==== 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 LYASE 04-JAN-02 1KQ7 . COMPND 2 MOLECULE: FUMARATE HYDRATASE CLASS II; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR T.M.WEAVER,M.ESTEVEZ,J.SKARDA,J.SPENCER . 911 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38154.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 649 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 4.5 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 . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 . 27 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 442 48.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 2.5 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 3 0 3 3 1 3 0 0 0 2 2 2 0 0 4 2 2 2 0 0 4 0 0 2 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 2 0 0 3 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 . 8 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 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 4 A V 0 0 127 0, 0.0 2,-0.3 0, 0.0 11,-0.1 0.000 360.0 360.0 360.0 161.2 86.9 183.3 57.2 2 5 A R E -A 13 0A 41 11,-2.5 11,-2.8 9,-0.1 2,-0.6 -0.919 360.0-108.4-128.8 155.5 85.5 182.8 53.7 3 6 A S E -A 12 0A 65 -2,-0.3 118,-0.5 9,-0.2 2,-0.3 -0.779 33.2-177.1 -93.5 118.3 82.7 180.5 52.5 4 7 A E E -A 11 0A 1 7,-2.8 7,-3.2 -2,-0.6 2,-0.3 -0.731 9.5-165.1-104.2 159.7 83.7 177.4 50.4 5 8 A K E +A 10 0A 118 -2,-0.3 5,-0.2 5,-0.3 16,-0.2 -0.998 18.3 167.8-152.8 151.8 81.2 175.0 48.9 6 9 A D E > -A 9 0A 34 3,-1.5 3,-1.5 -2,-0.3 0, 0.0 -0.623 63.7 -64.5-138.1-162.7 80.7 171.6 47.3 7 10 A S T 3 S+ 0 0 137 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 0.402 131.3 57.1 -75.8 7.9 77.7 169.4 46.4 8 11 A M T 3 S- 0 0 141 1,-0.4 -1,-0.3 0, 0.0 2,-0.1 0.233 117.9 -93.6-119.7 9.1 77.0 169.1 50.2 9 12 A G E < -A 6 0A 30 -3,-1.5 -3,-1.5 2,-0.0 -1,-0.4 -0.435 55.5 -40.0 107.5 177.0 76.6 172.8 50.9 10 13 A A E -A 5 0A 63 -5,-0.2 2,-0.3 -2,-0.1 -5,-0.3 -0.455 48.2-174.3 -80.6 154.4 78.7 175.8 52.1 11 14 A I E -A 4 0A 26 -7,-3.2 -7,-2.8 -2,-0.1 2,-0.4 -0.982 27.4-115.2-152.4 133.7 81.3 175.6 54.8 12 15 A D E -A 3 0A 104 -2,-0.3 -9,-0.2 -9,-0.2 -7,-0.0 -0.605 34.4-174.8 -74.8 124.9 83.4 178.2 56.5 13 16 A V E -A 2 0A 0 -11,-2.8 -11,-2.5 -2,-0.4 8,-0.1 -0.914 38.3 -86.7-120.5 144.1 87.2 177.9 55.9 14 17 A P > - 0 0 36 0, 0.0 3,-1.5 0, 0.0 5,-0.1 -0.235 31.1-141.0 -50.6 129.3 90.0 180.0 57.4 15 18 A A T 3 S+ 0 0 49 1,-0.3 -12,-0.0 3,-0.0 -2,-0.0 0.897 102.3 54.2 -59.8 -39.9 90.5 183.1 55.3 16 19 A D T 3 S+ 0 0 117 2,-0.0 2,-0.4 0, 0.0 -1,-0.3 0.315 98.5 83.3 -78.8 7.6 94.3 182.8 55.8 17 20 A K < - 0 0 39 -3,-1.5 68,-0.1 2,-0.1 -4,-0.1 -0.916 66.2-148.0-118.7 144.5 94.3 179.2 54.5 18 21 A L + 0 0 4 -2,-0.4 91,-0.3 64,-0.0 102,-0.2 0.529 64.4 100.4 -83.4 -12.5 94.4 177.8 50.9 19 22 A W - 0 0 14 1,-0.1 -2,-0.1 90,-0.1 83,-0.1 -0.205 60.0-135.8 -73.2 169.3 92.3 174.6 51.3 20 23 A G > - 0 0 0 81,-0.1 4,-1.7 82,-0.1 5,-0.1 -0.117 35.5 -67.2-107.7-155.3 88.7 174.2 50.4 21 