==== 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 05-APR-07 2YU1 . COMPND 2 MOLECULE: JMJC DOMAIN-CONTAINING HISTONE DEMETHYLATION PROT . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Z.HAN . 386 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17931.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 254 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 14.2 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 . 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 . 36 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.6 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 2 1 2 2 1 0 0 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 1 3 1 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 1 0 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 36 A R 0 0 156 0, 0.0 209,-0.2 0, 0.0 208,-0.1 0.000 360.0 360.0 360.0 80.2 39.8 43.0 26.9 2 37 A T + 0 0 100 207,-2.2 208,-0.2 2,-0.0 2,-0.1 0.814 360.0 74.0 -99.2 -42.6 37.8 45.4 24.7 3 38 A F S S- 0 0 21 206,-0.7 2,-0.8 1,-0.1 3,-0.1 -0.357 89.5-107.4 -74.6 153.2 40.0 48.5 24.9 4 39 A D > - 0 0 88 1,-0.2 4,-1.7 -2,-0.1 3,-0.2 -0.725 25.9-169.4 -86.5 107.6 43.4 48.8 23.1 5 40 A L H > S+ 0 0 15 -2,-0.8 4,-1.4 1,-0.2 5,-0.2 0.904 85.9 61.1 -60.2 -44.2 46.2 48.6 25.7 6 41 A E H > S+ 0 0 99 1,-0.2 4,-1.4 2,-0.2 3,-0.5 0.890 104.3 49.6 -50.5 -43.7 48.7 49.7 23.1 7 42 A E H >> S+ 0 0 84 1,-0.2 4,-2.9 -3,-0.2 3,-0.6 0.938 109.8 50.2 -61.1 -47.1 46.9 52.9 22.6 8 43 A K H 3< S+ 0 0 14 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.681 112.6 50.3 -64.4 -18.0 46.8 53.4 26.4 9 44 A L H 3< S+ 0 0 15 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.684 122.0 26.6 -93.4 -22.9 50.6 52.7 26.4 10 45 A H H << S+ 0 0 124 -4,-1.4 -2,-0.2 -3,-0.6 -3,-0.2 0.651 89.7 98.6-117.2 -21.5 51.6 55.2 23.6 11 46 A T < - 0 0 41 -4,-2.9 2,-0.6 -5,-0.2 3,-0.4 -0.426 67.6-139.5 -64.6 146.0 49.0 58.0 23.5 12 47 A N S S+ 0 0 143 1,-0.2 3,-0.1 -2,-0.0 -1,-0.1 -0.514 72.3 102.5-108.4 64.8 50.5 60.9 25.4 13 48 A K + 0 0 106 -2,-0.6 2,-1.3 1,-0.1 207,-0.2 0.496 53.7 81.3-119.8 -12.1 47.3 62.1 27.2 14 49 A Y + 0 0 11 -3,-0.4 208,-2.0 1,-0.2 174,-0.1 -0.490 56.1 140.0 -93.9 63.2 47.8 60.7 30.7 15 50 A N B +A 221 0A 128 -2,-1.3 206,-0.2 206,-0.2 -1,-0.2 0.133 16.8 140.1 -93.4 15.5 50.0 63.8 31.4 16 51 A A - 0 0 9 204,-2.2 2,-0.5 172,-0.1 3,-0.2 -0.155 52.5-131.0 -55.6 159.2 48.7 64.5 34.9 17 52 A N + 0 