8 -56.9 -45.0 -4.9 -1.4 45.3 26 27 A E H X S+ 0 0 133 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.885 110.5 50.0 -63.7 -40.3 -7.2 -1.6 48.3 27 28 A A H X S+ 0 0 3 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.886 111.5 47.6 -65.1 -42.0 -4.3 -1.3 50.8 28 29 A L H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.868 110.3 53.0 -67.8 -36.8 -2.8 1.8 49.0 29 30 A E H X S+ 0 0 65 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.927 111.7 46.6 -63.8 -42.6 -6.3 3.4 48.9 30 31 A A H X S+ 0 0 31 -4,-2.2 4,-1.2 -5,-0.2 -2,-0.2 0.928 114.3 45.9 -65.0 -42.7 -6.6 2.8 52.7 31 32 A A H <>S+ 0 0 0 -4,-2.4 5,-2.3 1,-0.2 3,-0.4 0.918 110.8 53.9 -66.9 -42.1 -3.1 4.2 53.4 32 33 A H H ><5S+ 0 0 75 -4,-3.0 3,-1.9 1,-0.2 -1,-0.2 0.932 106.4 51.5 -55.3 -47.8 -3.7 7.2 51.1 33 34 A A H 3<5S+ 0 0 83 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.767 106.5 56.0 -61.3 -29.1 -6.9 8.1 53.1 34 35 A K T 3<5S- 0 0 126 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.393 124.6-102.0 -83.3 0.4 -5.0 8.0 56.3 35 36 A G T < 5S+ 0 0 44 -3,-1.9 -3,-0.2 1,-0.3 2,-0.2 0.523 70.2 146.6 96.7 0.7 -2.5 10.5 55.1 36 37 A L < - 0 0 15 -5,-2.3 2,-0.4 223,-0.1 -1,-0.3 -0.511 46.5-128.5 -74.1 141.2 0.5 8.3 54.1 37 38 A K E -a 3 0A 74 -35,-2.9 -33,-3.0 -2,-0.2 2,-0.5 -0.762 20.7-150.0 -90.4 139.8 2.4 9.5 51.1 38 39 A I E -a 4 0A 0 -2,-0.4 24,-2.8 22,-0.3 25,-0.8 -0.951 16.2-177.0-117.6 122.0 3.0 6.9 48.5 39 40 A F E -ac 5 63A 0 -35,-3.1 -33,-2.9 -2,-0.5 2,-0.3 -0.903 22.3-135.7-124.1 144.7 6.0 6.9 46.3 40 41 A I E -ac 6 64A 0 23,-2.0 25,-2.4 -2,-0.4 2,-0.4 -0.773 17.5-173.4 -91.1 142.0 7.2 4.8 43.4 41 42 A A E + c 0 65A 0 -35,-2.6 2,-0.3 -2,-0.3 -33,-0.2 -0.841 24.0 156.1-139.2 96.5 10.9 3.8 43.5 42 43 A T - 0 0 2 23,-2.8 26,-2.2 -2,-0.4 27,-0.4 -0.851 53.1-139.7-128.0 153.7 11.8 2.0 40.2 43 44 A G S S+ 0 0 5 -2,-0.3 23,-0.1 24,-0.3 -1,-0.1 0.571 80.1 103.8 -82.3 -14.5 14.8 1.3 38.1 44 45 A R S S- 0 0 17 23,-0.1 23,-1.6 22,-0.1 -2,-0.2 -0.449 78.7-120.0 -69.2 144.1 12.6 2.0 35.1 45 46 A P > - 0 0 8 0, 0.0 3,-1.9 0, 0.0 4,-0.4 -0.527 29.8-112.1 -74.9 149.5 12.9 5.4 33.3 46 47 A K G > S+ 0 0 127 1,-0.3 3,-1.7 2,-0.2 -2,-0.1 0.861 114.1 69.4 -48.4 -39.6 9.7 7.4 33.5 47 48 A A G 3 S+ 0 0 