24 A A H > S+ 0 0 2 -16,-0.2 4,-2.7 1,-0.2 5,-0.2 0.937 123.1 51.3 -64.3 -54.6 85.4 172.7 51.6 22 25 A Q H > S+ 0 0 59 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.811 112.4 48.0 -57.2 -32.0 86.2 169.0 51.5 23 26 A T H > S+ 0 0 1 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.907 114.6 44.9 -74.6 -42.0 89.4 169.6 53.5 24 27 A Q H < S+ 0 0 24 -4,-1.7 4,-0.5 2,-0.2 -2,-0.2 0.806 115.6 50.5 -69.7 -28.9 87.6 171.7 56.1 25 28 A R H >< S+ 0 0 38 -4,-2.7 3,-1.4 1,-0.2 -2,-0.2 0.952 110.9 44.2 -75.0 -51.3 84.8 169.1 56.1 26 29 A S H >X S+ 0 0 5 -4,-2.4 4,-2.3 1,-0.3 3,-0.7 0.661 101.5 73.7 -68.5 -13.8 87.0 166.0 56.6 27 30 A L T 3< S+ 0 0 34 -4,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.805 102.5 38.4 -69.1 -29.6 88.8 168.1 59.2 28 31 A E T <4 S+ 0 0 102 -3,-1.4 -1,-0.2 -4,-0.5 -2,-0.2 0.272 120.4 45.8-104.9 9.3 85.9 167.7 61.6 29 32 A H T <4 S+ 0 0 128 -3,-0.7 2,-1.0 -4,-0.2 -2,-0.2 0.711 111.9 45.8-112.4 -49.8 85.0 164.1 60.7 30 33 A F < + 0 0 66 -4,-2.3 2,-1.4 -5,-0.1 59,-0.4 -0.426 67.7 147.6 -96.0 58.7 88.5 162.4 60.7 31 34 A R + 0 0 189 -2,-1.0 2,-0.5 -3,-0.1 -1,-0.1 -0.566 23.2 145.5 -92.4 70.3 89.7 164.0 64.0 32 35 A I - 0 0 89 -2,-1.4 59,-0.4 59,-0.2 58,-0.2 -0.946 57.9 -51.7-118.9 121.6 91.9 161.0 65.0 33 36 A S S S- 0 0 86 -2,-0.5 56,-0.0 1,-0.2 -1,-0.0 0.071 75.0 -75.5 51.2-160.5 95.2 161.2 66.9 34 37 A T S S+ 0 0 104 -3,-0.1 2,-0.2 55,-0.1 -1,-0.2 0.470 83.7 118.9-113.9 -3.4 98.0 163.5 65.7 35 38 A E + 0 0 61 -3,-0.2 55,-1.9 54,-0.0 56,-0.4 -0.451 36.5 174.4 -70.9 133.9 99.6 161.7 62.8 36 39 A K B -B 89 0B 107 53,-0.3 53,-0.2 -2,-0.2 54,-0.1 -0.845 44.5 -66.9-132.2 168.4 99.5 163.5 59.4 37 40 A M - 0 0 22 51,-0.9 2,-0.1 -2,-0.3 49,-0.1 -0.393 60.0-121.4 -58.5 120.3 100.8 163.0 55.9 38 41 A P >> - 0 0 21 0, 0.0 3,-2.2 0, 0.0 4,-1.7 -0.380 20.5-109.3 -67.5 144.8 104.7 163.4 56.1 39 42 A T H 3> S+ 0 0 84 1,-0.3 4,-2.9 2,-0.2 5,-0.3 0.837 116.7 59.5 -37.0 -55.0 106.5 166.0 54.1 40 43 A S H 3> S+ 0 0 38 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.786 109.7 44.4 -48.4 -35.3 108.0 163.5 51.7 41 44 A L H <> S+ 0 0 0 -3,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.898 110.0 52.9 -77.6 -45.9 104.5 162.3 50.8 42 45 A I H X S+ 0 0 12 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.918 112.6 46.5 -55.7 -44.2 103.1 165.8 50.4 43 46 A H H X S+ 0 0 49 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.893 112.3 50.1 -64.3 -42.5 106.0 166.6 48.0 44 47 A A H X S+ 0 0 2 -4,-1.3 4,-1.6 -5,-0.3 -2,-0.2 0.820 110.5 49.9 -65.7 -32.9 105.4 163.3 46.2 45 48 A L H X S+ 0 0 2 -4,-2.7 4,-1.5 2,-0.2 -1,-0.2 0.850 112.1 48.0 -73.9 -34.7 101.7 164.1 45.9 46 49 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.872 109.7 52.2 -71.1 -40.4 102.6 167.6 44.5 47 50 A L H X S+ 0 0 22 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.884 106.9 54.9 -61.9 -38.8 105.1 166.1 42.1 48 51 A T H X S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.904 111.0 43.1 -61.2 -45.1 