==== 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 OXIDOREDUCTASE 08-JUL-04 1TYO . COMPND 2 MOLECULE: ISOCITRATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AEROPYRUM PERNIX; . AUTHOR M.KARLSTROM,R.STOKKE,I.H.STEEN,N.BIRKELAND,R.LADENSTEIN . 851 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33586.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 609 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 73 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 7.2 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 . 4 0.5 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 . 53 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 299 35.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.0 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 0 1 3 0 1 5 0 1 1 6 2 2 0 2 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 8 3 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 PARALLEL BRIDGES PER LADDER . 1 3 3 0 2 0 2 0 1 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 . 2 0 1 0 0 0 0 0 0 2 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 6 A S 0 0 152 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -66.6 -34.6 216.7 -273.9 2 7 A P - 0 0 22 0, 0.0 2,-0.2 0, 0.0 70,-0.1 -0.292 360.0-110.6 -60.7 142.7 -33.8 213.5 -275.8 3 8 A P - 0 0 4 0, 0.0 70,-0.4 0, 0.0 79,-0.1 -0.500 30.9-177.7 -82.3 143.9 -31.2 211.3 -273.9 4 9 A a S S+ 0 0 27 -2,-0.2 85,-0.5 77,-0.1 2,-0.3 0.655 72.7 44.0-102.2 -24.6 -27.6 210.6 -274.8 5 10 A T S > S- 0 0 59 84,-0.1 4,-0.6 83,-0.1 3,-0.4 -0.807 82.2-113.5-124.8 161.3 -26.8 208.3 -271.9 6 11 A T T >4 S+ 0 0 71 -2,-0.3 3,-1.4 1,-0.2 -1,-0.1 0.904 116.0 54.7 -54.5 -47.2 -28.4 205.4 -270.0 7 12 A E T 34 S+ 0 0 189 1,-0.3 -1,-0.2 -3,-0.0 0, 0.0 0.798 104.4 55.7 -60.7 -32.5 -28.8 207.4 -266.8 8 13 A E T 34 S+ 0 0 105 -3,-0.4 2,-0.4 -6,-0.0 -1,-0.3 0.613 79.3 116.4 -75.7 -15.6 -30.8 210.1 -268.8 9 14 A L << + 0 0 33 -3,-1.4 -3,-0.0 -4,-0.6 81,-0.0 -0.410 31.2 144.6 -60.6 110.3 -33.3 207.6 -270.1 10 15 A S - 0 0 82 -2,-0.4 83,-0.0 0, 0.0 -3,-0.0 -0.840 45.3-127.3-149.0 122.6 -36.8 208.4 -268.7 11 16 A P - 0 0 42 0, 0.0 59,-0.1 0, 0.0 58,-0.1 -0.277 49.3 -82.1 -60.2 150.3 -40.1 208.0 -270.6 12 17 A P > - 0 0 34 0, 0.0 3,-1.7 0, 0.0 58,-0.0 -0.162 53.2 -93.2 -66.3 152.6 -42.3 211.2 -270.7 13 18 A P T 3 S+ 0 0 145 0, 0.0 55,-0.0 0, 0.0 0, 0.0 0.632 112.4 28.1 -39.5 -53.4 -44.4 211.9 -267.6 14 19 A G T 3 S+ 0 