==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 31-JAN-04 1S89 . COMPND 2 MOLECULE: METHYLGLYOXAL SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR G.T.MARKS,D.H.HARRISON,M.SUSLER . 912 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32424.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 677 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 108 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 70 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 311 34.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 26 2.9 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 4 1 1 0 7 4 8 6 1 8 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 6 6 6 6 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 . 0 0 0 0 0 6 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 . 6 0 0 6 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 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 0 146 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-104.4 116.5 -26.6 67.6 2 2 A E - 0 0 88 2,-0.0 140,-2.7 0, 0.0 2,-0.3 -0.824 360.0-171.5-157.7 110.9 117.7 -23.7 69.8 3 3 A L E +A 141 0A 88 -2,-0.3 2,-0.2 138,-0.3 136,-0.0 -0.795 11.8 166.3-114.3 151.7 115.7 -22.5 72.9 4 4 A T E -A 140 0A 54 136,-3.4 136,-1.5 -2,-0.3 2,-0.3 -0.507 33.0 -95.0-134.2-156.7 115.9 -19.6 75.3 5 5 A T E -A 139 0A 79 134,-0.3 2,-0.3 -2,-0.2 134,-0.2 -0.983 21.7-171.2-140.1 148.1 113.5 -18.2 77.9 6 6 A R E -A 138 0A 45 132,-2.7 132,-3.3 -2,-0.3 2,-0.7 -0.959 22.6-131.5-130.2 148.2 110.8 -15.5 78.4 7 7 A T E -A 137 0A 77 -2,-0.3 130,-0.3 130,-0.3 128,-0.0 -0.893 12.8-144.5-107.8 114.4 109.2 -14.4 81.6 8 8 A L E -A 136 0A 0 128,-3.5 128,-1.8 -2,-0.7 4,-0.1 -0.603 30.3-119.2 -73.5 130.2 105.4 -14.1 81.5 9 9 A P - 0 0 47 0, 0.0 125,-0.1 0, 0.0 4,-0.1 -0.261 13.8-116.6 -69.0 157.8 104.5 -11.1 83.8 10 10 A A S S+ 0 0 48 1,-0.2 2,-1.1 125,-0.1 -2,-0.0 0.879 112.1 60.6 -61.3 -39.1 102.3 -11.5 86.9 11 11 A R S S- 0 0 155 29,-0.1 -1,-0.2 28,-0.0 122,-0.1 -0.790 93.7-147.7 -92.3 97.8 99.7 -9.3 85.2 12 12 A K - 0 0 0 -2,-1.1 29,-2.5 120,-0.3 2,-0.9 -0.340 11.7-134.3 -71.2 145.5 98.9 -11.5 82.1 13 13 A H E -b 41 0B 55 27,-0.2 71,-2.8 -4,-0.1 72,-1.7 -0.885 34.1-166.0 -98.6 104.9 97.9 -10.1 78.7 14 14 A I E -bc 42 85B 3 27,-3.1 29,-3.2 -2,-0.9 2,-0.5 -0.813 14.0-155.4-102.2 131.1 95.0 -12.4 77.9 15 15 A A E -bc 43 86B 0 70,-2.6 