102.3 163.8 40.9 49 52 A K H X S+ 0 0 2 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.892 111.6 54.8 -67.9 -41.4 100.0 166.7 40.1 50 53 A R H X S+ 0 0 53 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.914 111.7 44.0 -57.8 -47.1 102.8 168.7 38.5 51 54 A A H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.892 113.2 51.1 -66.0 -42.1 103.6 165.8 36.1 52 55 A A H X S+ 0 0 1 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.866 108.4 51.9 -63.8 -38.8 99.9 165.2 35.4 53 56 A A H X S+ 0 0 5 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.854 108.8 51.4 -66.2 -36.2 99.3 168.9 34.6 54 57 A K H X S+ 0 0 51 -4,-1.5 4,-1.4 -5,-0.2 -2,-0.2 0.895 112.8 45.0 -67.4 -40.9 102.3 168.8 32.1 55 58 A V H X S+ 0 0 3 -4,-1.9 4,-1.3 2,-0.2 6,-0.2 0.876 109.8 52.9 -71.8 -41.8 100.9 165.8 30.3 56 59 A N H >X>S+ 0 0 1 -4,-2.4 5,-2.4 1,-0.2 6,-0.8 0.929 108.7 52.4 -59.2 -43.9 97.3 167.0 30.1 57 60 A E H ><5S+ 0 0 35 -4,-1.7 3,-0.9 1,-0.2 -1,-0.2 0.875 106.1 53.3 -58.5 -41.8 98.6 170.2 28.6 58 61 A D H 3<5S+ 0 0 79 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.756 109.4 48.1 -66.7 -27.9 100.5 168.2 25.9 59 62 A L H <<5S- 0 0 38 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.462 117.6-113.0 -91.6 -3.3 97.4 166.3 24.9 60 63 A G T <<5S+ 0 0 59 -3,-0.9 -3,-0.2 -4,-0.5 -2,-0.1 0.599 86.1 120.3 82.1 11.5 95.4 169.5 24.7 61 64 A L S - 0 0 53 -2,-0.3 4,-2.5 1,-0.1 3,-0.4 -0.508 27.0-120.8 -82.1 152.8 95.4 175.3 28.5 64 67 A E H > S+ 0 0 151 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.892 111.3 56.7 -60.9 -42.3 98.9 176.6 29.0 65 68 A E H > S+ 0 0 123 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.835 114.3 40.6 -59.5 -33.4 97.9 179.4 31.4 66 69 A K H > S+ 0 0 42 -3,-0.4 4,-2.4 2,-0.2 5,-0.2 0.968 115.2 46.0 -79.4 -58.4 96.3 176.8 33.6 67 70 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.894 115.2 49.0 -51.6 -46.0 98.9 173.9 33.5 68 71 A S H X S+ 0 0 54 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.875 109.7 51.3 -63.4 -40.1 101.8 176.4 34.0 69 72 A A H X S+ 0 0 6 -4,-0.9 4,-1.5 -5,-0.3 -1,-0.2 0.899 111.1 48.6 -64.3 -40.7 100.0 178.1 37.0 70 73 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.917 108.5 53.0 -64.7 -46.2 99.5 174.7 38.6 71 74 A R H X S+ 0 0 37 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.880 109.5 49.7 -58.0 -37.9 103.1 173.6 38.1 72 75 A Q H X S+ 0 0 104 -4,-1.8 4,-0.7 2,-0.2 -1,-0.2 0.810 109.4 51.1 -71.2 -32.3 104.2 176.8 39.8 73 76 A A H X S+ 0 0 1 -4,-1.5 4,-1.3 -3,-0.2 3,-0.4 0.883 109.9 50.7 -71.0 -38.6 101.9 176.2 42.7 74 77 A A H >X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 3,-0.7 0.946 105.4 54.9 -63.2 -49.4 103.3 172.7 43.1 75 78 A D H 3X S+ 0 0 62 -4,-2.2 4,-0.6 1,-0.3 -1,-0.2 0.711 105.2 55.0 -58.2 -22.8 106.9 174.0 43.1 76 79 A E H 3<>S+ 0 0 24 -4,-0.7 5,-1.5 -3,-0.4 6,-0.3 0.831 106.2 49.7 -78.7 -35.9 106.0 176.3 46.0 77 80 A V H X<5S+ 0 0 1 -4,-1.3 3,-1.4 -3,-0.7 5,-0.2 0.875 110.0 52.6 -67.0 -38.4 104.7 