==== 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 23-MAR-04 1VDK . COMPND 2 MOLECULE: FUMARATE HYDRATASE CLASS II; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR H.MIZUTANI,N.KUNISHIMA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS . 915 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39150.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 657 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 4.2 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 . 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 . 28 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 93 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 452 49.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 2.3 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 3 3 0 5 1 3 0 0 0 3 0 2 0 0 4 2 2 0 0 2 2 2 0 1 1 0 0 RESIDUES PER ALPHA HELIX . 1 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 2 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 ANTIPARALLEL BRIDGES PER LADDER . 7 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 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 R 0 0 60 0, 0.0 11,-2.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 146.1 41.5 -29.6 39.7 2 5 A I E +A 11 0A 101 9,-0.2 2,-0.3 7,-0.1 9,-0.2 -0.778 360.0 176.9 -91.3 126.7 38.2 -27.6 39.8 3 6 A E E -A 10 0A 6 7,-2.7 7,-3.0 -2,-0.5 2,-0.3 -0.897 8.8-157.5-124.6 155.6 38.3 -24.4 41.8 4 7 A R E +A 9 0A 112 -2,-0.3 16,-0.3 5,-0.2 2,-0.3 -0.958 15.6 174.5-139.0 155.7 35.6 -21.7 42.2 5 8 A D E > -A 8 0A 20 3,-2.2 3,-1.5 -2,-0.3 -2,-0.0 -0.796 59.8 -74.4-140.5-179.3 35.1 -18.1 43.1 6 9 A T T 3 S+ 0 0 153 1,-0.3 3,-0.1 -2,-0.3 -2,-0.0 0.710 130.8 54.7 -56.2 -20.2 32.0 -15.9 43.1 7 10 A M T 3 S- 0 0 148 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.709 119.4 -91.0 -87.5 -21.9 32.1 -15.8 39.3 8 11 A G E < -A 5 0A 28 -3,-1.5 -3,-2.2 2,-0.0 2,-0.3 -0.944 53.4 -38.7 145.8-166.9 32.1 -19.5 38.8 9 12 A E E +A 4 0A 129 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.734 47.4 176.0-100.6 146.7 34.2 -22.6 38.4 10 13 A V E -A 3 0A 24 -7,-3.0 -7,-2.7 -2,-0.3 2,-0.4 -0.945 30.6-107.4-142.7 161.9 37.5 -22.9 36.5 11 14 A R E +A 2 0A 218 -2,-0.3 -9,-0.2 -9,-0.2 8,-0.0 -0.795 34.1 178.5 -96.7 132.9 40.2 -25.5 35.9 12 15 A V - 0 0 7 -11,-2.6 8,-0.1 -2,-0.4 7,-0.0 -0.918 43.9 -79.6-128.5 154.2 43.6 -25.2 37.5 13 16 A P > - 0 0 51 0, 0.0 3,-1.8 0, 0.0 5,-0.1 -0.306 36.3-134.8 -54.9 130.7 46.7 -27.5 37.3 14 17 A A T 3 S+ 0 0 76 1,-0.3 -12,-0.0 3,-0.1 -3,-0.0 0.742 104.6 52.3 -60.4 -24.4 46.1 -30.5 39.7 15 18 A D T 3 S+ 0 0 117 -14,-0.0 2,-0.3 2,-0.0 -1,-0.3 