72,-3.0 -2,-0.4 2,-0.5 -0.896 9.2-163.3-105.2 130.2 93.4 -12.7 74.5 16 16 A L E +bc 44 87B 0 27,-2.7 29,-1.0 -2,-0.5 2,-0.4 -0.964 15.8 166.4-116.9 122.2 89.8 -13.9 74.4 17 17 A V E + c 0 88B 3 70,-2.7 72,-2.3 -2,-0.5 2,-0.4 -0.998 5.5 175.4-139.4 134.0 88.4 -15.2 71.2 18 18 A A E - c 0 89B 4 -2,-0.4 30,-0.2 70,-0.2 2,-0.2 -0.998 27.6-129.1-143.5 141.2 85.2 -17.1 70.5 19 19 A H >> - 0 0 20 70,-2.3 3,-2.9 -2,-0.4 4,-0.8 -0.566 44.2-101.2 -80.7 150.4 83.3 -18.4 67.4 20 20 A D G >4 S+ 0 0 83 1,-0.3 3,-1.3 2,-0.2 4,-0.4 0.827 121.4 51.3 -40.2 -51.9 79.6 -17.4 67.4 21 21 A H G 34 S+ 0 0 140 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.562 116.1 43.8 -68.6 -4.9 78.3 -20.8 68.6 22 22 A C G <> S+ 0 0 4 -3,-2.9 4,-2.2 67,-0.2 -1,-0.3 0.417 84.5 95.5-116.7 -0.7 80.7 -20.6 71.5 23 23 A K H S+ 0 0 72 -4,-0.4 4,-2.9 2,-0.2 5,-0.2 0.915 109.0 50.5 -68.8 -40.6 77.7 -17.7 75.2 25 25 A M H > S+ 0 0 84 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.949 113.7 44.6 -60.0 -49.1 80.1 -20.2 76.8 26 26 A L H X S+ 0 0 2 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.943 112.9 51.8 -60.4 -49.1 82.9 -17.7 76.8 27 27 A M H X S+ 0 0 40 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.920 111.1 46.2 -54.0 -50.7 80.6 -14.9 78.1 28 28 A S H X S+ 0 0 59 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.953 112.1 51.8 -58.5 -48.8 79.4 -17.0 81.0 29 29 A W H X S+ 0 0 5 -4,-2.5 4,-0.7 -5,-0.2 -1,-0.2 0.878 110.5 48.7 -55.2 -41.6 82.9 -18.1 81.8 30 30 A V H >< S+ 0 0 0 -4,-2.6 3,-0.9 2,-0.2 -1,-0.2 0.931 109.8 51.0 -65.5 -45.9 84.1 -14.5 81.8 31 31 A E H >< S+ 0 0 54 -4,-2.6 3,-1.1 1,-0.3 -2,-0.2 0.905 109.1 51.3 -59.3 -42.7 81.2 -13.4 84.1 32 32 A R H 3< S+ 0 0 141 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.658 119.6 36.3 -69.6 -16.0 82.0 -16.1 86.6 33 33 A H T + 0 0 45 -3,-1.1 4,-2.8 1,-0.2 5,-0.2 0.930 69.6 61.0 -55.4 -49.2 85.3 -11.4 86.4 35 35 A P H 4 S+ 0 0 99 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.898 115.1 34.3 -44.6 -48.3 86.9 -10.6 89.8 36 36 A L H >4 S+ 0 0 38 -3,-0.4 3,-1.1 1,-0.2 -2,-0.2 0.888 117.7 50.7 -76.3 -41.3 90.1 -12.3 88.7 37 37 A L H 3< S+ 0 0 1 -4,-2.8 -1,-0.2 1,-0.3 -3,-0.2 0.740 92.7 79.6 -67.9 -20.5 90.0 -11.2 85.0 38 38 A E T 3< S+ 0 0 99 -4,-2.8 -1,-0.3 -5,-0.3 -2,-0.2 0.874 96.5 48.7 -52.2 -40.7 89.4 -7.7 86.4 39 39 A Q S < S+ 0 0 125 -3,-1.1 -28,-0.0 -4,-0.5 