65 1,-0.3 -1,-0.3 63,-0.1 64,-0.1 0.771 105.0 38.0 -55.7 -29.1 9.4 6.9 29.7 48 49 A I G < S+ 0 0 7 -3,-1.9 2,-1.7 82,-0.1 -1,-0.3 0.273 77.1 117.7-108.8 14.1 8.6 3.2 30.1 49 50 A I < + 0 0 21 -3,-1.7 3,-0.1 -4,-0.4 -3,-0.0 -0.632 31.5 141.7 -78.9 92.4 6.5 3.3 33.3 50 51 A N + 0 0 74 -2,-1.7 -1,-0.2 78,-0.1 3,-0.2 0.224 50.1 67.2-118.7 10.3 3.5 1.9 31.4 51 52 A N S S+ 0 0 31 1,-0.1 3,-0.2 -3,-0.1 -1,-0.1 0.198 79.6 74.4-120.7 18.3 2.0 -0.5 34.0 52 53 A L >> + 0 0 0 -3,-0.1 4,-3.0 1,-0.1 3,-0.8 0.245 51.0 119.3-111.9 13.2 0.8 1.8 36.8 53 54 A S H 3> S+ 0 0 59 1,-0.3 4,-3.5 2,-0.2 5,-0.2 0.819 73.4 58.5 -53.9 -30.5 -2.4 3.3 35.2 54 55 A E H 3> S+ 0 0 48 2,-0.2 4,-0.8 1,-0.2 -1,-0.3 0.941 112.9 37.1 -65.8 -43.7 -4.6 1.9 37.9 55 56 A L H <4>S+ 0 0 0 -3,-0.8 5,-2.4 2,-0.2 3,-0.4 0.930 120.0 49.9 -70.7 -42.3 -2.7 3.7 40.7 56 57 A Q H ><5S+ 0 0 74 -4,-3.0 3,-2.3 1,-0.2 -2,-0.2 0.943 107.5 51.7 -62.2 -47.2 -2.2 6.8 38.4 57 58 A D H 3<5S+ 0 0 134 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.764 111.7 49.0 -62.0 -21.1 -5.9 7.0 37.5 58 59 A R T 3<5S- 0 0 136 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.410 109.0-130.3 -95.8 2.7 -6.7 6.9 41.2 59 60 A N T < 5 + 0 0 128 -3,-2.3 -3,-0.2 -4,-0.2 -2,-0.1 0.877 61.0 142.1 49.6 44.1 -4.2 9.6 41.7 60 61 A L < + 0 0 1 -5,-2.4 2,-0.6 -6,-0.1 -22,-0.3 0.578 39.8 90.3 -88.9 -10.4 -2.6 7.5 44.5 61 62 A I - 0 0 16 -6,-0.3 -22,-0.2 1,-0.1 3,-0.1 -0.807 47.6-176.6 -97.6 120.6 1.0 8.4 43.8 62 63 A D - 0 0 38 -24,-2.8 2,-0.3 -2,-0.6 -23,-0.2 0.566 67.6 -11.8 -86.1 -14.2 2.5 11.4 45.5 63 64 A G E -c 39 0A 0 -25,-0.8 -23,-2.0 11,-0.2 2,-0.4 -0.943 61.1-122.4-178.7 162.4 6.0 11.3 43.8 64 65 A Y E -cD 40 73A 33 9,-3.1 9,-2.4 -2,-0.3 2,-0.6 -0.965 8.2-169.1-127.9 132.6 8.3 9.2 41.7 65 66 A I E +cD 41 72A 0 -25,-2.4 -23,-2.8 -2,-0.4 2,-0.3 -0.984 30.6 173.5-112.4 115.4 11.8 7.9 42.1 66 67 A T E > > + D 0 71A 0 5,-2.5 5,-1.7 -2,-0.6 3,-1.2 -0.761 50.0 30.2-123.8 167.0 12.9 6.6 38.7 67 68 A M G > 5S- 0 0 5 -23,-1.6 3,-2.1 1,-0.3 -24,-0.3 0.918 131.7 -60.9 49.7 48.3 16.1 5.3 37.2 68 69 A N G 3 5S- 0 0 6 -26,-2.2 -1,-0.3 1,-0.3 121,-0.2 0.764 107.3 -43.6 54.1 31.2 17.2 4.0 40.5 69 70 A G G < 5S+ 0 0 0 -3,-1.2 -1,-0.3 -27,-0.4 3,-0.2 0.250 115.8 