0.421 96.7 83.2 -93.0 0.7 49.7 -30.1 41.0 16 19 A K < - 0 0 49 -3,-1.8 70,-0.1 2,-0.1 -4,-0.1 -0.808 66.1-148.5-106.2 148.4 49.4 -26.4 41.8 17 20 A Y + 0 0 36 -2,-0.3 93,-0.3 66,-0.1 104,-0.1 0.422 62.0 105.1 -95.2 1.6 47.9 -25.0 45.0 18 21 A W - 0 0 12 1,-0.1 2,-0.1 -5,-0.1 85,-0.1 -0.206 57.1-138.1 -76.9 173.0 46.4 -21.8 43.7 19 22 A G > - 0 0 0 83,-0.2 4,-2.0 -16,-0.1 5,-0.1 -0.264 34.4 -65.0-115.7-157.6 42.7 -21.2 43.1 20 23 A A H > S+ 0 0 1 -16,-0.3 4,-2.4 1,-0.2 5,-0.2 0.884 123.7 49.1 -62.6 -45.6 40.2 -19.6 40.7 21 24 A Q H > S+ 0 0 54 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.814 111.1 51.3 -69.5 -26.7 41.1 -16.0 41.0 22 25 A T H > S+ 0 0 0 80,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.934 110.3 49.9 -71.7 -44.7 44.8 -16.8 40.4 23 26 A Q H X S+ 0 0 17 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.900 109.7 50.2 -59.9 -43.2 43.8 -18.8 37.3 24 27 A R H X S+ 0 0 57 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.943 112.7 46.3 -62.2 -46.2 41.7 -15.9 35.9 25 28 A S H X S+ 0 0 4 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.905 109.1 56.6 -61.6 -40.6 44.6 -13.5 36.4 26 29 A L H < S+ 0 0 29 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.910 116.7 34.8 -54.5 -46.4 47.0 -15.9 34.9 27 30 A E H < S+ 0 0 102 -4,-2.1 3,-0.3 -5,-0.2 -2,-0.2 0.803 120.2 46.5 -82.4 -32.2 44.9 -16.1 31.7 28 31 A N H < S+ 0 0 110 -4,-2.9 2,-0.2 1,-0.2 -2,-0.2 0.604 110.1 50.7 -89.4 -13.4 43.7 -12.5 31.6 29 32 A F < + 0 0 60 -4,-1.9 2,-1.8 -5,-0.2 61,-0.3 -0.566 55.5 158.6-126.4 69.2 46.9 -10.6 32.2 30 33 A R + 0 0 147 -3,-0.3 2,-0.5 -2,-0.2 3,-0.1 -0.479 31.9 133.3 -87.9 64.0 49.5 -12.0 29.9 31 34 A I S S- 0 0 88 -2,-1.8 61,-0.5 61,-0.2 60,-0.1 -0.954 79.2 -14.7-123.1 110.9 51.6 -8.9 30.2 32 35 A G S > S+ 0 0 30 -2,-0.5 4,-2.5 58,-0.1 59,-0.2 0.845 78.3 159.8 68.1 37.0 55.4 -9.3 30.8 33 36 A T T 4 + 0 0 54 1,-0.2 4,-0.2 2,-0.2 -2,-0.1 0.825 68.3 49.0 -61.3 -32.3 55.0 -13.0 31.7 34 37 A D T 4 S+ 0 0 157 1,-0.1 3,-0.2 2,-0.1 -1,-0.2 0.930 128.2 15.1 -75.4 -46.2 58.6 -13.8 31.1 35 38 A R T 4 S+ 0 0 209 1,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.575 119.8 59.6-107.4 -11.9 60.4 -11.0 33.0 36 39 A F < + 0 0 56 -4,-2.5 55,-2.6 2,-0.0 56,-0.3 -0.112 56.2 148.5-115.6 40.7 57.8 -9.5 35.3 37 40 A R B -B 90 0B 129 53,-0.2 53,-0.3 -3,-0.2 3,-0.1 -0.464 68.7 -83.0 -65.9 144.7 56.5 -12.3 37.5 38 41 A M - 0 0 8 51,-2.7 -1,-0.1 1,-0.1 5,-0.1 -0.243 58.3 -95.8 -51.2 130.9 55.6 -10.7 40.9 39 42 A P >> - 0 0 13 0, 0.0 4,-1.3 0, 0.0 3,-0.8 -0.223 23.0-137.7 -51.1 133.3 58.7 -10.3 43.0 40 43 A L H 3> S+ 0 0 68 