173.3 48.0 78 81 A L H 3<5S+ 0 0 48 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.721 103.5 57.8 -68.7 -23.8 108.0 171.6 47.2 79 82 A A T 3<5S- 0 0 64 -4,-0.6 -1,-0.3 -5,-0.2 -2,-0.2 0.177 120.7-109.2 -92.1 15.6 109.9 174.7 48.5 80 83 A G T < 5S+ 0 0 35 -3,-1.4 -3,-0.2 1,-0.1 -2,-0.1 0.928 82.7 124.7 57.4 50.5 108.2 174.3 51.9 81 84 A Q S S+ 0 0 19 -6,-0.3 3,-1.9 -5,-0.2 -5,-0.1 -0.074 71.6 128.0-127.1 33.5 102.6 175.6 52.1 83 86 A D G > S+ 0 0 88 1,-0.3 3,-0.6 2,-0.1 -1,-0.1 0.785 77.0 51.9 -59.3 -31.7 103.5 173.0 54.8 84 87 A D G 3 S+ 0 0 96 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.388 89.0 83.1 -87.3 4.3 100.7 174.3 57.0 85 88 A E G < S+ 0 0 12 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.1 0.300 81.5 65.8 -89.6 7.3 98.2 173.9 54.2 86 89 A F < + 0 0 19 -3,-0.6 -1,-0.2 1,-0.1 -49,-0.1 -0.827 49.6 153.6-132.6 90.5 97.7 170.2 54.8 87 90 A P + 0 0 31 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.400 31.4 126.8 -97.8 2.0 96.0 169.5 58.2 88 91 A L - 0 0 7 1,-0.1 -51,-0.9 10,-0.1 4,-0.1 -0.383 57.1-123.2 -69.2 135.9 94.4 166.1 57.3 89 92 A A B -B 36 0B 13 -59,-0.4 -53,-0.3 -53,-0.2 10,-0.1 -0.198 14.4-122.5 -71.2 161.7 95.1 163.1 59.5 90 93 A I S S+ 0 0 1 -55,-1.9 2,-1.9 -58,-0.2 -54,-0.1 0.829 102.0 78.7 -71.6 -32.7 96.5 159.8 58.3 91 94 A W S S+ 0 0 76 -56,-0.4 -1,-0.2 -59,-0.4 -59,-0.2 -0.534 73.4 101.1 -82.2 77.5 93.4 158.1 59.7 92 95 A Q S S- 0 0 26 -2,-1.9 2,-0.1 1,-0.3 -2,-0.1 -0.258 80.2 -21.4-130.7-145.6 91.0 159.0 56.8 93 96 A T > - 0 0 37 -2,-0.1 3,-1.3 1,-0.1 -1,-0.3 -0.473 58.8-125.7 -71.4 144.7 89.6 157.1 53.8 94 97 A G T 3 S+ 0 0 17 1,-0.3 265,-1.1 263,-0.2 264,-0.3 0.727 108.9 55.9 -63.8 -24.2 91.7 154.1 52.7 95 98 A S T 3 S- 0 0 13 262,-0.2 46,-0.3 264,-0.1 -1,-0.3 0.589 108.7-123.1 -83.2 -12.1 92.0 155.4 49.2 96 99 A G <> + 0 0 0 -3,-1.3 4,-2.1 -6,-0.1 5,-0.1 0.716 62.4 145.3 76.6 22.2 93.5 158.7 50.4 97 100 A T H > + 0 0 37 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.903 67.7 55.8 -55.8 -47.1 90.7 160.7 48.6 98 101 A Q H > S+ 0 0 32 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.932 110.3 44.4 -52.8 -51.0 90.7 163.3 51.4 99 102 A S H > S+ 0 0 3 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.844 113.1 51.9 -64.4 -36.1 94.5 164.0 51.0 100 103 A N H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.954 112.8 44.0 -65.1 -49.6 94.1 164.0 47.2 101 104 A M H X S+ 0 0 11 -4,-3.3 4,-3.2 2,-0.2 5,-0.3 0.894 110.2 57.5 -61.5 -38.4 91.3 166.6 47.4 102 105 A N H X S+ 0 0 3 -4,-2.7 4,-2.1 -5,-0.3 5,-0.2 0.934 109.9 43.2 -56.9 -48.1 93.4 168.5 50.0 103 106 A M H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.887 114.5 52.4 -65.3 -39.4 96.2 168.8 47.5 104 107 A N H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.944 111.3 43.5 -61.7 -52.7 93.7 169.7 44.7 105 108 A E H X S+ 0 0 11 -4,-3.2 4,-2.6 2,-0.2 5,-0.2 0.909 116.8 46.0 -61.2 -46.7 92.0 172.5 46.6 106 109 A V H X S+ 0 0 1 -4,-2.1 4,-1.5 -5,-0.3 -1,-0.2 0.888 116.4 46.7 -64.0 -39.8 95.2 174.0 47.9 107 110 A L H X S+ 0 0 1 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.831 114.7 46.3 -72.5 -33.4 96.8 173.7 44.4 108 111 A A H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 17,-0.4 0.898 110.3 50.8 -76.3 -44.0 93.7 175.2 42.6 109 112 A N H X S+ 0 0 0 -4,-2.6 4,-1.5 -91,-0.3 -2,-0.2 0.918 114.4 45.0 -60.3 -43.5 93.2 178.2 44.9 110 113 A R H X S+ 0 0 62 -4,-1.5 4,-2.2 -5,-0.2 -1,-0.2 0.896 109.2 54.2 -68.5 -42.4 96.9 179.2 44.6 111 114 A A H X S+ 0 0 0 -4,-1.6 4,-0.6 1,-0.2 -1,-0.2 0.807 105.7 56.4 -61.9 -29.7 97.0 178.7 40.8 112 115 A S H ><>S+ 0 0 0 -4,-1.5 5,-2.1 2,-0.2 3,-0.9 0.938 107.1 47.0 -66.8 -47.7 94.0 181.0 40.6 113 116 A E H ><5S+ 0 0 46 -4,-1.5 3,-1.7 1,-0.3 -2,-0.2 0.902 107.5 56.3 -60.3 -44.3 95.9 183.8 42.5 114 117 A L H 3<5S+ 0 0 51 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.699 103.5 57.4 -60.7 -21.4 98.9 183.3 40.3 115 118 A L T <<5S- 0 0 48 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 -0.047 128.6 -97.9 -99.1 28.8 96.6 184.0 37.4 116 119 A G T < 5S+ 0 0 72 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.321 96.5 110.0 73.6 -11.2 95.5 187.4 38.7 117 120 A G < - 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0 0 30 -3,-0.3 2,-0.4 5,-0.1 5,-0.2 -0.351 42.3-152.3 -74.5 153.5 85.7 137.0 61.6 809 355 B N B > -L 812 0L 102 3,-1.1 3,-1.7 -2,-0.1 -2,-0.1 -0.993 47.2 -52.8-131.2 128.9 82.6 137.7 59.5 810 356 B F T 3 S- 0 0 176 -2,-0.4 3,-0.1 1,-0.2 -2,-0.0 -0.200 120.1 -2.1 51.3-120.8 79.0 138.0 60.6 811 357 B E T 3 S+ 0 0 99 1,-0.1 2,-0.4 -86,-0.0 -1,-0.2 0.601 128.5 40.8 -79.5 -13.6 77.8 135.0 62.7 812 358 B L B < -L 809 0L 31 -3,-1.7 -3,-1.1 -86,-0.2 2,-0.5 -0.971 61.5-144.7-148.1 130.7 80.9 132.9 62.6 813 359 B N - 0 0 0 -88,-1.4 3,-0.4 -2,-0.4 2,-0.1 -0.770 16.7-166.3 -84.7 123.8 84.7 133.3 62.8 814 360 B V + 0 0 65 -2,-0.5 -259,-0.2 -7,-0.3 -260,-0.2 -0.350 68.8 79.1-112.4 54.2 86.3 130.7 60.4 815 361 B F > + 0 0 80 -261,-0.2 4,-1.6 -2,-0.1 3,-0.3 0.090 56.6 118.2-137.1 14.8 89.9 130.8 61.5 816 362 B R H > + 0 0 3 -262,-1.4 4,-2.5 -3,-0.4 5,-0.3 0.837 66.3 55.1 -56.8 -47.8 89.5 128.6 64.6 817 363 B P H > S+ 0 0 5 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.916 112.1 46.3 -55.5 -40.9 91.7 125.6 63.8 818 364 B M H > S+ 0 0 36 -3,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.862 112.1 51.1 -68.7 -37.5 94.7 128.0 63.3 819 365 B V H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.923 112.2 43.8 -67.7 -47.2 93.9 129.9 66.5 820 366 B I H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.825 109.7 57.7 -69.8 -31.8 93.7 126.9 68.8 821 367 B H H X S+ 0 0 31 -4,-1.6 4,-1.7 -5,-0.3 -1,-0.2 0.965 113.0 39.0 -61.5 -51.6 96.8 125.3 67.2 822 368 B N H X S+ 0 0 16 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.858 116.6 51.4 -67.1 -37.9 98.9 128.4 68.1 823 369 B F H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.946 112.9 43.2 -65.9 -50.0 97.3 128.9 71.5 824 370 B L H X S+ 0 0 1 