106.8 100.2 -8.3 17.2 7.4 42.1 70 71 A A T < 5S+ 0 0 0 -3,-2.1 12,-2.2 -4,-0.4 2,-0.3 0.547 86.0 37.0 -81.5 -4.6 18.9 9.3 39.3 71 72 A Y E S- E 0 77A 31 3,-2.5 3,-2.1 -2,-0.3 2,-0.2 -0.987 77.3 -40.8-128.4 117.2 6.9 15.3 42.4 75 76 A G T 3 S- 0 0 61 -2,-0.5 -11,-0.1 1,-0.3 -12,-0.0 -0.459 125.7 -25.9 61.2-127.9 4.0 16.3 40.1 76 77 A E T 3 S+ 0 0 200 -2,-0.2 2,-0.6 -3,-0.1 -1,-0.3 0.499 117.1 101.0 -94.2 -4.9 5.7 18.3 37.3 77 78 A E E < -E 74 0A 115 -3,-2.1 -3,-2.5 2,-0.0 2,-0.7 -0.718 64.1-146.5 -89.4 120.7 8.6 19.4 39.4 78 79 A V E +E 73 0A 58 -2,-0.6 -5,-0.3 -5,-0.2 3,-0.1 -0.751 19.2 179.0 -79.1 119.5 11.9 17.6 38.9 79 80 A I E + 0 0 20 -7,-1.7 2,-0.3 -2,-0.7 -6,-0.2 0.635 65.0 9.0 -98.4 -16.7 13.5 17.6 42.3 80 81 A Y E +E 72 0A 53 -8,-1.5 -8,-3.2 2,-0.0 -1,-0.3 -0.900 59.6 161.1-163.9 132.9 16.7 15.7 41.5 81 82 A K E -E 71 0A 96 -2,-0.3 2,-0.2 -10,-0.2 -10,-0.2 -0.935 11.7-175.5-152.9 135.2 18.4 14.4 38.3 82 83 A S - 0 0 20 -12,-2.2 2,-0.3 -2,-0.3 -2,-0.0 -0.714 12.8-140.9-125.3 177.8 22.0 13.3 37.7 83 84 A A - 0 0 38 -2,-0.2 64,-0.2 98,-0.0 3,-0.1 -0.983 23.4-110.9-140.6 148.6 24.2 12.2 34.9 84 85 A I - 0 0 4 62,-3.0 62,-0.4 -2,-0.3 5,-0.1 -0.542 47.2 -90.6 -77.8 140.2 26.9 9.6 34.6 85 86 A P >> - 0 0 53 0, 0.0 4,-2.2 0, 0.0 3,-1.7 -0.289 37.4-129.6 -51.3 127.5 30.5 10.7 34.1 86 87 A Q H 3> S+ 0 0 74 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.837 105.5 57.1 -53.0 -36.0 31.0 10.9 30.4 87 88 A E H 3> S+ 0 0 169 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.819 108.5 46.7 -65.6 -29.3 34.1 8.8 30.5 88 89 A E H <> S+ 0 0 18 -3,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.853 109.4 53.1 -81.7 -32.1 32.3 6.0 32.1 89 90 A V H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.956 112.4 46.2 -63.0 -47.7 29.4 6.3 29.7 90 91 A K H X S+ 0 0 75 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.894 111.4 52.3 -59.4 -43.9 32.1 6.0 26.9 91 92 A A H X S+ 0 0 24 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.915 110.2 46.4 -61.4 -44.5 33.8 3.0 28.6 92 93 A M H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.899 112.7 51.1 -65.7 -38.3 30.5 1.1 29.0 93 94 A A H X S+ 0 0 3 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.913 110.8 