0 37 2,-0.1 2,-0.3 0, 0.0 0, 0.0 -0.007 93.4 107.9-109.3 28.2 -47.9 210.4 -268.3 15 20 A G < - 0 0 18 -3,-1.7 2,-0.4 -4,-0.1 52,-0.1 -0.774 54.9-147.6 -97.6 150.6 -47.1 207.6 -270.6 16 21 A S B -a 31 0A 55 14,-2.8 16,-2.2 -2,-0.3 2,-0.2 -0.951 24.1-108.3-116.1 146.7 -47.2 203.9 -269.5 17 22 A L - 0 0 55 -2,-0.4 2,-0.3 14,-0.2 80,-0.1 -0.421 20.8-122.4 -75.9 137.7 -44.8 201.3 -270.9 18 23 A V - 0 0 3 79,-0.6 2,-0.3 14,-0.4 9,-0.2 -0.618 38.7-155.0 -65.3 134.1 -45.9 198.5 -273.2 19 24 A E E -B 26 0B 95 7,-2.6 7,-3.3 -2,-0.3 2,-0.4 -0.818 16.0-158.5-118.4 157.2 -45.0 195.2 -271.5 20 25 A Y E +B 25 0B 83 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.917 27.3 144.2-138.0 111.1 -44.1 191.7 -272.7 21 26 A S E > +B 24 0B 63 3,-2.0 3,-1.2 -2,-0.4 -2,-0.0 -0.994 63.2 9.3-146.8 141.5 -44.5 188.6 -270.4 22 27 A G T 3 S- 0 0 86 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.848 128.4 -57.5 61.1 39.0 -45.5 185.0 -270.9 23 28 A G T 3 S+ 0 0 56 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.533 115.9 111.6 73.3 10.8 -45.6 185.3 -274.7 24 29 A S E < -B 21 0B 63 -3,-1.2 -3,-2.0 306,-0.0 2,-0.4 -0.954 60.1-141.5-129.6 129.6 -48.1 188.1 -274.5 25 30 A L E -B 20 0B 45 -2,-0.4 2,-0.6 -5,-0.2 -5,-0.2 -0.706 13.9-158.3 -86.2 132.3 -47.8 191.9 -275.3 26 31 A R E -B 19 0B 126 -7,-3.3 -7,-2.6 -2,-0.4 341,-0.0 -0.955 8.0-171.8-115.9 114.6 -49.7 194.2 -272.9 27 32 A V - 0 0 33 -2,-0.6 -9,-0.1 -9,-0.2 -10,-0.1 -0.915 10.9-149.7-108.4 112.9 -50.5 197.6 -274.4 28 33 A P - 0 0 34 0, 0.0 -10,-0.0 0, 0.0 -12,-0.0 -0.252 27.5-111.8 -72.0 168.1 -51.9 200.2 -272.0 29 34 A D S S+ 0 0 85 1,-0.3 37,-2.3 36,-0.1 -2,-0.0 0.503 117.9 45.7 -83.0 -6.6 -54.2 202.9 -273.4 30 35 A N S S+ 0 0 33 35,-0.2 -14,-2.8 -13,-0.1 -1,-0.3 -0.453 89.8 178.5-123.6 58.7 -51.6 205.6 -272.8 31 36 A P B -a 16 0A 0 0, 0.0 37,-2.7 0, 0.0 2,-0.4 -0.335 30.5-124.1 -73.0 138.6 -48.7 203.8 -274.3 32 37 A V E -c 68 0C 0 -16,-2.2 2,-0.4 35,-0.2 -14,-0.4 -0.629 29.4-172.4 -69.4 130.1 -45.2 205.1 -274.6 33 38 A V E -c 69 0C 0 35,-2.3 37,-2.7 -2,-0.4 67,-0.2 -0.962 15.0-139.9-128.9 115.2 -44.1 205.0 -278.2 34 39 A A E -cd 70 100C 0 65,-1.9 67,-2.3 -2,-0.4 2,-0.4 -0.409 18.0-164.7 -65.2 144.0 -40.5 205.9 -279.1 35 40 A F E -cd 71 101C 14 35,-2.7 37,-3.0 65,-0.2 2,-0.5 -0.999 11.4-166.9-132.1 143.4 -39.8 207.9 -282.2 36 41 A I E - d 0 102C 0 65,-2.4 67,-2.4 -2,-0.4 37,-0.1 -0.981 8.0-161.3-127.3 115.6 -36.5 208.5 -284.1 37 42 A