0 138 1,-0.1 -1,-0.1 204,-0.1 204,-0.1 -0.674 58.9 127.7-117.6 77.0 51.5 65.5 37.3 18 53 A F + 0 0 40 -2,-0.5 2,-0.2 170,-0.1 -1,-0.1 0.830 45.3 86.5 -97.7 -41.3 51.1 63.4 40.4 19 54 A V - 0 0 3 -3,-0.2 2,-0.5 20,-0.1 22,-0.2 -0.433 61.6-150.9 -71.4 135.5 54.5 61.8 40.9 20 55 A T E -e 41 0B 51 20,-2.4 22,-1.7 -2,-0.2 2,-0.5 -0.915 8.6-147.7-107.1 123.1 57.1 63.7 42.9 21 56 A F E +e 42 0B 102 -2,-0.5 2,-0.3 20,-0.2 22,-0.2 -0.799 33.7 149.3 -93.0 128.5 60.8 63.0 42.1 22 57 A M - 0 0 37 20,-1.8 2,-0.5 -2,-0.5 22,-0.4 -0.913 46.7 -88.6-150.6 177.3 63.2 63.2 45.0 23 58 A E >> - 0 0 117 -2,-0.3 3,-2.3 1,-0.1 4,-0.5 -0.801 32.2-129.3 -95.2 128.9 66.4 62.0 46.6 24 59 A G G >4 S+ 0 0 2 -2,-0.5 3,-1.7 21,-0.4 24,-0.2 0.808 108.1 63.7 -43.0 -36.8 66.2 59.0 49.0 25 60 A K G 34 S+ 0 0 124 22,-0.8 -1,-0.3 1,-0.3 23,-0.1 0.872 96.6 56.3 -59.3 -36.9 68.0 61.1 51.6 26 61 A D G <4 S+ 0 0 65 -3,-2.3 2,-1.4 1,-0.2 -1,-0.3 0.584 85.6 93.6 -71.4 -8.3 65.1 63.5 51.7 27 62 A F << + 0 0 6 -3,-1.7 100,-0.2 -4,-0.5 2,-0.2 -0.595 56.0 130.8 -91.4 78.5 62.8 60.6 52.6 28 63 A N S >> S- 0 0 72 -2,-1.4 4,-1.3 99,-0.1 3,-1.1 -0.649 73.4 -91.0-119.0 176.8 62.7 60.6 56.4 29 64 A V H 3> S+ 0 0 6 352,-0.4 4,-2.5 1,-0.3 352,-0.2 0.728 122.0 62.2 -61.6 -26.5 60.0 60.5 59.0 30 65 A E H 3> S+ 0 0 79 351,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.824 100.9 54.9 -70.0 -28.8 59.8 64.3 59.1 31 66 A Y H <>>S+ 0 0 45 -3,-1.1 4,-3.3 2,-0.2 5,-0.5 0.920 109.6 45.2 -67.2 -46.1 58.7 64.1 55.5 32 67 A I H X5S+ 0 0 0 -4,-1.3 4,-2.5 1,-0.2 -2,-0.2 0.915 113.0 50.2 -64.7 -42.1 55.9 61.8 56.4 33 68 A Q H <5S+ 0 0 10 -4,-2.5 -1,-0.2 1,-0.2 294,-0.2 0.819 116.4 44.7 -64.4 -29.8 54.9 63.9 59.4 34 69 A R H <5S+ 0 0 152 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.913 131.8 15.4 -80.3 -48.3 54.9 66.9 57.1 35 70 A G H <5S- 0 0 31 -4,-3.3 3,-0.2 -5,-0.1 -3,-0.2 0.690 88.9-130.3-102.9 -22.4 53.1 65.5 54.1 36 71 A G << - 0 0 0 -4,-2.5 -4,-0.2 -5,-0.5 -3,-0.1 0.822 57.9 -77.6 75.8 31.0 51.4 62.4 55.4 37 72 A L S S+ 0 0 0 -6,-0.3 198,-0.3 1,-0.1 -1,-0.2 0.879 88.5 142.9 42.3 53.1 52.7 60.2 52.5 38 73 A R + 0 0 73 -3,-0.2 -1,-0.1 196,-0.1 -2,-0.1 0.479 48.9 69.9 -97.0 -6.6 50.0 61.6 50.2 39 74 A D S S- 0 0 67 194,-0.1 2,-0.4 -19,-0.0 -20,-0.1 -0.894 81.3-120.3-117.3 142.7 52.2 61.6 47.0 40 75 A P - 0 0 0 0, 0.0 -20,-2.4 0, 0.0 2,-0.3 -0.635 38.2-152.4 -77.5 134.4 53.5 58.8 44.9 41 76 A L E -eF 20 232B 