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.809 111.8 54.7 -67.5 -29.6 97.8 125.3 72.7 825 371 B Q H X S+ 0 0 43 -4,-1.7 4,-2.6 -5,-0.3 -1,-0.2 0.933 107.5 50.4 -68.2 -43.9 101.4 125.2 71.3 826 372 B S H X S+ 0 0 0 -4,-1.9 4,-2.9 1,-0.2 5,-0.3 0.871 109.7 50.5 -60.5 -40.7 102.2 128.4 73.3 827 373 B V H X S+ 0 0 1 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.905 110.9 48.4 -65.8 -41.3 100.8 126.8 76.5 828 374 B R H X S+ 0 0 93 -4,-2.0 4,-2.9 2,-0.2 5,-0.4 0.923 114.5 47.7 -63.1 -43.7 102.8 123.6 76.0 829 375 B L H X S+ 0 0 41 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.953 115.2 41.6 -62.1 -54.9 105.9 125.7 75.4 830 376 B L H X S+ 0 0 0 -4,-2.9 4,-1.7 2,-0.2 -1,-0.2 0.863 119.8 47.0 -63.6 -34.0 105.5 128.0 78.4 831 377 B A H X S+ 0 0 2 -4,-2.3 4,-1.9 -5,-0.3 -2,-0.2 0.989 119.4 35.1 -70.7 -61.8 104.5 125.1 80.5 832 378 B D H X S+ 0 0 99 -4,-2.9 4,-2.1 -5,-0.2 5,-0.2 0.741 116.5 59.3 -63.8 -27.1 107.2 122.6 79.6 833 379 B G H X S+ 0 0 5 -4,-2.1 4,-2.1 -5,-0.4 -1,-0.2 0.934 107.6 41.8 -68.7 -49.2 109.7 125.4 79.3 834 380 B M H X S+ 0 0 0 -4,-1.7 4,-1.7 -5,-0.2 -2,-0.2 0.852 113.4 56.2 -66.5 -35.4 109.4 126.7 82.8 835 381 B E H X S+ 0 0 65 -4,-1.9 4,-2.2 2,-0.2 5,-0.2 0.961 113.1 36.9 -62.3 -54.4 109.4 123.1 84.1 836 382 B S H X S+ 0 0 37 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.883 115.2 55.8 -67.2 -36.7 112.7 122.0 82.5 837 383 B F H <>S+ 0 0 2 -4,-2.1 5,-3.1 -5,-0.2 4,-0.3 0.834 111.5 46.8 -63.4 -31.9 114.2 125.5 83.2 838 384 B N H ><>S+ 0 0 15 -4,-1.7 5,-2.2 3,-0.2 3,-1.0 0.989 118.9 34.0 -73.0 -62.8 113.3 125.0 86.9 839 385 B K H 3<5S+ 0 0 115 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.633 126.2 42.4 -70.1 -17.2 114.5 121.4 87.5 840 386 B H T 3<5S- 0 0 78 -4,-2.0 -1,-0.2 -5,-0.2 -57,-0.2 0.241 137.9 -6.6-114.3 12.4 117.5 121.7 85.2 841 387 B C T X 5S+ 0 0 3 -3,-1.0 3,-0.8 -4,-0.3 4,-0.5 0.199 118.6 62.6-163.8 -62.6 118.7 125.2 86.0 842 388 B A T 3 + 0 0 46 -83,-2.5 4,-2.7 -2,-0.3 5,-0.3 -0.649 27.7 178.7 -95.0 74.7 130.3 132.8 92.6 849 395 B R H > S+ 0 0 128 -2,-1.3 4,-2.2 1,-0.2 -1,-0.2 0.827 73.8 54.2 -45.1 -45.5 131.1 134.7 95.8 850 396 B E H > S+ 0 0 131 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.967 114.4 38.2 -58.3 -55.2 134.8 135.1 95.0 851 397 B R H > S+ 0 0 42 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.864 112.5 57.0 -65.3 -40.1 134.3 136.7 91.6 852 398 B I H X S+ 0 0 1 -4,-2.7 4,-1.4 1,-0.2 -211,-0.3 0.926 110.4 45.8 -56.9 -43.3 131.3 138.8 92.7 853 399 B N H X S+ 0 0 83 -4,-2.2 4,-1.7 -5,-0.3 -1,-0.2 0.845 107.4 57.4 -68.6 -34.6 133.6 140.3 95.4 854 400 B Q H X S+ 0 0 87 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.865 107.2 49.3 -63.7 -35.8 136.4 140.8 92.9 855 401 B L H < S+ 0 0 3 -4,-2.0 4,-0.5 2,-0.2 -1,-0.2 0.836 106.2 55.2 -72.4 -34.7 134.1 142.9 90.7 856 402 B L H < S+ 0 0 2 -4,-1.4 3,-0.5 1,-0.2 6,-0.3 0.900 111.1 45.1 -64.1 -42.7 132.9 145.1 93.6 857 403 B N H < S+ 0 0 102 -4,-1.7 32,-0.5 1,-0.2 33,-0.2 