R + 0 0 78 35,-0.5 9,-0.3 -2,-0.5 8,-0.1 0.820 30.7 178.5 -67.7 -33.6 -36.5 211.3 -286.6 38 43 A G - 0 0 1 36,-0.4 39,-0.3 4,-0.2 2,-0.2 -0.317 29.1 -40.2 69.0-141.7 -33.4 209.9 -288.4 39 44 A D S > S- 0 0 6 65,-3.1 3,-2.5 3,-0.1 2,-0.2 -0.688 93.6 -0.3-128.7 164.1 -31.9 211.5 -291.5 40 45 A G T 3 S- 0 0 25 1,-0.3 4,-0.3 -2,-0.2 306,-0.2 -0.376 134.0 -5.0 62.0-124.5 -32.7 213.1 -294.8 41 46 A V T 3> S+ 0 0 0 299,-2.3 4,-2.6 1,-0.2 5,-0.3 0.536 113.0 98.6 -76.6 -6.3 -36.5 213.3 -295.3 42 47 A G H <> S+ 0 0 0 -3,-2.5 4,-3.6 1,-0.2 5,-0.3 0.912 78.4 49.3 -50.8 -56.8 -36.9 211.3 -292.0 43 48 A P H > S+ 0 0 35 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.917 114.5 47.1 -51.4 -45.6 -37.6 214.2 -289.7 44 49 A E H > S+ 0 0 30 -4,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.928 117.3 40.2 -63.1 -49.6 -40.3 215.6 -292.1 45 50 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.862 115.1 52.3 -72.3 -33.4 -42.0 212.2 -292.7 46 51 A V H X S+ 0 0 0 -4,-3.6 4,-2.5 -5,-0.3 -2,-0.2 0.948 109.3 50.7 -62.6 -45.6 -41.7 211.3 -289.0 47 52 A E H X S+ 0 0 91 -4,-2.7 4,-1.8 -5,-0.3 -2,-0.2 0.907 112.1 47.6 -57.8 -43.4 -43.3 214.6 -288.0 48 53 A S H X S+ 0 0 3 -4,-1.9 4,-2.3 1,-0.2 5,-0.2 0.930 109.4 52.6 -65.0 -44.0 -46.1 214.0 -290.5 49 54 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.893 108.2 50.9 -59.7 -41.7 -46.7 210.4 -289.2 50 55 A L H X S+ 0 0 21 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.932 112.2 46.6 -61.8 -45.3 -47.0 211.6 -285.5 51 56 A K H X S+ 0 0 90 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.879 114.4 46.7 -61.8 -43.5 -49.6 214.3 -286.5 52 57 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.925 114.2 47.6 -69.4 -43.9 -51.6 211.8 -288.6 53 58 A V H X S+ 0 0 1 -4,-2.6 4,-2.9 -5,-0.2 5,-0.2 0.926 110.8 51.3 -61.6 -44.6 -51.5 209.1 -286.0 54 59 A D H X S+ 0 0 73 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.928 111.8 47.5 -59.2 -43.7 -52.5 211.6 -283.2 55 60 A A H X S+ 0 0 11 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.908 111.3 51.6 -64.4 -42.3 -55.5 212.7 -285.3 56 61 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.928 111.9 45.7 -59.6 -48.1 -56.5 209.1 -286.0 57 62 A V H X S+ 0 0 5 -4,-2.9 4,-2.2 2,-0.2 5,-0.5 0.923 112.2 49.5 -69.1 -40.0 -56.4 208.2 -282.3 58 63 A K H X S+ 0 0 154 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.951 114.7 48.7 -55.1 -47.3 -58.4 211.2 -281.2 59 64 A K H < S+ 0 0 