0 191,-2.1 191,-2.9 -2,-0.4 2,-0.4 -0.822 16.6-163.8-113.7 151.1 57.3 59.0 44.9 42 77 A I E -eF 21 231B 1 -22,-1.7 -20,-1.8 -2,-0.3 2,-0.6 -0.996 1.3-168.7-130.3 124.7 60.1 58.0 42.5 43 78 A F E - F 0 230B 1 187,-2.5 187,-1.8 -2,-0.4 -20,-0.1 -0.956 4.8-169.7-113.4 110.8 63.7 57.7 43.5 44 79 A K S S+ 0 0 117 -2,-0.6 2,-0.3 -22,-0.4 -1,-0.2 0.921 79.9 46.4 -66.3 -39.9 65.9 57.3 40.5 45 80 A N S S- 0 0 110 -23,-0.3 -21,-0.4 -3,-0.1 185,-0.1 -0.780 72.2-146.3-101.7 147.0 68.8 56.5 42.8 46 81 A S >>> + 0 0 49 -2,-0.3 3,-1.0 2,-0.1 2,-0.8 0.323 62.1 128.8 -89.4 9.7 68.6 54.1 45.7 47 82 A D T 345S+ 0 0 108 1,-0.2 -22,-0.8 2,-0.1 -23,-0.2 -0.527 74.2 8.7 -75.5 105.6 71.1 56.4 47.4 48 83 A G T 345S+ 0 0 53 -2,-0.8 -1,-0.2 -24,-0.2 -2,-0.1 0.145 101.2 98.5 116.2 -17.7 70.0 57.4 50.8 49 84 A L T <45S- 0 0 4 -3,-1.0 77,-1.3 76,-0.1 78,-0.5 0.803 83.2-131.6 -70.7 -34.5 67.0 55.1 51.0 50 85 A G T <5 + 0 0 43 -4,-0.6 2,-0.2 1,-0.3 -3,-0.1 0.830 55.2 143.5 83.3 33.7 68.8 52.4 53.1 51 86 A I < - 0 0 28 -5,-0.5 2,-0.4 74,-0.1 -1,-0.3 -0.658 36.2-156.0-102.9 161.7 67.8 49.6 50.9 52 87 A K B -L 123 0C 79 71,-1.6 71,-2.5 -2,-0.2 69,-0.0 -0.994 11.4-176.1-138.8 130.2 69.8 46.5 49.9 53 88 A M - 0 0 41 -2,-0.4 69,-0.1 69,-0.2 -2,-0.0 -0.952 33.0 -95.0-126.6 147.3 69.2 44.4 46.8 54 89 A P - 0 0 5 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 -0.103 64.3 -68.7 -56.8 157.3 70.8 41.2 45.6 55 90 A D > - 0 0 126 1,-0.2 3,-2.0 2,-0.1 0, 0.0 -0.229 59.2-120.2 -40.5 125.0 73.7 41.4 43.1 56 91 A P T 3 S+ 0 0 86 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 0.674 106.8 74.6 -59.4 -9.3 71.7 42.6 40.2 57 92 A D T 3 S+ 0 0 131 2,-0.0 -2,-0.1 124,-0.0 124,-0.0 0.447 71.1 130.6 -79.0 9.1 72.5 39.7 37.9 58 93 A F < - 0 0 22 -3,-2.0 2,-0.3 -4,-0.1 190,-0.1 -0.286 41.1-166.4 -57.4 141.0 70.0 37.9 40.2 59 94 A T >> - 0 0 51 1,-0.1 4,-0.9 122,-0.0 3,-0.6 -0.875 38.2 -96.7-134.0 165.1 67.4 36.0 38.1 60 95 A V H >> S+ 0 0 0 -2,-0.3 4,-1.9 1,-0.3 3,-1.2 0.864 125.9 55.6 -44.1 -43.3 64.0 34.3 38.5 61 96 A N H 3> S+ 0 0 66 1,-0.3 4,-1.0 2,-0.3 3,-0.3 0.938 101.0 55.7 -56.5 -48.1 65.9 31.0 38.8 62 97 A D H <> S+ 0 0 56 -3,-0.6 4,-1.0 1,-0.3 -1,-0.3 0.679 111.1 48.5 -58.0 -16.0 67.9 32.5 41.6 63 98 A V H S+ 0 0 0 -3,-1.2 4,-1.6 -4,-0.9 5,-0.5 0.748 97.6 65.0 -93.2 -35.5 64.5 33.0 43.1 64 99 A K H <5S+ 0 0 45 -4,-1.9 4,-0.3 -3,-0.3 -2,-0.2 0.713 110.0 43.3 -64.2 -12.7 63.2 29.5 42.4 65 