48.0 -61.7 -44.8 29.7 1.8 25.3 94 95 A A H X S+ 0 0 44 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.891 112.9 49.6 -62.3 -44.7 33.1 0.6 24.2 95 96 A F H X S+ 0 0 12 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.931 112.3 44.8 -62.2 -51.7 32.7 -2.6 26.4 96 97 A C H X>S+ 0 0 0 -4,-2.8 5,-2.3 2,-0.2 4,-1.3 0.897 113.8 52.9 -61.6 -36.6 29.2 -3.4 25.0 97 98 A E H ><5S+ 0 0 98 -4,-2.4 3,-0.8 -5,-0.2 -2,-0.2 0.974 111.8 43.6 -62.5 -55.7 30.5 -2.7 21.5 98 99 A K H 3<5S+ 0 0 170 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.891 117.2 47.1 -54.5 -45.7 33.5 -5.1 21.9 99 100 A K H 3<5S- 0 0 80 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.626 106.7-126.0 -73.1 -16.7 31.4 -7.8 23.6 100 101 A G T <<5 + 0 0 52 -4,-1.3 -3,-0.2 -3,-0.8 -4,-0.1 0.884 62.5 137.2 70.9 36.3 28.6 -7.5 21.0 101 102 A V < - 0 0 16 -5,-2.3 -1,-0.2 -6,-0.1 52,-0.1 -0.863 54.4-108.2-116.3 151.8 25.9 -6.9 23.6 102 103 A P - 0 0 2 0, 0.0 50,-2.4 0, 0.0 2,-0.3 -0.263 31.7-173.8 -69.9 162.1 22.9 -4.5 23.6 103 104 A C E -IJ 114 151C 0 11,-1.7 11,-2.7 48,-0.3 2,-0.4 -0.892 15.7-144.8-159.8 129.3 22.8 -1.4 25.9 104 105 A I E -IJ 113 150C 4 46,-2.0 46,-2.8 -2,-0.3 2,-0.5 -0.754 11.6-160.8 -93.1 140.4 20.1 1.1 26.5 105 106 A F E -IJ 112 149C 0 7,-2.5 7,-1.8 -2,-0.4 2,-0.5 -0.984 7.7-160.3-122.8 118.8 21.1 4.7 27.1 106 107 A V E -IJ 111 148C 4 42,-3.2 41,-2.4 -2,-0.5 42,-1.5 -0.889 10.0-179.2-108.0 128.1 18.5 6.9 28.9 107 108 A E - 0 0 29 3,-3.4 3,-0.4 -2,-0.5 39,-0.1 -0.525 47.0 -95.6-108.1 176.4 18.6 10.7 28.7 108 109 A E S S+ 0 0 51 37,-0.4 38,-0.1 1,-0.2 3,-0.0 0.893 123.0 14.7 -62.6 -37.3 16.1 13.0 30.4 109 110 A H S S+ 0 0 172 1,-0.0 2,-0.3 -62,-0.0 -1,-0.2 0.045 125.8 50.9-126.8 25.2 14.0 13.3 27.2 110 111 A N - 0 0 74 -3,-0.4 -3,-3.4 2,-0.0 2,-0.4 -0.987 51.4-165.5-160.2 150.8 15.2 10.4 25.1 111 112 A I E +I 106 0C 16 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.987 17.1 172.0-142.4 135.5 15.8 6.8 25.3 112 113 A S E -I 105 0C 3 -7,-1.8 -7,-2.5 -2,-0.4 2,-0.4 -0.925 20.3-142.1-139.2 161.9 17.8 4.8 22.8 113 114 A V E -Ik 104 135C 0 21,-2.0 23,-2.0 -2,-0.3 2,-0.5 -0.995 8.1-149.4-133.2 137.3 19.2 1.3 22.4 114 115 A C E S-I 103 0C 0 -11,-2.7 -11,-1.7 -2,-0.4 23,-0.1 -0.920 78.2 -8.7-108.5 127.7 22.5 0.2 20.9 115 116 A Q S S- 0 0 77 -2,-0.5 -1,-0.2 21,-0.4 -11,-0.1 0.914 81.0-160.5 54.0 53.8 22.7 -3.2 19.1 116 117 A P + 0 0 52 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.281 14.5 177.3 -62.3 147.6 19.3 -4.5 20.1 117 118 A N >> - 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M 0 171C 10 -8,-2.8 -8,-2.5 -2,-0.3 2,-0.4 -0.904 24.8-159.6-106.6 132.7 21.1 -0.6 35.5 180 181 A V E +LM 149 170C 1 -31,-3.2 -31,-2.1 -2,-0.5 2,-0.3 -0.937 17.7 163.4-118.4 134.0 24.1 1.6 35.8 181 182 A T E - M 0 169C 3 -12,-1.7 -12,-2.8 -2,-0.4 3,-0.1 -0.838 39.6 -74.3-140.4 170.5 23.9 5.1 37.4 182 183 A A S > S- 0 0 11 -35,-0.5 3,-2.8 -2,-0.3 -14,-0.1 -0.190 70.1 -62.7 -68.5 161.3 26.3 7.7 38.9 183 184 A K T 3 S+ 0 0 151 1,-0.3 -1,-0.2 -15,-0.1 -15,-0.1 -0.119 122.9 6.6 -44.4 126.9 28.0 7.5 42.2 184 185 A G T 3 S+ 0 0 33 1,-0.2 2,-1.4 -17,-0.1 -1,-0.3 0.288 90.9 129.2 82.1 -10.7 25.5 7.4 45.1 185 186 A D < + 0 0 2 -3,-2.8 2,-0.3 4,-0.1 -115,-0.2 -0.628 29.9 120.7 -86.8 91.1 22.4 7.2 42.8 186 187 A T S >> S- 0 0 25 -2,-1.4 4,-1.5 -117,-0.2 3,-1.0 -0.798 82.4 -86.8-134.5 172.5 20.4 4.3 44.2 187 188 A K H 3> S+ 0 0 0 26,-0.5 4,-2.2 -2,-0.3 5,-0.1 0.803 125.3 65.9 -56.8 -27.8 16.8 4.1 45.5 188 189 A Q H 3> S+ 0 0 68 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.911 101.5 48.5 -59.7 -41.5 18.2 5.1 48.9 189 190 A K H <> S+ 0 0 56 -3,-1.0 4,-2.5 -5,-0.3 -1,-0.2 0.907 107.6 56.7 -62.5 -42.2 19.2 8.5 47.5 190 191 A G H X S+ 0 0 0 -4,-1.5 4,-2.5 1,-0.2 5,-0.2 0.912 104.2 52.2 -58.0 -39.9 15.7 8.8 46.0 191 192 A I H X S+ 0 0 0 -4,-2.2 4,-3.1 1,-0.2 5,-0.3 0.956 109.3 49.3 -60.0 -48.4 14.2 8.3 49.4 192 193 A D H X S+ 0 0 60 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.894 112.0 48.2 -57.3 -44.5 16.3 11.2 50.8 193 194 A E H X S+ 0 0 23 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.936 114.4 46.1 -64.3 -46.0 15.4 13.5 48.0 194 195 A I H >X S+ 0 0 0 -4,-2.5 4,-1.0 -5,-0.2 3,-0.7 0.950 111.1 49.0 -62.5 -51.1 11.7 12.8 48.3 195 196 A I H >X>S+ 0 0 12 -4,-3.1 5,-2.3 1,-0.2 4,-0.8 0.862 101.4 63.0 -65.7 -27.9 11.4 13.1 52.0 196 197 A R H ><5S+ 0 0 165 -4,-1.5 3,-0.7 -5,-0.3 -1,-0.2 0.884 101.7 54.0 -58.9 -40.2 13.2 16.4 52.3 197 198 A H H <<5S+ 0 0 75 