62 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.936 119.1 32.6 -62.2 -53.1 -60.9 210.5 -283.9 60 65 A V H < S+ 0 0 18 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.793 132.7 29.2 -80.1 -23.7 -61.5 206.7 -283.3 61 66 A Y H >< S- 0 0 28 -4,-2.2 3,-2.3 -5,-0.3 -3,-0.2 0.541 83.5-150.1-114.7 -11.9 -61.1 206.7 -279.5 62 67 A G T 3< S- 0 0 67 -4,-2.0 -4,-0.2 -5,-0.5 -3,-0.1 0.758 77.5 -35.7 51.3 38.8 -62.1 210.2 -278.5 63 68 A G T 3 S+ 0 0 64 2,-0.5 -1,-0.3 -6,-0.3 -5,-0.1 0.374 115.9 102.0 99.5 -6.8 -59.9 210.4 -275.4 64 69 A S S < S+ 0 0 80 -3,-2.3 2,-0.3 -7,-0.2 -2,-0.1 0.650 91.6 29.7 -84.5 -12.2 -60.0 206.8 -274.3 65 70 A R + 0 0 64 -8,-0.2 -2,-0.5 -7,-0.1 2,-0.3 -0.986 64.7 170.3-142.2 147.7 -56.6 206.3 -275.8 66 71 A R - 0 0 129 -37,-2.3 2,-0.3 -2,-0.3 -12,-0.1 -0.960 27.9-128.2-157.4 139.6 -53.6 208.5 -276.5 67 72 A I - 0 0 14 -2,-0.3 2,-0.7 -37,-0.2 -35,-0.2 -0.732 13.8-150.1 -88.9 140.2 -50.0 207.8 -277.6 68 73 A V E -c 32 0C 17 -37,-2.7 -35,-2.3 -2,-0.3 2,-0.2 -0.906 20.1-146.0-110.9 97.4 -47.2 209.3 -275.5 69 74 A W E -c 33 0C 41 -2,-0.7 2,-0.5 -37,-0.2 -35,-0.2 -0.446 12.7-165.8 -71.3 132.5 -44.4 210.0 -278.0 70 75 A W E -c 34 0C 13 -37,-2.7 -35,-2.7 -2,-0.2 2,-0.4 -0.950 13.3-141.0-124.0 111.3 -40.8 209.5 -276.7 71 76 A E E +c 35 0C 36 -2,-0.5 2,-0.3 -37,-0.2 -35,-0.2 -0.561 23.2 175.3 -81.1 127.2 -38.0 211.0 -278.8 72 77 A L - 0 0 0 -37,-3.0 -35,-0.5 -2,-0.4 2,-0.4 -0.868 24.5-121.1-120.5 162.0 -34.8 209.0 -279.1 73 78 A L + 0 0 7 -70,-0.4 2,-0.3 -2,-0.3 17,-0.1 -0.868 35.2 152.8-115.5 134.6 -31.8 209.9 -281.3 74 79 A A + 0 0 1 -2,-0.4 3,-0.5 12,-0.1 -36,-0.4 -0.957 57.2 4.5-148.0 144.2 -30.0 208.0 -284.1 75 80 A G S >> S- 0 0 0 10,-2.7 4,-2.1 -2,-0.3 3,-0.8 -0.604 122.5 -3.1 86.3-145.8 -28.1 209.4 -287.0 76 81 A H H 3> S+ 0 0 56 1,-0.3 4,-2.2 -2,-0.2 -1,-0.2 0.768 132.8 51.2 -61.5 -32.8 -27.3 213.1 -287.6 77 82 A L H 3> S+ 0 0 40 -3,-0.5 4,-2.2 -39,-0.3 5,-0.3 0.832 110.9 50.4 -71.9 -32.5 -29.3 214.4 -284.5 78 83 A A H <>>S+ 0 0 0 -3,-0.8 4,-2.1 7,-0.2 6,-1.1 0.876 109.5 50.3 -68.8 -39.5 -27.4 211.9 -282.4 79 84 A R H X5S+ 0 0 130 -4,-2.1 4,-1.3 4,-0.3 -2,-0.2 0.957 113.4 47.0 -62.6 -45.9 -24.1 213.1 -283.8 80 85 A E H <5S+ 0 0 135 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.940 125.8 26.1 -59.3 -53.7 -25.0 216.7 -283.0 81 86 A K H <5S+ 0 0 109 -4,-2.2 -3,-0.2 1,-0.1 -2,-0.2 0.931 137.0 23.6 -79.5 -48.3 -26.2 216.2 -279.5 82 87 A a H <5S- 