0, 0.0 -0.268 96.3 56.1 -85.6-175.9 93.1 -7.6 86.9 40 40 A H S S- 0 0 8 -2,-0.1 2,-0.4 -27,-0.1 -27,-0.2 0.249 94.8 -85.8 68.1 154.1 95.3 -8.7 84.0 41 41 A V E -b 13 0B 26 -29,-2.5 -27,-3.1 19,-0.0 2,-0.4 -0.843 43.1-147.6-101.2 133.6 95.0 -7.0 80.6 42 42 A L E +bd 14 60B 5 17,-0.5 19,-2.7 -2,-0.4 2,-0.3 -0.849 18.7 174.0-111.4 136.4 92.4 -8.2 78.2 43 43 A Y E +bd 15 61B 38 -29,-3.2 -27,-2.7 -2,-0.4 2,-0.3 -0.885 8.6 168.8-127.5 159.2 92.4 -8.3 74.4 44 44 A A E -bd 16 62B 0 17,-2.1 19,-3.1 -2,-0.3 -27,-0.2 -0.987 36.7 -95.5-164.8 162.4 89.9 -9.8 72.0 45 45 A T > - 0 0 6 -29,-1.0 4,-2.3 -2,-0.3 20,-0.3 -0.243 59.6 -84.9 -73.4 174.3 88.8 -10.0 68.4 46 46 A G H > S+ 0 0 0 18,-1.9 4,-2.2 2,-0.2 5,-0.2 0.931 117.7 28.7 -47.3 -75.7 86.1 -7.7 67.3 47 47 A T H > S+ 0 0 6 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.954 122.3 49.6 -56.9 -56.9 82.7 -9.2 68.1 48 48 A T H > S+ 0 0 4 -30,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.918 111.9 50.7 -48.8 -50.0 83.8 -11.2 71.1 49 49 A G H X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.924 109.4 46.5 -57.3 -52.1 85.5 -8.2 72.6 50 50 A N H X S+ 0 0 58 -4,-2.2 4,-2.3 -5,-0.3 -1,-0.2 0.885 110.9 53.9 -61.6 -38.0 82.7 -5.7 72.3 51 51 A L H X S+ 0 0 33 -4,-2.2 4,-1.5 -5,-0.2 -1,-0.2 0.941 110.2 46.3 -62.2 -46.1 80.2 -8.2 73.7 52 52 A I H >X>S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.2 3,-0.6 0.951 114.4 46.5 -60.1 -50.6 82.3 -8.8 76.8 53 53 A S H 3X5S+ 0 0 46 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.852 112.6 52.6 -59.8 -35.5 83.0 -5.1 77.4 54 54 A R H 3<5S+ 0 0 134 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.743 116.8 35.6 -74.9 -24.6 79.3 -4.4 76.9 55 55 A A H <<5S+ 0 0 72 -4,-1.5 -2,-0.2 -3,-0.6 -1,-0.2 0.609 129.4 28.2-105.5 -14.8 78.0 -7.0 79.4 56 56 A T H <5S- 0 0 25 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.618 90.9-129.0-119.0 -21.9 80.7 -6.8 82.1 57 57 A G << + 0 0 62 -4,-1.3 -4,-0.2 -5,-0.5 -3,-0.1 0.481 58.8 142.2 84.4 1.6 82.0 -3.2 81.9 58 58 A M - 0 0 8 -6,-0.4 2,-0.5 1,-0.1 -1,-0.3 -0.327 59.0-104.1 -74.7 159.4 85.6 -4.4 81.8 59 59 A N + 0 0 151 -21,-0.2 -17,-0.5 -3,-0.1 2,-0.4 -0.737 44.5 176.5 -85.7 125.3 88.2 -2.7 79.6 60 60 A V E -d 42 0B 24 -2,-0.5 2,-1.0 -19,-0.1 -17,-0.2 -0.989 29.7-139.6-135.3 126.7 89.0 -4.8 76.5 61 61 A N E -d 43 0B 77 -19,-2.7 -17,-2.1 -2,-0.4 2,-0.4 -0.741 30.8-157.5 -83.3 103.6 91.3 -3.9 73.7 62 62 A A E -d 44 0B 45 -2,-1.0 -17,-0.2 -19,-0.2 -16,-0.1 -0.713 9.3-166.4 -91.3 132.9 89.3 -5.2 70.7 63 63 A M - 0 0 44 -19,-3.1 7,-0.1 -2,-0.4 -14,-0.1 -0.210 44.4 -59.9 -96.2-168.2 91.0 -6.0 67.4 64 64 A L S S- 0 0 29 -19,-0.2 -18,-1.9 1,-0.1 -1,-0.3 -0.243 70.7 -82.1 -69.3 166.2 89.3 -6.6 64.0 65 65 A S >>> - 0 0 2 -20,-0.3 5,-2.5 -19,-0.2 3,-1.1 -0.384 45.6-107.4 -67.9 150.5 86.7 -9.3 63.8 66 66 A G G >4>S+ 0 0 7 1,-0.3 3,-1.8 4,-0.2 5,-0.8 0.899 118.2 46.4 -44.8 -58.3 88.1 -12.8 63.2 67 67 A P G 345S+ 0 0 24 0, 0.0 -1,-0.3 0, 0.0 -2,-0.0 0.722 111.7 54.5 -59.8 -22.9 87.1 -13.1 59.5 68 68 A M G <45S- 0 0 0 -3,-1.1 -2,-0.2 808,-0.0 -3,-0.1 0.451 137.7 -73.8 -93.6 -0.3 88.3 -9.6 58.9 69 69 A G T S+ 0 0 0 -6,-0.3 4,-2.7 2,-0.2 769,-0.3 0.817 109.1 55.0 -71.0 -30.7 96.0 -12.8 62.5 73 73 A Q H X S+ 0 0 18 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.927 111.7 43.7 -67.2 -44.1 96.3 -9.7 64.6 74 74 A V H X S+ 0 0 2 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.949 112.6 54.3 -63.9 -45.3 96.2 -11.8 67.7 75 75 A G H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.918 108.1 48.5 -52.8 -47.9 98.6 -14.2 66.1 76 76 A A H X S+ 0 0 6 -4,-2.7 4,-1.5 761,-0.3 -1,-0.2 0.922 109.8 52.0 -59.6 -45.9 101.0 -11.3 65.4 77 77 A L H <>S+ 0 0 32 -4,-2.2 5,-3.1 1,-0.2 6,-0.7 0.867 108.8 51.7 -59.8 -37.4 100.8 -10.1 69.0 78 78 A I H ><5S+ 0 0 2 -4,-2.4 3,-2.3 4,-0.2 5,-0.2 0.965 108.6 48.6 -65.1 -49.9 101.6 -13.6 70.2 79 79 A S H 3<5S+ 0 0 6 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.761 109.9 54.7 -62.0 -22.8 104.7 -14.0 68.1 80 80 A E T 3<5S- 0 0 81 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.267 118.0-113.1 -92.8 10.4 105.8 -10.5 69.3 81 81 A G T < 5S+ 0 0 27 -3,-2.3 -3,-0.2 2,-0.1 -2,-0.1 0.752 85.3 119.9 64.8 26.4 105.5 -11.7 73.0 82 82 A K < + 0 0 105 -5,-3.1 2,-0.4 -6,-0.2 -4,-0.2 0.541 63.6 59.1 -96.0 -12.5 102.6 -9.3 73.6 83 83 A I + 0 0 0 -6,-0.7 -69,-0.2 -5,-0.2 -2,-0.1 -0.980 53.5 177.6-120.7 131.1 100.0 -12.0 74.5 84 84 A D + 0 0 2 -71,-2.8 2,-0.4 -2,-0.4 -70,-0.2 0.714 69.7 26.7-103.4 -26.6 100.6 -14.3 77.4 85 85 A V E -c 14 0B 0 -72,-1.7 -70,-2.6 29,-0.1 2,-0.5 -0.999 62.8-156.5-139.9 140.4 97.5 -16.4 77.5 86 86 A L E -ce 15 116B 0 29,-2.3 31,-2.5 -2,-0.4 2,-0.7 -0.966 6.0-173.7-123.7 118.7 95.1 -17.4 74.8 87 87 A I E +ce 16 117B 5 -72,-3.0 -70,-2.7 -2,-0.5 2,-0.5 -0.931 18.6 170.3-107.8 105.3 91.5 -18.4 75.5 88 88 A F E -c 17 0B 0 29,-2.7 2,-1.3 -2,-0.7 -70,-0.2 -0.874 18.3-173.3-125.7 101.2 90.1 -19.5 72.2 89 89 A F E +c 18 0B 3 -72,-2.3 -70,-2.3 -2,-0.5 2,-0.3 -0.698 17.4 179.0 -92.0 86.2 86.7 -21.2 72.1 90 90 A W - 0 0 26 -2,-1.3 -2,-0.0 28,-0.2 -72,-0.0 -0.633 36.9-104.1 -86.9 149.3 86.5 -22.3 68.4 91 91 A D > - 0 0 11 -2,-0.3 3,-0.6 1,-0.1 -1,-0.1 -0.617 31.3-174.4 -76.5 116.3 83.4 -24.2 67.3 92 92 A P T 3 S+ 0 0 16 0, 0.0 -1,-0.1 0, 0.0 172,-0.1 0.399 82.5 53.1 -89.4 1.9 84.2 -27.9 66.9 93 93 A L T 3 S+ 0 0 34 1,-0.1 2,-0.3 617,-0.0 617,-0.1 0.221 106.7 48.9-121.4 14.4 80.8 -28.7 65.5 94 94 A N S < S- 0 0 73 -3,-0.6 2,-0.2 615,-0.2 -1,-0.1 -0.986 76.1-121.2-154.3 142.8 80.6 -26.2 62.7 95 95 A A - 0 0 59 -2,-0.3 306,-0.1 612,-0.2 3,-0.0 -0.550 25.2-159.9 -85.2 148.8 82.8 -25.1 59.8 96 96 A V > - 0 0 30 -2,-0.2 3,-0.9 1,-0.1 304,-0.1 -0.959 25.1-129.5-130.3 149.7 84.1 -21.5 59.4 97 97 A P T 3 S+ 0 0 43 0, 0.0 2,-0.3 0, 0.0 303,-0.2 0.848 108.6 57.7 -63.6 -35.6 85.4 -19.5 56.4 98 98 A N T 3> + 0 0 7 1,-0.2 4,-2.1 301,-0.1 5,-0.1 -0.130 68.4 129.5 -88.5 40.7 88.4 -18.4 58.4 99 99 A D H <> S+ 0 0 72 -3,-0.9 4,-2.6 -2,-0.3 5,-0.2 0.893 71.5 49.7 -61.5 -43.0 89.5 -22.0 59.1 100 100 A P H > S+ 0 0 26 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.918 109.3 52.4 -64.7 -37.1 93.1 -21.4 58.0 101 101 A D H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.915 110.6 49.4 -61.2 -41.8 93.3 -18.3 60.2 102 102 A V H X S+ 0 0 1 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.958 113.8 43.1 -61.6 -54.1 92.1 -20.4 63.1 103 103 A K H X S+ 0 0 49 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.884 113.6 53.5 -60.2 -39.5 94.6 -23.2 62.5 104 104 A A H X S+ 0 0 0 -4,-2.9 4,-2.1 -5,-0.2 -1,-0.2 0.888 108.1 50.0 -63.3 -39.9 97.3 -20.6 61.9 105 105 A L H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.921 112.0 46.5 -66.2 -44.1 96.6 -18.9 65.2 106 106 A L H X S+ 0 0 30 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.842 109.3 56.3 -68.2 -30.8 96.7 -22.2 67.1 107 107 A R H X S+ 0 0 6 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.943 109.4 45.1 -64.7 -46.0 99.9 -23.1 65.4 108 108 A L H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.854 109.6 54.4 -65.6 -37.1 101.6 -19.9 66.5 109 109 A A H <>S+ 0 0 0 -4,-2.0 5,-1.7 2,-0.2 -1,-0.2 0.877 