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.802 113.9 39.5 -67.3 -27.9 10.4 18.0 50.1 198 199 A F H <<5S- 0 0 73 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.384 108.9-116.7-103.2 2.3 7.7 16.8 52.4 199 200 A G T <<5 + 0 0 54 -4,-0.8 2,-0.3 -3,-0.7 -3,-0.2 0.762 64.5 151.5 67.9 24.2 9.5 17.4 55.8 200 201 A I < - 0 0 9 -5,-2.3 -1,-0.2 -6,-0.2 2,-0.2 -0.711 40.2-131.9 -92.6 140.2 9.3 13.7 56.4 201 202 A K > - 0 0 123 -2,-0.3 3,-2.3 1,-0.1 -199,-0.2 -0.579 17.0-118.9 -90.3 154.8 12.0 12.1 58.6 202 203 A L G > S+ 0 0 55 1,-0.3 3,-1.8 -2,-0.2 20,-0.9 0.873 113.7 61.9 -59.6 -35.9 13.9 9.0 57.7 203 204 A E G 3 S+ 0 0 140 1,-0.3 -1,-0.3 18,-0.1 18,-0.0 0.579 99.1 59.8 -67.3 -3.2 12.5 7.2 60.8 204 205 A E G < S+ 0 0 57 -3,-2.3 -202,-3.2 -203,-0.1 -201,-1.9 0.180 88.3 99.7-107.2 16.1 9.1 7.7 59.2 205 206 A T E < -b 3 0A 1 -3,-1.8 18,-1.2 -204,-0.2 2,-0.3 -0.729 44.9-173.4-106.8 153.6 9.8 5.8 56.0 206 207 A M E -bf 4 223A 0 -203,-1.9 -201,-2.6 -2,-0.3 2,-0.3 -0.993 9.3-164.4-140.9 133.6 8.9 2.2 54.9 207 208 A S E -bf 5 224A 0 16,-2.5 18,-2.8 -2,-0.3 2,-0.4 -0.879 4.7-159.2-122.4 156.3 10.2 0.6 51.7 208 209 A F E +bf 6 225A 0 -203,-2.3 -201,-1.9 -2,-0.3 2,-0.3 -0.999 24.2 148.2-135.5 131.9 9.0 -2.5 49.8 209 210 A G E - f 0 226A 0 16,-2.3 18,-2.1 -2,-0.4 21,-0.1 -0.993 36.2-164.9-159.6 164.0 11.1 -4.4 47.2 210 211 A D + 0 0 23 -2,-0.3 21,-0.5 -201,-0.2 2,-0.2 0.417 68.2 69.5-129.6 -2.6 11.9 -7.8 45.6 211 212 A G S > S- 0 0 5 19,-0.1 3,-2.3 23,-0.1 4,-0.4 -0.729 83.7-104.6-126.7 169.2 15.2 -7.2 43.8 212 213 A G G > S+ 0 0 24 -40,-0.4 3,-1.5 1,-0.3 4,-0.3 0.846 116.6 59.7 -55.8 -37.2 18.9 -6.6 44.1 213 214 A N G 3 S+ 0 0 12 1,-0.3 -26,-0.5 2,-0.1 -1,-0.3 0.446 100.6 59.8 -73.8 5.1 18.5 -2.9 43.2 214 215 A D G <> S+ 0 0 0 -3,-2.3 4,-2.2 -42,-0.1 -1,-0.3 0.500 76.8 91.8-105.4 -8.7 16.2 -2.5 46.3 215 216 A I H <> S+ 0 0 25 -3,-1.5 4,-2.2 -4,-0.4 5,-0.2 0.901 83.8 51.4 -57.7 -43.4 18.7 -3.6 48.8 216 217 A S H > S+ 0 0 23 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.915 113.8 42.7 -63.7 -38.9 19.9 -0.1 49.6 217 218 A M H > S+ 0 0 0 -4,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.782 110.4 56.6 -79.5 -21.0 16.4 1.3 50.2 218 219 A L H < S+ 0 0 0 -4,-2.2 