100 A M H <5S+ 0 0 117 -4,-1.0 -2,-0.2 -5,-0.2 4,-0.1 0.921 108.0 49.2 -91.6 -71.4 65.9 28.4 44.9 66 101 A C H <5S+ 0 0 15 -4,-1.0 51,-0.9 1,-0.2 52,-0.2 0.818 121.9 37.9 -37.9 -47.1 65.8 30.9 47.9 67 102 A V T <5S- 0 0 13 -4,-1.6 -1,-0.2 49,-0.2 -3,-0.1 0.923 122.5-104.3 -74.7 -45.6 62.0 30.5 48.2 68 103 A G > < - 0 0 24 -5,-0.5 3,-0.7 -4,-0.3 20,-0.4 0.216 23.1-109.3 121.6 117.3 62.0 26.8 47.3 69 104 A S T 3 S+ 0 0 68 1,-0.2 3,-0.1 19,-0.1 -4,-0.0 0.009 105.3 35.7 -58.5 177.7 61.0 24.9 44.2 70 105 A R T 3 S+ 0 0 213 1,-0.2 2,-0.9 3,-0.0 -1,-0.2 0.769 85.8 134.9 44.5 23.9 57.8 22.9 44.2 71 106 A R < - 0 0 68 -3,-0.7 17,-0.4 -7,-0.1 -1,-0.2 -0.795 64.6-120.2-104.8 87.1 56.6 25.7 46.5 72 107 A M - 0 0 123 -2,-0.9 2,-0.4 15,-0.2 15,-0.3 0.144 33.1-164.9 -28.4 128.4 53.1 26.5 45.1 73 108 A V - 0 0 5 13,-3.7 2,-0.9 11,-0.2 -1,-0.1 -0.976 26.0-115.0-126.0 138.0 52.9 30.1 43.8 74 109 A D - 0 0 91 -2,-0.4 2,-0.5 11,-0.1 36,-0.4 -0.614 42.1-178.3 -72.9 108.5 49.8 32.0 43.0 75 110 A V - 0 0 0 -2,-0.9 2,-0.4 7,-0.3 10,-0.2 -0.942 12.2-149.6-114.9 122.9 50.2 32.6 39.3 76 111 A M E -G 107 0B 70 31,-2.6 31,-1.6 -2,-0.5 2,-1.4 -0.742 14.3-134.3-100.8 140.7 47.6 34.6 37.3 77 112 A D E > -G 106 0B 25 -2,-0.4 3,-2.9 29,-0.2 2,-0.4 -0.656 17.6-153.3 -82.0 87.8 46.6 34.2 33.7 78 113 A V T 3 S+ 0 0 13 -2,-1.4 85,-0.2 27,-1.2 -1,-0.2 0.452 90.9 69.2 -49.1 6.1 46.6 37.9 32.7 79 114 A N T 3 S- 0 0 113 -2,-0.4 -1,-0.3 26,-0.3 27,-0.1 0.281 133.4 -29.2-106.0 7.4 44.1 36.9 30.0 80 115 A T S < S- 0 0 87 -3,-2.9 2,-0.2 2,-0.0 -2,-0.1 -0.203 99.1 -80.0-178.8 -75.8 41.4 36.2 32.7 81 116 A Q S S+ 0 0 128 -4,-0.2 2,-1.0 -6,-0.1 -5,-0.1 -0.733 71.1 24.5 157.0 156.2 42.6 35.1 36.2 82 117 A K + 0 0 111 -2,-0.2 -7,-0.3 1,-0.1 -4,-0.1 -0.623 36.9 150.0 82.0 -83.3 43.8 32.6 38.9 83 118 A G > + 0 0 28 -2,-1.0 3,-0.6 1,-0.2 -1,-0.1 0.576 14.0 156.8 16.4 46.1 45.7 29.5 37.6 84 119 A I T 3 + 0 0 77 1,-0.2 -11,-0.2 -10,-0.2 -1,-0.2 0.206 32.3 121.0 -77.1 19.0 47.8 29.3 40.9 85 120 A E T 3 + 0 0 154 -10,-0.2 -1,-0.2 -13,-0.1 -2,-0.1 0.937 56.4 79.8 -50.0 -56.6 48.2 25.6 39.9 86 121 A M < - 0 0 20 -3,-0.6 -13,-3.7 -14,-0.1 2,-0.2 0.117 59.8-153.1 -68.0 161.9 52.0 26.0 39.8 87 122 A T > - 0 0 6 -15,-0.3 4,-2.3 -13,-0.1 -15,-0.2 -0.579 50.1 -85.0-113.3 176.5 55.0 26.0 42.0 88 123 A M H > S+ 0 0 0 -20,-0.4 4,-3.8 -17,-0.4 5,-0.3 0.853 124.8 63.3 -56.3 -38.6 58.3 27.7 41.3 89 124 A A H > S+ 0 0 35 