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.755 102.5 69.9 -66.6 -22.2 59.1 -13.2 45.4 41 44 A E H 3> S+ 0 0 58 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.915 101.2 46.2 -59.6 -39.4 60.1 -10.6 48.0 42 45 A I H <> S+ 0 0 0 -3,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.882 112.2 50.3 -69.2 -38.5 56.5 -9.5 48.0 43 46 A I H X S+ 0 0 2 -4,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.935 112.0 46.5 -65.1 -46.8 55.3 -13.1 48.1 44 47 A R H X S+ 0 0 80 -4,-3.2 4,-1.9 1,-0.2 -2,-0.2 0.918 113.3 49.4 -62.1 -44.1 57.5 -13.9 51.1 45 48 A A H X S+ 0 0 1 -4,-2.2 4,-2.4 -5,-0.3 -1,-0.2 0.874 107.9 54.3 -63.4 -35.7 56.4 -10.7 52.9 46 49 A Y H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 -1,-0.2 0.868 105.1 54.6 -65.7 -34.0 52.8 -11.6 52.2 47 50 A G H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.915 108.5 47.8 -63.5 -41.7 53.5 -14.9 53.9 48 51 A M H X S+ 0 0 22 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.901 113.1 49.4 -63.9 -41.5 54.7 -13.0 56.9 49 52 A L H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.925 111.0 47.1 -64.9 -47.0 51.6 -10.8 56.8 50 53 A K H X S+ 0 0 1 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.832 111.4 52.8 -66.5 -30.6 49.2 -13.7 56.5 51 54 A K H X S+ 0 0 52 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.935 112.6 43.9 -67.8 -46.0 50.9 -15.5 59.4 52 55 A A H X S+ 0 0 6 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.861 112.4 54.1 -66.1 -35.7 50.6 -12.4 61.6 53 56 A A H X S+ 0 0 1 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.915 110.1 45.1 -65.3 -44.4 47.0 -11.9 60.4 54 57 A A H X S+ 0 0 3 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.905 114.1 50.5 -65.7 -40.9 46.0 -15.5 61.4 55 58 A R H X S+ 0 0 104 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.924 113.6 45.1 -62.0 -44.6 47.9 -15.0 64.7 56 59 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 6,-0.2 0.935 112.9 49.0 -66.2 -48.0 46.1 -11.7 65.4 57 60 A N H <>S+ 0 0 2 -4,-3.0 5,-3.0 1,-0.2 6,-1.0 0.879 112.0 49.8 -61.5 -36.0 42.6 -13.0 64.4 58 61 A L H ><5S+ 0 0 42 -4,-2.3 3,-1.2 4,-0.2 -1,-0.2 0.932 111.0 48.8 -66.2 -45.8 43.1 -16.1 66.6 59 62 A E H 3<5S+ 0 0 135 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.847 114.6 46.7 -61.7 -33.9 44.2 -13.9 69.5 60 63 A L T 3<5S- 0 0 34 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.386 116.5-111.7 -91.0 2.3 41.2 -11.7 69.0 61 64 A G T < 5S+ 0 0 61 -3,-1.2 -3,-0.2 -4,-0.3 -4,-0.1 0.620 85.2 119.1 78.3 14.0 38.7 -14.5 68.6 62 65 A E S - 0 0 69 0, 0.0 4,-2.6 0, 0.0 5,-0.2 -0.431 30.1-120.9 -72.5 148.5 39.0 -20.9 65.3 65 68 A E H > S+ 0 0 115 