21,-0.2 2,-0.2 -1,-0.2 0.923 115.1 38.8 -69.2 -42.6 15.4 -1.7 52.2 219 220 A R H < S+ 0 0 182 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.890 119.0 48.3 -69.3 -40.4 18.4 -1.0 54.5 220 221 A H H < S+ 0 0 42 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.840 93.0 82.6 -74.0 -38.2 18.0 2.7 54.4 221 222 A A S < S- 0 0 4 -4,-2.1 3,-0.2 -5,-0.1 -15,-0.1 -0.331 90.0-116.1 -66.1 153.6 14.3 3.0 55.1 222 223 A A S S+ 0 0 45 -20,-0.9 2,-0.4 1,-0.3 -16,-0.2 0.880 108.4 22.1 -58.6 -36.5 13.2 2.9 58.8 223 224 A I E S-f 206 0A 43 -18,-1.2 -16,-2.5 2,-0.0 2,-0.5 -0.975 77.3-164.9-133.8 117.7 11.4 -0.3 58.0 224 225 A G E -f 207 0A 0 -2,-0.4 15,-1.9 -18,-0.2 16,-1.8 -0.902 3.6-162.6-104.7 131.9 12.3 -2.4 54.9 225 226 A V E -fg 208 240A 0 -18,-2.8 -16,-2.3 -2,-0.5 2,-0.4 -0.940 1.7-159.3-116.0 121.9 9.9 -5.0 53.5 226 227 A A E -fg 209 241A 0 14,-2.5 16,-2.5 -2,-0.5 -16,-0.2 -0.816 25.9-114.3 -99.3 139.8 11.1 -7.8 51.2 227 228 A M > - 0 0 0 -18,-2.1 3,-2.1 -2,-0.4 16,-0.1 -0.371 29.1-113.5 -66.9 149.9 8.5 -9.6 49.0 228 229 A G T 3 S+ 0 0 14 15,-1.9 -1,-0.1 1,-0.3 15,-0.1 0.740 114.5 49.5 -62.9 -21.9 8.1 -13.3 49.8 229 230 A Q T 3 S+ 0 0 75 14,-0.3 -1,-0.3 -219,-0.2 2,-0.1 0.319 84.2 117.3-100.2 9.3 9.5 -14.5 46.5 230 231 A A S < S- 0 0 9 -3,-2.1 -19,-0.1 -21,-0.1 -20,-0.0 -0.430 74.1 -98.3 -72.6 155.6 12.7 -12.2 46.6 231 232 A K >> - 0 0 147 -21,-0.5 4,-2.0 1,-0.1 3,-0.8 -0.240 40.9-100.7 -66.7 163.2 16.1 -13.9 46.7 232 233 A E H 3> S+ 0 0 166 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.760 118.4 58.0 -63.1 -30.1 17.8 -14.3 50.1 233 234 A D H 3> S+ 0 0 100 2,-0.2 4,-0.9 1,-0.2 -1,-0.3 0.851 108.8 48.7 -72.1 -27.2 20.2 -11.4 49.9 234 235 A V H X> S+ 0 0 1 -3,-0.8 3,-0.8 2,-0.2 4,-0.6 0.951 112.7 47.7 -71.0 -47.0 17.1 -9.1 49.3 235 236 A K H >< S+ 0 0 66 -4,-2.0 3,-0.9 1,-0.2 -2,-0.2 0.857 107.7 56.6 -59.8 -35.8 15.4 -10.6 52.3 236 237 A A H 3< S+ 0 0 87 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.769 102.9 54.6 -69.5 -25.3 18.5 -10.3 54.4 237 238 A A H << S+ 0 0 9 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.601 99.5 85.0 -82.0 -11.1 18.6 -6.5 53.8 238 239 A A << - 0 0 19 -3,-0.9 -13,-0.2 -4,-0.6 3,-0.1 -0.533 69.2-145.0 -94.9 155.5 15.0 -6.2 55.1 