0 0 32 -4,-2.1 -3,-0.2 -5,-0.3 -2,-0.2 0.530 95.3-121.3-100.9 -13.5 -24.4 213.1 -278.3 83 88 A G S <> - 0 0 0 0, 0.0 4,-1.2 0, 0.0 3,-0.8 -0.318 24.7-127.6 -58.6 141.1 -26.0 205.9 -278.5 88 93 A K H 3> S+ 0 0 144 1,-0.2 4,-2.5 2,-0.2 3,-0.3 0.893 110.6 64.8 -51.8 -41.5 -26.4 202.8 -276.4 89 94 A A H 3> S+ 0 0 1 -85,-0.5 4,-2.6 1,-0.2 -1,-0.2 0.821 96.2 55.6 -51.3 -38.8 -29.2 204.7 -274.6 90 95 A T H <> S+ 0 0 0 -3,-0.8 4,-2.2 2,-0.2 -1,-0.2 0.926 109.0 46.6 -61.5 -45.1 -31.2 204.8 -277.9 91 96 A L H X S+ 0 0 27 -4,-1.2 4,-2.2 -3,-0.3 -2,-0.2 0.936 114.9 46.0 -61.3 -46.9 -31.0 201.0 -278.0 92 97 A E H X S+ 0 0 44 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.853 109.6 57.2 -64.3 -34.4 -31.9 200.6 -274.4 93 98 A G H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.3 5,-0.2 0.923 108.1 44.8 -61.9 -47.4 -34.7 203.2 -275.0 94 99 A I H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 -1,-0.2 0.898 111.9 53.4 -61.2 -44.1 -36.3 201.0 -277.7 95 100 A R H < S+ 0 0 100 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.883 111.6 46.7 -59.5 -38.7 -35.9 197.9 -275.5 96 101 A L H < S+ 0 0 72 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.949 118.3 38.6 -70.8 -48.2 -37.7 199.7 -272.7 97 102 A A H < S- 0 0 0 -4,-2.6 -79,-0.6 -5,-0.1 -2,-0.2 0.817 88.9-153.2 -70.5 -31.7 -40.6 201.1 -274.8 98 103 A R S < S+ 0 0 50 -4,-3.0 234,-2.5 -5,-0.2 2,-0.4 0.210 72.6 68.3 76.9 -17.0 -40.8 197.8 -276.9 99 104 A V E + e 0 332C 0 232,-0.2 -65,-1.9 -67,-0.2 2,-0.3 -0.999 59.2 166.7-138.4 134.6 -42.2 199.9 -279.7 100 105 A A E -de 34 333C 0 232,-1.5 234,-2.6 -2,-0.4 2,-0.5 -0.994 24.4-151.7-151.8 144.1 -40.6 202.5 -281.9 101 106 A L E -de 35 334C 0 -67,-2.3 -65,-2.4 -2,-0.3 2,-0.4 -0.973 28.2-179.0-111.9 128.7 -41.3 204.4 -285.1 102 107 A K E -d 36 0C 0 232,-2.6 -65,-0.2 -2,-0.5 3,-0.1 -0.965 23.4-135.6-135.0 145.7 -38.1 205.6 -287.0 103 108 A G - 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0 0 33 -3,-2.4 -1,-0.2 -6,-0.4 -3,-0.1 -0.642 51.0-135.5 -84.5 137.3 -63.1 183.4 -328.8 828 406 B Q - 0 0 151 -2,-0.3 -12,-0.3 -14,-0.1 -1,-0.0 -0.813 23.9-120.6 -92.7 123.9 -62.9 179.8 -330.0 829 407 B P - 0 0 34 0, 0.0 2,-0.3 0, 0.0 -12,-0.2 -0.301 19.8-136.9 -59.5 138.9 -59.5 178.1 -329.5 830 408 B L - 0 0 35 -14,-3.5 -12,-0.5 1,-0.1 -9,-0.1 -0.696 23.7-111.1 -89.4 154.0 -57.7 176.7 -332.5 831 409 B R > - 0 0 128 -2,-0.3 4,-2.7 -14,-0.1 5,-0.3 -0.371 33.4-101.6 -74.3 161.2 -56.0 