112.1 45.9 -63.7 -36.5 100.3 -20.3 70.1 110 110 A T H ><5S+ 0 0 14 -4,-1.7 3,-1.1 3,-0.2 -2,-0.2 0.924 113.2 49.2 -70.1 -47.2 101.9 -23.8 70.1 111 111 A V H 3<5S+ 0 0 16 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.927 113.0 45.6 -58.7 -49.3 105.2 -22.5 68.6 112 112 A W T 3<5S- 0 0 21 -4,-3.0 -1,-0.3 -5,-0.1 -2,-0.2 0.386 105.9-131.8 -80.0 5.9 105.5 -19.7 71.0 113 113 A N T < 5 + 0 0 13 -3,-1.1 -3,-0.2 1,-0.2 -4,-0.1 0.848 49.1 150.4 48.5 52.3 104.7 -22.0 73.9 114 114 A I < - 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0 0 1 -5,-1.6 -451,-0.2 -452,-0.1 -1,-0.2 -0.910 59.2 -84.7-119.8 151.7 94.7 -5.3 47.2 880 115 F P - 0 0 0 0, 0.0 -29,-2.3 0, 0.0 2,-0.4 -0.322 54.0-173.7 -54.9 128.0 96.9 -6.2 44.2 881 116 F V E -d 851 0L 11 -31,-0.2 2,-0.4 -459,-0.1 -29,-0.2 -0.994 13.7-170.9-132.8 132.1 98.4 -9.7 44.8 882 117 F A E +d 852 0L 0 -31,-2.8 -29,-2.9 -2,-0.4 3,-0.1 -0.979 13.8 173.2-124.9 130.0 100.9 -11.7 42.9 883 118 F T S S+ 0 0 24 -2,-0.4 2,-0.3 -31,-0.2 -28,-0.2 0.242 73.2 29.9-115.1 8.9 101.8 -15.3 43.5 884 119 F N S > S- 0 0 8 -30,-0.1 4,-2.1 -462,-0.1 5,-0.1 -0.968 86.7-101.8-158.5 164.7 104.1 -15.8 40.5 885 120 F V H > S+ 0 0 28 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.890 114.4 58.1 -59.0 -46.5 106.4 -13.7 38.3 886 121 F A H > S+ 0 0 3 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.911 112.5 40.8 -52.0 -47.9 104.0 -13.3 35.4 887 122 F T H > S+ 0 0 0 -467,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.887 112.1 56.1 -69.4 -38.6 101.5 -11.6 37.6 888 123 F A H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.893 109.4 47.5 -60.4 -40.1 104.2 -9.7 39.4 889 124 F D H X S+ 0 0 31 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.933 109.7 50.6 -67.3 -48.5 105.3 -8.2 36.1 890 125 F F H < S+ 0 0 7 -4,-2.1 4,-0.3 -5,-0.2 -1,-0.2 0.872 113.4 48.0 -57.7 -37.3 101.9 -7.3 34.9 891 126 F I H >< S+ 0 0 1 -4,-2.2 3,-1.0 2,-0.2 -2,-0.2 0.951 114.0 42.5 -69.6 -51.1 101.2 -5.5 38.2 892 127 F I H 3< S+ 0 0 8 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.761 115.6 50.6 -70.5 -23.0 104.4 -3.5 38.4 893 128 F Q T 3< S+ 0 0 74 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.456 84.6 115.2 -91.1 -3.1 104.3 -2.6 34.7 894 129 F S S X S- 0 0 3 -3,-1.0 3,-1.6 -4,-0.3 4,-0.2 -0.439 75.5-122.6 -68.4 143.2 100.7 -1.4 35.0 895 130 F P G > S+ 0 0 67 