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.931 108.5 52.4 -52.7 -54.1 42.1 -22.4 66.8 66 69 A E H > S+ 0 0 87 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.941 116.0 36.8 -48.3 -62.7 42.2 -25.4 64.4 67 70 A I H > S+ 0 0 11 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.885 115.4 55.0 -62.4 -41.8 42.1 -23.4 61.2 68 71 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.932 107.5 49.0 -59.4 -47.9 44.2 -20.6 62.5 69 72 A K H X S+ 0 0 126 -4,-2.8 4,-1.9 -5,-0.2 -1,-0.2 0.874 111.5 49.8 -60.2 -38.7 47.1 -22.9 63.5 70 73 A A H X S+ 0 0 3 -4,-1.6 4,-2.7 -5,-0.3 -1,-0.2 0.911 111.1 49.1 -66.6 -42.9 47.0 -24.6 60.1 71 74 A I H X S+ 0 0 1 -4,-2.4 4,-3.2 1,-0.2 5,-0.2 0.911 109.4 52.6 -62.2 -43.4 47.1 -21.2 58.3 72 75 A I H X S+ 0 0 40 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.898 111.6 46.1 -60.2 -40.9 50.0 -20.1 60.4 73 76 A Q H X S+ 0 0 92 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.936 114.6 47.1 -66.7 -46.5 51.9 -23.2 59.5 74 77 A A H X S+ 0 0 1 -4,-2.7 4,-1.3 1,-0.2 -2,-0.2 0.891 111.9 50.6 -61.6 -42.2 51.1 -22.8 55.8 75 78 A A H X S+ 0 0 0 -4,-3.2 4,-2.2 1,-0.2 -1,-0.2 0.901 107.2 53.7 -64.2 -41.3 52.0 -19.2 55.8 76 79 A E H X S+ 0 0 48 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.853 104.4 55.8 -62.3 -34.9 55.4 -19.9 57.5 77 80 A E H <>S+ 0 0 26 -4,-1.6 5,-2.3 2,-0.2 6,-0.4 0.867 106.6 50.8 -65.4 -34.5 56.1 -22.4 54.7 78 81 A V H ><5S+ 0 0 1 -4,-1.3 3,-2.0 -3,-0.2 5,-0.2 0.933 107.3 52.7 -67.6 -44.2 55.5 -19.6 52.2 79 82 A V H 3<5S+ 0 0 20 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.866 106.4 54.5 -58.1 -35.9 57.9 -17.3 54.1 80 83 A Q T 3<5S- 0 0 111 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.455 118.4-114.0 -78.5 -0.1 60.5 -20.1 53.9 81 84 A G T X 5S+ 0 0 18 -3,-2.0 3,-1.0 -4,-0.1 -3,-0.2 0.608 76.1 132.5 79.1 13.3 60.1 -20.2 50.1 82 85 A K T 3 S+ 0 0 27 -6,-0.4 3,-2.4 -5,-0.2 -1,-0.2 0.141 73.0 124.0-122.6 21.3 55.7 -22.6 47.7 84 87 A D G X S+ 0 0 30 -3,-1.0 3,-1.2 1,-0.3 -1,-0.1 0.827 71.3 59.9 -50.1 -40.1 57.4 -20.1 45.3 85 88 A D G 3 S+ 0 0 121 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.441 92.0 70.2 -72.6 2.6 56.4 -22.1 42.2 86 89 A H G < S+ 0 0 23 -3,-2.4 -1,-0.3 1,-0.1 -2,-0.1 0.156 81.4 78.6-105.4 19.3 52.7 -21.6 43.1 87 90 A F < + 0 0 7 -3,-1.2 -1,-0.1 1,-0.1 -44,-0.1 -0.888 48.2 157.5-127.9 94.8 52.7 -17.9 42.4 88 91 A P + 0 0 13 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.243 32.8 116.1-103.6 10.9 52.5 -17.5 38.6 89 92 A L - 0 0 3 1,-0.1 -51,-2.7 -52,-0.1 2,-0.1 -0.489 55.7-127.3 -87.6 154.2 51.1 -13.9 38.3 90 93 A V B -B 37 0B 6 -61,-0.3 -53,-0.2 -53,-0.3 3,-0.2 -0.451 20.3-115.4 -94.7 167.4 52.7 -10.8 36.8 91 94 A V S S+ 0 0 2 -55,-2.6 2,-2.0 1,-0.2 270,-0.2 0.873 106.0 72.6 -65.6 -38.0 53.3 -7.3 38.1 92 95 A F S S+ 0 0 73 -61,-0.5 -1,-0.2 -56,-0.3 -61,-0.2 -0.412 75.3 103.1 -84.5 66.5 51.0 -5.9 35.4 93 96 A Q S S- 0 0 18 -2,-2.0 -2,-0.1 1,-0.4 -63,-0.0 -0.142 84.0 -20.3-116.8-149.9 47.7 -7.1 37.0 94 97 A T > - 0 0 38 1,-0.1 3,-1.2 -2,-0.1 -1,-0.4 -0.311 64.4-122.9 -61.4 146.6 45.1 -5.1 38.9 95 98 A G T 3 S+ 0 0 18 1,-0.3 264,-1.6 2,-0.1 -1,-0.1 0.599 109.8 54.5 -70.3 -9.0 46.6 -1.9 40.3 96 99 A S T 3 S- 0 0 9 261,-0.2 -1,-0.3 262,-0.1 45,-0.2 0.535 108.7-120.7 -98.7 -10.4 45.6 -2.9 43.8 97 100 A G <> + 0 0 0 -3,-1.2 4,-2.4 260,-0.1 3,-0.4 0.660 63.9 145.7 78.2 16.2 47.4 -6.2 43.7 98 101 A T H > + 0 0 44 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.860 66.5 54.4 -52.6 -41.9 44.1 -8.0 44.4 99 102 A Q H > S+ 0 0 35 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.893 110.1 44.7 -65.0 -39.0 45.0 -11.0 42.2 100 103 A T H > S+ 0 0 0 -3,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.878 110.7 55.1 -72.8 -35.5 48.3 -11.6 44.1 101 104 A N H X S+ 0 0 2 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.955 112.3 43.4 -60.6 -45.8 46.5 -11.2 47.4 102 105 A M H X S+ 0 0 7 -4,-2.6 4,-3.0 2,-0.2 -1,-0.2 0.826 109.2 57.1 -68.5 -30.0 44.1 -13.9 46.3 103 106 A N H X S+ 0 0 1 -4,-1.7 4,-2.2 2,-0.2 5,-0.2 0.923 111.2 44.5 -64.3 -43.2 46.9 -16.0 45.0 104 107 A V H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 5,-0.3 0.933 114.4 48.6 -66.0 -45.5 48.4 -15.8 48.5 105 108 A N H X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.914 113.3 47.2 -61.6 -42.9 45.0 -16.5 50.1 106 109 A E H X S+ 0 0 8 -4,-3.0 4,-2.3 2,-0.2 5,-0.2 0.903 113.6 45.6 -67.8 -42.6 44.3 -19.5 47.8 107 110 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.2 5,-0.2 0.950 117.0 44.0 -66.5 -48.4 47.7 -21.2 48.2 108 111 A I H X S+ 0 0 1 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.898 114.9 49.9 -63.3 -40.4 47.8 -20.8 52.0 109 112 A A H X S+ 0 0 2 -4,-2.3 4,-2.5 -5,-0.3 16,-0.4 0.892 112.0 47.2 -66.8 -40.9 44.2 -21.9 52.3 110 113 A N H X S+ 0 0 6 -4,-2.3 4,-2.3 -93,-0.3 -2,-0.2 0.937 114.4 45.9 -66.6 -45.0 44.7 -25.0 50.2 111 114 A R H X S+ 0 0 48 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.864 113.1 51.7 -64.4 -35.5 47.9 -26.0 52.0 112 115 A A H X S+ 0 0 0 -4,-2.2 4,-1.5 -5,-0.2 -2,-0.2 0.923 108.5 49.6 -66.6 -45.5 46.1 -25.3 55.3 113 116 A S H <>S+ 0 0 0 -4,-2.5 5,-3.2 12,-0.2 3,-0.3 0.925 112.3 49.4 -58.1 -44.6 43.1 -27.5 54.4 114 117 A E H ><5S+ 0 0 63 -4,-2.3 3,-2.1 1,-0.2 -1,-0.2 0.891 