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.957 109.9 36.3 -52.2 -58.2 59.5 24.7 39.4 90 125 A Q H > S+ 0 0 91 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.884 120.4 52.4 -63.2 -38.5 56.8 25.0 36.7 91 126 A W H >X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 3,-1.0 0.953 102.4 53.1 -64.3 -55.1 57.1 28.7 36.8 92 127 A T H 3X S+ 0 0 0 -4,-3.8 4,-1.7 1,-0.3 -1,-0.2 0.889 108.6 52.9 -50.0 -42.0 60.8 29.2 36.4 93 128 A R H 3< S+ 0 0 161 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.832 109.3 50.5 -64.0 -30.5 60.6 27.1 33.3 94 129 A Y H X< S+ 0 0 23 -4,-1.0 3,-2.3 -3,-1.0 -2,-0.2 0.951 103.1 57.7 -71.8 -49.7 57.8 29.4 32.1 95 130 A Y H 3< S+ 0 0 13 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.877 107.7 48.9 -46.4 -42.8 59.8 32.6 32.7 96 131 A E T 3< S+ 0 0 104 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.212 80.4 113.2 -89.2 18.2 62.6 31.3 30.4 97 132 A T S < S- 0 0 41 -3,-2.3 5,-0.3 1,-0.1 -3,-0.0 -0.784 79.9-107.0 -88.8 113.5 60.4 30.3 27.4 98 133 A P > - 0 0 86 0, 0.0 4,-2.5 0, 0.0 3,-0.3 -0.000 35.4-106.5 -38.9 142.8 61.1 32.6 24.5 99 134 A E T 4 S+ 0 0 82 1,-0.2 -2,-0.1 2,-0.2 60,-0.0 0.857 117.9 44.4 -41.0 -53.4 58.2 35.1 24.0 100 135 A E T 4 S+ 0 0 177 1,-0.2 -1,-0.2 3,-0.0 -3,-0.0 0.895 114.1 48.3 -65.5 -39.7 56.9 33.4 20.9 101 136 A E T 4 S+ 0 0 151 -3,-0.3 -1,-0.2 2,-0.0 -2,-0.2 0.831 88.1 109.2 -67.0 -29.9 57.2 29.8 22.2 102 137 A R < - 0 0 21 -4,-2.5 -8,-0.0 -5,-0.3 -7,-0.0 -0.268 50.9-171.9 -51.0 116.5 55.5 31.2 25.4 103 138 A E + 0 0 98 -2,-0.1 2,-0.2 -9,-0.0 -1,-0.1 0.950 63.1 32.2 -78.8 -56.8 52.0 29.6 25.4 104 139 A K S S- 0 0 111 -10,-0.0 2,-0.6 -26,-0.0 -27,-0.0 -0.496 75.9-123.9 -98.7 170.6 50.2 31.4 28.2 105 140 A L + 0 0 41 -2,-0.2 -27,-1.2 56,-0.0 -26,-0.3 -0.894 42.6 178.6-116.4 95.1 50.6 35.0 29.5 106 141 A Y E -G 77 0B 34 -2,-0.6 53,-0.6 -29,-0.2 2,-0.3 -0.720 15.0-171.1-104.9 152.5 51.4 34.5 33.2 107 142 A N E -GH 76 158B 6 -31,-1.6 -31,-2.6 -2,-0.3 2,-0.6 -0.998 10.4-162.0-143.2 134.1 52.2 36.9 36.0 108 143 A V E + H 0 157B 0 49,-2.1 49,-3.0 -2,-0.3 -33,-0.1 -0.896 29.0 147.8-119.3 100.5 53.4 36.4 39.6 109 144 A I E + 0 0 70 -2,-0.6 47,-0.2 -35,-0.3 -1,-0.1 0.046 64.2 60.4-119.1 24.9 52.8 39.5 41.8 110 145 A S E + 0 0 59 -36,-0.4 2,-0.7 45,-0.2 46,-0.1 0.514 54.2 130.6-129.6 -7.6 52.2 37.7 45.1 111 146 A L E - H 0 155B 5 44,-0.6 44,-2.3 -37,-0.2 2,-0.8 -0.329 35.9-168.9 -56.6 101.0 55.3 