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.785 107.2 48.5 -56.6 -32.9 100.3 2.3 34.3 896 131 F H G > S+ 0 0 74 1,-0.2 3,-1.8 2,-0.1 -2,-0.1 0.297 75.2 104.4 -96.4 14.3 98.7 3.1 37.7 897 132 F F G < S+ 0 0 5 -3,-1.6 -120,-0.2 1,-0.3 -1,-0.2 0.801 90.4 40.8 -61.7 -27.0 101.3 1.3 39.9 898 133 F N G < S+ 0 0 76 -3,-0.5 -1,-0.3 -4,-0.2 2,-0.3 0.184 107.6 81.5-105.5 15.2 102.7 4.7 40.7 899 134 F D S < S- 0 0 71 -3,-1.8 2,-0.4 -125,-0.1 -3,-0.0 -0.745 87.8 -97.8-117.2 166.8 99.4 6.5 41.1 900 135 F A - 0 0 64 -2,-0.3 2,-0.4 -128,-0.0 -125,-0.1 -0.666 46.3-171.7 -80.1 133.8 96.7 6.8 43.8 901 136 F V E -Z 773 0K 33 -128,-1.7 -128,-3.2 -2,-0.4 2,-0.4 -0.993 20.0-130.1-136.5 133.0 93.9 4.3 43.1 902 137 F D E -Z 772 0K 111 -2,-0.4 2,-0.3 -130,-0.2 -130,-0.2 -0.625 27.9-177.2 -81.7 131.9 90.5 3.8 44.7 903 138 F I E -Z 771 0K 8 -132,-2.9 -132,-2.3 -2,-0.4 2,-0.4 -0.918 26.0-120.1-127.0 152.9 89.6 0.3 45.7 904 139 F L E +Z 770 0K 97 -2,-0.3 -134,-0.2 -134,-0.2 -477,-0.2 -0.771 36.8 174.3 -91.5 136.5 86.5 -1.1 47.3 905 140 F I E -Z 769 0K 17 -136,-2.2 -136,-3.1 -2,-0.4 -28,-0.1 -0.958 39.8 -84.5-139.3 156.8 86.9 -2.7 50.6 906 141 F P E -Z 768 0K 9 0, 0.0 2,-1.3 0, 0.0 -138,-0.3 -0.327 41.2-123.3 -61.0 143.2 84.5 -4.2 53.2 907 142 F D > - 0 0 42 -140,-2.2 4,-1.8 1,-0.2 -140,-0.2 -0.723 27.2-172.4 -92.3 90.2 83.1 -1.6 55.5 908 143 F Y H > S+ 0 0 35 -2,-1.3 4,-3.7 1,-0.2 5,-0.3 0.851 78.4 58.3 -50.3 -45.3 84.1 -2.9 58.9 909 144 F Q H > S+ 0 0 137 1,-0.3 4,-3.2 2,-0.2 5,-0.3 0.966 112.0 39.2 -50.3 -61.9 82.1 -0.4 60.9 910 145 F R H > S+ 0 0 26 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.773 116.3 56.2 -60.3 -26.1 78.8 -1.4 59.3 911 146 F Y H X S+ 0 0 48 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.968 113.2 36.5 -69.7 -54.6 80.0 -4.9 59.6 912 147 F L H X S+ 0 0 21 -4,-3.7 4,-1.6 2,-0.2 -2,-0.2 0.896 114.4 56.1 -65.2 -42.7 80.7 -4.9 63.3 913 148 F A H < S+ 0 0 64 -4,-3.2 -1,-0.2 -5,-0.3 -2,-0.2 0.874 109.9 47.8 -57.2 -36.6 77.6 -2.7 64.0 914 149 F D H < S+ 0 0 131 -4,-1.2 -1,-0.2 -5,-0.3 -2,-0.2 0.869 106.0 56.4 -72.1 -38.1 75.6 -5.4 62.3 915 150 F R H < S+ 0 0 75 -4,-1.8 -1,-0.2 2,-0.1 -2,-0.2 0.791 111.1 54.5 -64.1 -27.1 77.2 -8.2 64.2 916 151 F L < 0 0 19 -4,-1.6 -869,-0.0 1,-0.1 -865,-0.0 -0.332 360.0 360.0 -99.9-178.0 76.1 -6.4 67.4 917 152 F K 0 0 189 -2,-0.1 -1,-0.1 0, 0.0 -3,-0.1 0.290 360.0 360.0 40.7 360.0 72.7 -5.2 68.7