105.7 55.1 -62.0 -42.0 45.6 -30.2 53.4 115 118 A I H 3<5S+ 0 0 45 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.821 107.4 52.5 -61.1 -29.2 47.5 -29.8 56.7 116 119 A L T 3<5S- 0 0 36 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.148 126.5-103.5 -92.3 18.4 44.1 -30.5 58.3 117 120 A G T < 5S+ 0 0 68 -3,-2.1 -3,-0.2 1,-0.2 -2,-0.1 0.707 80.2 133.8 68.7 21.0 43.6 -33.6 56.3 118 121 A K < - 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0 0 31 -4,-0.9 4,-1.9 -5,-0.7 -1,-0.2 0.116 35.2 -86.7 91.5 152.3 107.7 -10.9 12.3 873 418 B Y H > S+ 0 0 157 -5,-0.2 4,-3.5 1,-0.2 5,-0.3 0.880 120.0 62.7 -62.1 -40.9 105.7 -10.7 15.6 874 419 B D H > S+ 0 0 120 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.939 110.4 36.6 -49.7 -57.7 108.6 -11.7 17.8 875 420 B K H > S+ 0 0 88 -4,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.907 117.7 51.9 -64.2 -43.9 110.7 -8.6 16.8 876 421 B A H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.914 109.1 50.1 -59.7 -44.8 107.7 -6.3 16.7 877 422 B A H X S+ 0 0 30 -4,-3.5 4,-2.5 1,-0.2 -1,-0.2 0.875 110.8 50.3 -61.7 -37.9 106.6 -7.4 20.1 878 423 B E H X S+ 0 0 82 -4,-1.7 4,-2.1 -5,-0.3 -1,-0.2 0.873 108.6 52.1 -68.4 -37.7 110.1 -6.7 21.4 879 424 B I H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.943 112.3 45.3 -63.2 -47.9 110.1 -3.3 19.8 880 425 B V H X S+ 0 0 15 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.929 111.5 52.3 -61.2 -46.5 106.8 -2.4 21.5 881 426 B K H X S+ 0 0 155 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.872 112.5 46.1 -58.4 -38.2 108.0 -3.8 24.9 882 427 B K H X S+ 0 0 34 -4,-2.1 4,-3.1 2,-0.2 -2,-0.2 0.942 111.1 51.2 -70.0 -48.5 111.1 -1.7 24.7 883 428 B A H <>S+ 0 0 1 -4,-2.7 5,-2.9 1,-0.2 4,-0.4 0.905 114.3 43.5 -55.2 -46.4 109.3 1.5 23.6 884 429 B L H <5S+ 0 0 52 -4,-2.6 3,-0.5 3,-0.2 -1,-0.2 0.905 115.0 49.4 -67.4 -42.1 106.8 1.2 26.5 885 430 B K H <5S+ 0 0 166 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.902 121.6 33.5 -63.7 -43.6 109.6 0.3 29.0 886 431 B E T <5S- 0 0 85 -4,-3.1 -1,-0.2 -5,-0.1 -2,-0.2 0.318 108.5-121.3 -95.9 6.8 111.8 3.2 28.0 887 432 B K T 5 + 0 0 92 -3,-0.5 2,-0.3 -4,-0.4 -3,-0.2 0.921 67.9 133.3 53.0 49.4 108.9 5.5 27.2 888 433 B K < - 0 0 98 -5,-2.9 -1,-0.2 -6,-0.2 -2,-0.1 -0.805 61.9 -89.0-125.4 166.9 110.1 5.9 23.6 889 434 B T > - 0 0 38 -2,-0.3 4,-2.5 1,-0.1 -30,-0.3 -0.390 36.7-115.8 -72.8 152.4 108.5 5.9 20.2 890 435 B L H > S+ 0 0 0 -32,-2.4 4,-2.4 1,-0.2 5,-0.1 0.840 118.3 54.9 -56.9 -33.1 108.3 2.6 18.4 891 436 B K H > S+ 0 0 41 -33,-0.4 4,-1.2 2,-0.2 -1,-0.2 0.927 107.9 47.5 -66.1 -45.7 110.6 4.1 15.8 892 437 B Q H >> S+ 0 0 66 2,-0.2 4,-2.5 1,-0.2 3,-0.6 0.948 114.0 46.5 -60.4 -50.9 113.2 5.0 18.4 893 438 B A H 3X S+ 0 0 0 -4,-2.5 4,-1.0 1,-0.3 6,-0.2 0.911 110.2 52.9 -58.2 -45.4 113.1 1.5 20.0 894 439 B A H 3<>S+ 0 0 0 -4,-2.4 6,-1.8 -5,-0.2 5,-0.9 0.749 112.0 48.5 -63.0 -23.3 113.3 -0.2 16.6 895 440 B L H X<5S+ 0 0 65 -4,-1.2 3,-0.8 -3,-0.6 -2,-0.2 0.895 106.6 52.0 -83.0 -44.9 116.3 1.9 15.9 896 441 B E H 3<5S+ 0 0 99 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.626 112.5 49.6 -67.3 -12.0 118.2 1.2 19.2 897 442 B L T 3<5S- 0 0 51 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.603 105.0-130.4 -99.4 -17.5 117.6 -2.5 18.4 898 443 B G T < 5S+ 0 0 62 -3,-0.8 -3,-0.2 -4,-0.4 3,-0.1 0.566 74.9 119.3 78.4 8.3 118.9 -2.3 14.9 899 444 B Y S - 0 0 65 -2,-0.3 4,-2.3 -3,-0.1 5,-0.2 -0.437 36.6-106.7 -80.1 158.1 116.5 2.1 10.3 902 447 B E T 4 S+ 0 0 110 1,-0.2 4,-0.3 2,-0.2 -1,-0.1 0.511 124.8 50.7 -62.4 -0.0 114.7 5.4 10.9 903 448 B E T > S+ 0 0 133 2,-0.1 4,-0.7 3,-0.1 -1,-0.2 0.829 106.8 45.9-101.4 -52.7 114.2 5.2 7.2 904 449 B E H >> S+ 0 0 77 1,-0.2 4,-1.5 2,-0.2 3,-0.8 0.853 107.0 62.3 -61.2 -36.5 112.8 1.7 6.7 905 450 B F H >X S+ 0 0 4 -4,-2.3 4,-3.6 1,-0.3 3,-0.7 0.937 100.1 51.4 -55.4 -51.9 110.3 2.2 9.6 906 451 B D H 34 S+ 0 0 76 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.2 0.687 109.6 52.2 -61.3 -18.9 108.6 5.1 7.9 907 452 B R H << S+ 0 0 173 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.758 118.6 34.4 -88.3 -26.9 108.1 2.9 4.8 908 453 B I H << S+ 0 0 36 -4,-1.5 2,-0.9 -3,-0.7 -2,-0.2 0.845 114.2 57.1 -93.4 -42.7 106.5 0.1 6.7 909 454 B V < + 0 0 9 -4,-3.6 -1,-0.2 -5,-0.2 -45,-0.1 -0.806 60.0 163.1 -97.8 100.7 104.6 2.0 9.4 910 455 B V >> - 0 0 42 -2,-0.9 3,-1.8 1,-0.1 4,-0.5 -0.889 22.3-162.2-119.6 96.9 102.2 4.4 7.7 911 456 B P H >> S+ 0 0 26 0, 0.0 4,-1.6 0, 0.0 3,-1.6 0.821 87.3 61.1 -45.5 -42.0 99.5 5.5 10.2 912 457 B M H 3> S+ 0 0 44 1,-0.3 4,-2.4 2,-0.2 -259,-0.0 0.802 94.0 63.6 -60.7 -29.4 97.2 6.8 7.6 913 458 B R H <4 S+ 0 0 163 -3,-1.8 -1,-0.3 1,-0.2 -4,-0.0 0.731 106.3 45.6 -67.1 -20.9 96.9 3.2 6.1 914 459 B L H << S+ 0 0 60 -3,-1.6 -2,-0.2 -4,-0.5 -1,-0.2 0.842 114.6 45.3 -87.9 -38.6 95.3 2.2 9.4 915 460 B A H < S+ 0 0 9 -4,-1.6 -2,-0.2 1,-0.3 -262,-0.2 0.774 128.7 28.7 -74.2 -29.4 92.9 5.1 9.7 916 461 B K S < S+ 0 0 75 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.1 -0.625 74.2 164.6-132.0 71.6 91.9 4.8 6.0 917 462 B P 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.631 360.0 360.0 -63.5 -19.3 92.5 1.0 5.3 918 463 B H 0 0 224 -3,-0.1 -5,-0.1 -4,-0.0 -4,-0.1 0.285 360.0 360.0-105.6 360.0 90.5 1.0 2.1