0.903 111.5 50.3 -69.0 -44.1 136.5 146.0 94.5 858 404 B E S < S+ 0 0 65 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.515 97.1 94.2 -74.3 -3.6 137.6 146.8 91.0 859 405 B S - 0 0 0 -4,-0.5 30,-0.5 -3,-0.5 3,-0.1 -0.355 65.9-149.5 -84.3 167.5 134.6 149.0 90.4 860 406 B L S > S+ 0 0 13 28,-0.1 3,-1.8 -2,-0.1 4,-0.1 0.463 79.0 91.6-111.6 -8.3 134.5 152.8 90.9 861 407 B M G > S+ 0 0 13 1,-0.3 3,-0.7 2,-0.1 -1,-0.1 0.623 73.6 68.1 -63.6 -16.1 130.8 152.8 91.9 862 408 B L G > + 0 0 19 -6,-0.3 3,-1.8 1,-0.2 -1,-0.3 0.460 69.9 98.8 -84.0 0.4 131.7 152.5 95.6 863 409 B V G X + 0 0 0 -3,-1.8 3,-1.5 1,-0.3 4,-0.3 0.738 65.6 73.2 -59.8 -24.6 133.2 156.0 95.6 864 410 B T G X S+ 0 0 66 -3,-0.7 3,-1.1 1,-0.3 4,-0.5 0.724 83.5 68.5 -64.6 -20.9 130.0 157.5 97.1 865 411 B A G < S+ 0 0 29 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.704 92.8 59.3 -71.0 -20.3 130.9 155.9 100.5 866 412 B L G <> S+ 0 0 0 -3,-1.5 4,-2.4 -4,-0.3 5,-0.5 0.538 86.5 82.1 -85.1 -7.2 133.8 158.3 100.8 867 413 B N H <> S+ 0 0 45 -3,-1.1 4,-1.9 -4,-0.3 -1,-0.2 0.938 86.9 48.2 -64.5 -53.9 131.6 161.4 100.6 868 414 B T H 4 S+ 0 0 129 -4,-0.5 -1,-0.2 1,-0.2 -2,-0.1 0.608 119.9 42.6 -66.2 -9.4 130.3 161.7 104.2 869 415 B H H 4 S+ 0 0 90 -3,-0.4 -2,-0.2 -4,-0.2 -1,-0.2 0.830 132.8 8.3-103.6 -43.2 133.9 161.3 105.4 870 416 B I H < S- 0 0 34 -4,-2.4 4,-0.3 1,-0.1 -3,-0.2 0.457 107.8 -97.2-121.4 -3.5 136.2 163.4 103.2 871 417 B G X - 0 0 31 -4,-1.9 4,-2.2 -5,-0.5 3,-0.3 0.201 31.5 -89.4 97.2 143.5 133.8 165.4 101.0 872 418 B Y H > S+ 0 0 102 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.851 120.3 55.0 -52.4 -45.9 132.4 165.0 97.5 873 419 B D H > S+ 0 0 132 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.892 111.0 42.3 -59.3 -46.5 135.2 166.9 95.8 874 420 B K H > S+ 0 0 100 -4,-0.3 4,-2.5 -3,-0.3 -1,-0.2 0.897 116.0 50.8 -67.7 -38.6 138.0 164.8 97.2 875 421 B A H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.910 110.2 49.5 -63.4 -43.4 135.9 161.7 96.5 876 422 B A H X S+ 0 0 9 -4,-3.1 4,-2.7 2,-0.2 -2,-0.2 0.924 110.2 50.7 -61.7 -45.2 135.4 162.8 92.9 877 423 B E H X S+ 0 0 90 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.933 107.6 53.0 -57.7 -49.5 139.1 163.4 92.4 878 424 B I H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.900 112.7 44.8 -52.4 -46.1 140.0 160.0 93.8 879 425 B A H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.894 111.3 51.9 -67.3 -42.2 137.5 158.4 91.3 880 426 B K H X S+ 0 0 88 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.863 113.8 44.9 -63.9 -35.3 138.7 160.6 88.3 881 427 B K H X S+ 0 0 47 -4,-2.5 4,-2.8 2,-0.2 5,-0.4 0.966 110.1 52.9 -71.4 -53.4 142.4 159.6 89.1 882 428 B A H X>S+ 0 0 0 -4,-2.6 5,-2.5 1,-0.2 4,-0.7 0.806 114.2 45.6 -50.9 -34.4 141.5 155.9 89.5 883 429 B H H <5S+ 0 0 59 -4,-1.8 3,-0.3 3,-0.2 -1,-0.2 0.947 111.9 47.6 -75.7 -53.0 139.8 156.0 86.1 884 430 B K H <5S+ 0 0 129 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.896 124.1 33.0 -56.1 -42.5 