239 240 A D S S+ 0 0 105 -15,-1.9 2,-0.3 1,-0.3 -14,-0.2 0.614 92.3 21.5 -86.7 -16.1 13.5 -5.8 58.6 240 241 A Y E -g 225 0A 65 -16,-1.8 -14,-2.5 -5,-0.0 2,-0.6 -0.986 64.9-148.7-155.2 137.1 10.5 -7.9 57.6 241 242 A V E -g 226 0A 63 -2,-0.3 -14,-0.2 -16,-0.2 2,-0.1 -0.947 22.9-169.4-110.7 119.8 9.7 -10.5 54.9 242 243 A T - 0 0 8 -16,-2.5 7,-0.1 -2,-0.6 8,-0.1 -0.293 33.4 -71.2 -96.2-177.7 6.1 -10.5 53.7 243 244 A A - 0 0 21 6,-0.2 -15,-1.9 5,-0.2 -14,-0.3 -0.221 65.3 -74.1 -70.6 167.8 4.3 -13.1 51.6 244 245 A P > > - 0 0 38 0, 0.0 3,-2.1 0, 0.0 5,-1.4 -0.224 50.9-106.7 -56.4 153.4 4.8 -13.5 47.8 245 246 A I G > 5S+ 0 0 11 1,-0.3 3,-0.8 -235,-0.2 5,-0.3 0.872 120.5 49.9 -51.8 -45.4 3.3 -10.7 45.7 246 247 A D G 3 5S+ 0 0 67 1,-0.3 -1,-0.3 2,-0.2 -226,-0.0 0.271 101.7 64.4 -84.3 16.1 0.5 -12.8 44.4 247 248 A E G < 5S- 0 0 107 -3,-2.1 -1,-0.3 -226,-0.0 -4,-0.1 -0.228 128.1 -92.1-123.2 38.3 -0.3 -14.0 48.0 248 249 A D T <>5 + 0 0 71 -3,-0.8 4,-2.9 1,-0.1 5,-0.3 0.825 69.9 160.4 57.9 36.2 -1.3 -10.4 49.1 249 250 A G H > S+ 0 0 0 -5,-0.3 4,-2.7 2,-0.2 5,-0.2 0.979 114.9 42.4 -68.4 -52.0 1.7 -5.9 50.2 251 252 A S H > S+ 0 0 6 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.916 114.7 52.5 -61.4 -43.1 -1.6 -5.8 52.0 252 253 A K H X S+ 0 0 96 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.905 110.7 46.6 -58.1 -42.0 -0.4 -8.3 54.5 253 254 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.3 6,-0.2 0.942 111.9 50.4 -67.1 -43.5 2.7 -6.4 55.4 254 255 A M H <>S+ 0 0 0 -4,-2.7 5,-2.3 -5,-0.2 6,-0.8 0.894 113.2 45.8 -62.4 -35.4 0.8 -3.2 55.7 255 256 A K H ><5S+ 0 0 134 -4,-2.3 3,-1.3 -5,-0.2 -1,-0.2 0.901 108.3 57.2 -69.6 -43.6 -1.7 -4.8 58.0 256 257 A H H 3<5S+ 0 0 104 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.884 109.7 44.8 -55.8 -40.8 1.1 -6.4 60.0 257 258 A F T 3<5S- 0 0 64 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.509 113.4-118.0 -83.4 -3.7 2.6 -3.0 60.7 258 259 A G T < 5S+ 0 0 58 -3,-1.3 -3,-0.2 -4,-0.3 -2,-0.1 0.752 75.6 129.5 77.2 24.1 -0.7 -1.4 61.5 259 260 A I < 0 0 15 -5,-2.3 -4,-0.2 -6,-0.2 -223,-0.1 0.823 360.0 360.0 -78.2 -33.2 -0.7 1.1 58.7 260 261 A I 0 0 64 -6,-0.8 -2,-0.2 -9,-0.1 -1,-0.1 -0.802 360.0 360.0-139.2 360.0 -4.2 0.0 57.6