173.4 -332.3 832 410 B T H > S+ 0 0 6 -57,-2.0 4,-1.9 1,-0.2 5,-0.1 0.924 124.9 44.7 -47.5 -53.8 -52.2 173.1 -332.3 833 411 B S H > S+ 0 0 48 -58,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.827 111.3 54.0 -63.9 -33.8 -52.2 172.1 -336.0 834 412 B E H > S+ 0 0 68 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.942 108.9 47.6 -68.1 -48.7 -54.7 174.8 -336.9 835 413 B Y H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.861 109.5 54.5 -56.3 -40.6 -52.6 177.5 -335.3 836 414 B T H X S+ 0 0 8 -4,-1.9 4,-1.8 -5,-0.3 -2,-0.2 0.945 110.1 46.1 -61.2 -47.5 -49.5 176.1 -337.2 837 415 B E H X S+ 0 0 127 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.920 110.3 53.8 -59.9 -46.3 -51.4 176.4 -340.5 838 416 B T H X S+ 0 0 26 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.909 108.0 49.7 -54.4 -46.5 -52.6 179.9 -339.7 839 417 B L H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.879 107.9 54.5 -62.2 -40.1 -49.0 181.1 -339.0 840 418 B I H X S+ 0 0 27 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.894 107.7 49.4 -57.3 -47.3 -47.9 179.6 -342.3 841 419 B A H X S+ 0 0 44 -4,-2.1 4,-2.0 1,-0.2 5,-0.2 0.929 108.4 52.6 -61.1 -47.1 -50.5 181.6 -344.2 842 420 B Y H X S+ 0 0 23 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.833 112.6 46.3 -58.9 -34.6 -49.6 184.8 -342.5 843 421 B I H < S+ 0 0 0 -4,-1.6 3,-0.3 2,-0.2 -2,-0.2 0.934 113.2 47.1 -71.9 -48.4 -45.9 184.2 -343.5 844 422 B D H < S+ 0 0 80 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.754 118.1 42.8 -65.2 -27.1 -46.7 183.3 -347.2 845 423 B E H < S+ 0 0 153 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.647 87.7 122.8 -93.4 -21.4 -49.0 186.3 -347.6 846 424 B A < - 0 0 8 -4,-1.0 2,-0.9 -3,-0.3 3,-0.1 0.054 65.1-122.5 -47.3 149.9 -46.9 188.9 -345.8 847 425 B D >> - 0 0 86 1,-0.1 3,-1.9 2,-0.0 4,-1.8 -0.857 20.6-163.6 -93.5 100.2 -45.7 192.2 -347.5 848 426 B L H 3> S+ 0 0 54 -2,-0.9 4,-1.5 1,-0.3 -1,-0.1 0.747 85.3 65.6 -58.2 -27.7 -41.9 192.0 -347.2 849 427 B N H 34 S+ 0 0 154 1,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.715 112.1 34.1 -69.0 -18.6 -41.6 195.7 -348.0 850 428 B E H <4 S+ 0 0 170 -3,-1.9 -2,-0.2 0, 0.0 -1,-0.2 0.744 121.4 44.4-102.8 -31.4 -43.5 196.5 -344.7 851 429 B V H < 0 0 33 -4,-1.8 -3,-0.2 1,-0.1 -2,-0.1 0.932 360.0 360.0 -83.2 -50.0 -42.2 193.7 -342.4 852 430 B L < 0 0 95 -4,-1.5 -1,-0.1 -5,-0.2 -54,-0.1 -0.640 360.0 360.0 -74.3 360.0 -38.5 193.7 -343.2