142.5 157.9 84.2 885 431 B E H <5S- 0 0 114 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.521 108.7-118.4 -95.0 -6.7 145.3 155.7 85.5 886 432 B G T <5 + 0 0 52 -4,-0.7 2,-0.2 -5,-0.4 -3,-0.2 0.931 63.3 140.2 69.8 48.7 143.3 152.4 85.7 887 433 B L < - 0 0 54 -5,-2.5 -1,-0.2 -6,-0.2 2,-0.2 -0.666 55.3 -99.1-117.3 171.0 143.7 151.9 89.5 888 434 B T > - 0 0 54 -2,-0.2 4,-2.5 1,-0.1 5,-0.3 -0.558 36.1-112.4 -84.8 155.3 141.5 150.7 92.3 889 435 B L H > S+ 0 0 4 -32,-0.5 4,-1.8 -30,-0.5 5,-0.1 0.811 119.9 55.7 -57.2 -28.8 139.8 153.2 94.5 890 436 B K H > S+ 0 0 50 -33,-0.2 4,-2.2 2,-0.2 5,-0.2 0.984 109.3 43.1 -65.9 -58.6 142.0 151.9 97.3 891 437 B A H > S+ 0 0 43 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.880 116.8 46.7 -55.0 -47.3 145.3 152.5 95.4 892 438 B A H X S+ 0 0 0 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.887 111.3 51.0 -64.3 -43.0 144.2 156.0 94.1 893 439 B A H X>S+ 0 0 0 -4,-1.8 5,-1.7 -5,-0.3 6,-0.7 0.870 114.6 44.5 -62.8 -37.7 143.0 157.1 97.5 894 440 B L H <5S+ 0 0 65 -4,-2.2 -2,-0.2 3,-0.2 -1,-0.2 0.809 106.1 61.5 -76.0 -31.0 146.3 156.0 99.0 895 441 B A H <5S+ 0 0 63 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.824 109.8 39.9 -64.6 -35.6 148.3 157.6 96.2 896 442 B L H <5S- 0 0 53 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.632 108.3-128.3 -86.9 -17.6 147.0 161.1 97.0 897 443 B G T <5 + 0 0 59 -4,-0.7 -3,-0.2 -5,-0.2 3,-0.1 0.824 64.8 135.7 73.0 33.9 147.3 160.4 100.8 898 444 B Y S > - 0 0 55 -2,-0.3 4,-1.6 -3,-0.1 3,-0.7 -0.369 33.1-110.9 -86.0 170.6 144.9 155.3 105.2 901 447 B E H 3> S+ 0 0 105 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.875 118.3 60.9 -69.3 -35.5 144.1 151.8 104.2 902 448 B A H 34 S+ 0 0 73 1,-0.2 -1,-0.2 2,-0.2 5,-0.0 0.642 108.6 45.4 -64.6 -15.9 142.7 151.1 107.7 903 449 B E H X> S+ 0 0 75 -3,-0.7 4,-3.1 2,-0.1 3,-0.8 0.789 109.6 51.3 -96.0 -36.6 140.2 153.8 106.9 904 450 B F H 3X S+ 0 0 21 -4,-1.6 4,-1.5 1,-0.2 -2,-0.2 0.970 107.2 54.0 -65.0 -50.8 139.2 152.8 103.4 905 451 B D H 3< S+ 0 0 79 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.1 0.517 118.2 38.0 -62.6 -4.1 138.5 149.2 104.6 906 452 B S H <4 S+ 0 0 73 -3,-0.8 -2,-0.2 -5,-0.2 -1,-0.2 0.768 117.3 44.6-109.1 -53.1 136.2 150.6 107.2 907 453 B W H < S+ 0 0 66 -4,-3.1 2,-2.0 1,-0.2 -3,-0.2 0.956 103.3 61.1 -59.4 -62.0 134.4 153.5 105.5 908 454 B V < + 0 0 13 -4,-1.5 -1,-0.2 -5,-0.2 -42,-0.1 -0.522 68.2 166.2 -73.7 83.3 133.5 152.0 102.1 909 455 B R > - 0 0 117 -2,-2.0 3,-1.8 1,-0.1 -4,-0.0 -0.884 25.3-159.5-103.5 100.6 131.3 149.2 103.6 910 456 B P T 3 S+ 0 0 25 0, 0.0 -1,-0.1 0, 0.0 -270,-0.1 0.633 79.2 84.2 -54.6 -17.4 129.3 147.8 100.6 911 457 B E T 3 S+ 0 0 94 1,-0.1 2,-0.8 -272,-0.1 -258,-0.1 0.708 77.9 77.4 -59.9 -21.7 126.7 146.3 102.9 912 458 B Q < 0 0 136 -3,-1.8 -1,-0.1 0, 0.0 -3,-0.1 -0.827 360.0 360.0 -96.3 104.5 125.0 149.8 102.8 913 459 B M 0 0 111 -2,-0.8 -261,-0.1 -263,-0.1 -260,-0.0 -0.945 360.0 360.0-142.7 360.0 123.1 150.2 99.5