35.8 46.2 112 147 A E + 0 0 15 -2,-0.7 3,-0.3 42,-0.2 42,-0.2 -0.842 8.5 177.6 -97.0 109.8 55.8 36.9 49.7 113 148 A F > + 0 0 0 -2,-0.8 3,-1.8 40,-0.5 6,-0.5 0.442 42.0 114.2 -97.3 -3.5 59.2 35.5 50.7 114 149 A S T 3 S+ 0 0 9 39,-0.5 -1,-0.2 1,-0.3 6,-0.1 0.594 79.1 64.6 -43.8 -13.4 60.1 36.7 54.3 115 150 A H T 3 S+ 0 0 125 -3,-0.3 -1,-0.3 35,-0.1 -2,-0.1 0.931 98.1 64.5 -73.5 -51.3 59.9 33.0 55.0 116 151 A T S X S- 0 0 18 -3,-1.8 3,-1.8 1,-0.1 4,-0.3 -0.039 98.1-100.2 -73.8 171.1 62.9 32.1 52.8 117 152 A R T 3 S+ 0 0 72 -51,-0.9 3,-0.4 1,-0.3 -50,-0.1 0.778 111.7 80.8 -60.8 -28.7 66.5 33.0 52.9 118 153 A L T >> S+ 0 0 0 1,-0.2 3,-1.5 -52,-0.2 4,-0.8 0.768 78.0 75.3 -50.3 -28.1 65.8 35.6 50.3 119 154 A E G X4 S+ 0 0 50 -3,-1.8 3,-2.6 -6,-0.5 -1,-0.2 0.961 93.6 43.2 -50.3 -69.1 64.6 37.8 53.2 120 155 A N G 34 S+ 0 0 137 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.2 0.263 110.2 63.5 -66.0 18.0 68.0 38.8 54.7 121 156 A M G <4 S+ 0 0 57 -3,-1.5 2,-0.4 1,-0.2 -1,-0.3 0.581 102.3 52.0-110.9 -23.0 69.0 39.3 51.0 122 157 A V << - 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0 0 214 -3,-0.7 -3,-0.2 1,-0.2 -2,-0.1 0.913 33.2-169.6 45.6 56.8 32.3 41.8 48.6 275 320 A V < - 0 0 39 -5,-2.3 -1,-0.2 1,-0.1 5,-0.1 -0.604 31.5-101.4 -75.7 133.1 36.0 41.0 48.2 276 321 A P > - 0 0 61 0, 0.0 3,-1.5 0, 0.0 4,-0.2 -0.322 24.6-121.7 -58.7 131.6 36.6 37.3 49.2 277 322 A N T 3 S+ 0 0 145 1,-0.3 3,-0.5 2,-0.2 -2,-0.1 0.544 107.6 73.0 -51.0 -8.2 38.2 36.9 52.6 278 323 A K T 3 S+ 0 0 150 1,-0.2 -1,-0.3 4,-0.0 -3,-0.0 0.957 99.9 40.3 -71.8 -50.7 41.1 35.2 50.9 279 324 A F S < S+ 0 0 118 -3,-1.5 2,-0.2 2,-0.1 -1,-0.2 0.144 92.7 115.1 -86.6 19.1 42.5 38.4 49.4 280 325 A R S S- 0 0 27 -3,-0.5 -110,-0.0 -4,-0.2 3,-0.0 -0.606 81.8 -93.7 -90.7 150.2 41.9 40.6 52.5 281 326 A Y > - 0 0 3 -2,-0.2 3,-1.1 1,-0.1 2,-0.1 -0.457 53.1-113.8 -61.3 120.6 44.6 42.1 54.6 282 327 A P T 3 S- 0 0 26 0, 0.0 -1,-0.1 0, 0.0 -131,-0.1 -0.375 89.4 -0.4 -63.5 130.1 45.2 39.5 57.3 283 328 A F T 3> S+ 0 0 57 -2,-0.1 4,-2.1 -135,-0.1 5,-0.2 0.853 78.8 161.4 62.0 40.8 44.2 40.6 60.9 284 329 A Y H <> S+ 0 0 3 -3,-1.1 4,-1.9 1,-0.2 3,-0.2 0.966 74.5 33.0 -53.7 -63.4 43.1 44.1 59.8 285 330 A Y H > S+ 0 0 21 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.807 114.7 58.3 -66.3 -31.2 41.1 45.0 62.9 286 331 A E H > S+ 0 0 41 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.887 107.8 49.8 -65.7 -36.0 43.2 43.0 65.3 287 332 A M H >X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 3,-0.6 0.946 105.2 56.4 -64.5 -50.5 46.1 45.2 64.1 288 333 A C H 3X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.3 -2,-0.2 0.877 104.2 53.7 -49.7 -44.2 44.0 48.4 64.6 289 334 A W H 3X S+ 0 0 4 -4,-1.9 4,-2.1 1,-0.2 -1,-0.3 0.869 109.1 48.2 -62.0 -36.8 43.5 47.4 68.3 290 335 A Y H S+ 0 0 7 -4,-2.3 4,-2.9 2,-0.2 5,-0.5 0.974 113.2 47.0 -58.1 -57.3 49.7 54.9 71.0 296 341 A V H X5S+ 0 0 0 -4,-3.0 4,-3.0 1,-0.2 6,-0.7 0.923 117.5 44.5 -52.1 -46.2 48.1 55.0 74.4 297 342 A Y H X5S+ 0 0 86 -4,-2.2 4,-1.8 -5,-0.3 -1,-0.2 0.878 114.5 46.9 -68.6 -37.9 51.1 53.2 75.9 298 343 A C H <5S+ 0 0 38 -4,-3.2 -1,-0.2 2,-0.2 -2,-0.2 0.845 125.0 31.3 -73.5 -32.0 53.8 55.3 74.1 299 344 A I H <5S+ 0 0 36 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.859 135.4 27.7 -89.6 -39.7 52.2 58.6 74.9 300 345 A T H < - 0 0 12 46,-1.4 4,-2.5 -2,-0.1 5,-0.2 -0.203 39.8-106.8 -66.7 165.1 47.5 41.3 79.1 307 352 A K H > S+ 0 0 176 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.931 121.3 56.1 -60.5 -42.5 50.1 40.6 81.8 308 353 A E H > S+ 0 0 130 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.943 110.7 42.4 -51.5 -56.5 51.4 37.7 79.7 309 354 A F H > S+ 0 0 18 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.852 110.7 55.9 -61.2 -38.2 52.0 40.0 76.7 310 355 A Q H X S+ 0 0 68 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.917 107.0 51.7 -61.6 -39.0 53.4 42.7 78.9 311 356 A K H X S+ 0 0 148 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.915 109.4 47.6 -64.1 -46.8 56.0 40.2 80.2 312 357 A E H X S+ 0 0 86 -4,-2.1 4,-3.2 2,-0.2 5,-0.3 0.959 112.0 49.9 -61.0 -47.5 57.1 39.1 76.8 313 358 A S H X S+ 0 0 33 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.888 114.6 45.8 -57.1 -40.3 57.5 42.7 75.6 314 359 A L H X S+ 0 0 101 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.861 112.7 49.9 -69.3 -39.4 59.5 43.4 78.7 315 360 A S H < S+ 0 0 56 -4,-2.9 -2,-0.2 2,-0.2 -3,-0.2 0.987 110.6 49.2 -61.8 -57.6 61.6 40.3 78.3 316 361 A M H < S+ 0 0 57 -4,-3.2 3,-0.4 1,-0.3 -1,-0.2 0.839 111.2 50.2 -50.3 -39.9 62.4 41.0 74.7 317 362 A D H < S+ 0 0 76 -4,-1.6 2,-2.7 -5,-0.3 -1,-0.3 0.946 103.2 60.5 -64.6 -47.6 63.4 44.6 75.7 318 363 A L < 0 0 156 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.1 -0.352 360.0 360.0 -78.4 58.8 65.6 43.1 78.4 319 364 A E 0 0 182 -2,-2.7 -3,-0.0 -3,-0.4 -4,-0.0 -0.859 360.0 360.0-156.8 360.0 67.5 41.3 75.7 320 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 321 450 A Q 0 0 191 0, 0.0 2,-0.3 0, 0.0 49,-0.0 0.000 360.0 360.0 360.0-142.5 53.5 65.7 76.8 322 451 A V - 0 0 25 2,-0.0 2,-0.5 0, 0.0 56,-0.1 -0.985 360.0-144.5-146.1 153.1 53.3 64.9 73.1 323 452 A H - 0 0 50 -2,-0.3 57,-0.3 54,-0.2 2,-0.1 -0.917 18.6-165.7-126.9 108.1 52.3 66.7 69.9 324 453 A L - 0 0 6 -2,-0.5 54,-0.2 46,-0.2 2,-0.1 -0.477 23.4-113.9 -86.9 158.5 50.7 64.7 67.2 325 454 A T > - 0 0 5 53,-0.2 4,-1.8 -2,-0.1 3,-0.1 -0.405 30.7-111.7 -81.4 167.6 50.2 65.7 63.6 326 455 A H H > S+ 0 0 114 1,-0.2 4,-3.3 2,-0.2 5,-0.5 0.882 116.4 68.2 -69.1 -33.2 46.6 66.3 62.4 327 456 A F H > S+ 0 0 19 1,-0.2 4,-1.6 -294,-0.2 -67,-0.3 0.905 107.2 36.4 -48.5 -49.9 47.1 63.2 60.2 328 457 A E H > S+ 0 0 5 2,-0.2 4,-3.9 3,-0.2 5,-0.3 0.872 114.7 54.4 -75.6 -37.7 47.3 61.0 63.3 329 458 A L H X S+ 0 0 30 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.946 114.5 40.7 -62.0 -46.0 44.7 62.9 65.4 330 459 A E H X S+ 0 0 77 -4,-3.3 4,-1.9 1,-0.2 -1,-0.2 0.898 116.9 53.2 -68.3 -34.8 42.1 62.6 62.6 331 460 A G H X S+ 0 0 0 -4,-1.6 4,-2.5 -5,-0.5 -2,-0.2 0.934 107.0 47.6 -64.5 -47.8 43.4 59.0 62.1 332 461 A L H X S+ 0 0 1 -4,-3.9 4,-2.4 1,-0.2 -1,-0.2 0.889 107.4 59.5 -61.3 -35.3 43.0 57.9 65.6 333 462 A R H X S+ 0 0 90 -4,-1.8 4,-2.8 -5,-0.3 -1,-0.2 0.946 108.0 44.4 -57.7 -49.1 39.5 59.5 65.5 334 463 A C H X S+ 0 0 42 -4,-1.9 4,-3.6 1,-0.2 5,-0.3 0.919 110.4 53.4 -61.3 -47.7 38.5 57.2 62.7 335 464 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.891 112.7 46.2 -54.9 -39.7 40.1 54.1 64.3 336 465 A V H X S+ 0 0 0 -4,-2.4 4,-1.6 -5,-0.2 -2,-0.2 0.953 116.5 42.2 -69.0 -50.3 38.0 54.8 67.4 337 466 A D H X S+ 0 0 79 -4,-2.8 4,-1.6 -5,-0.2 -2,-0.2 0.900 116.0 50.2 -64.1 -40.4 34.8 55.5 65.6 338 467 A K H >< S+ 0 0 44 -4,-3.6 3,-1.0 1,-0.2 -2,-0.2 0.986 111.6 46.4 -59.2 -61.1 35.3 52.5 63.2 339 468 A L H >< S+ 0 0 1 -4,-2.1 3,-0.7 -5,-0.3 -1,-0.2 0.761 112.2 52.3 -53.6 -30.9 36.1 50.0 66.0 340 469 A E H 3< S+ 0 0 85 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.813 102.4 58.1 -78.5 -28.9 33.1 51.3 68.0 341 470 A S T << S+ 0 0 79 -4,-1.6 -1,-0.2 -3,-1.0 -2,-0.2 0.303 83.8 107.6 -82.4 10.8 30.7 50.8 65.1 342 471 A L S < S- 0 0 15 -3,-0.7 5,-0.1 -4,-0.2 -3,-0.0 -0.777 81.5-109.6 -92.6 127.2 31.6 47.1 64.9 343 472 A P > - 0 0 59 0, 0.0 3,-3.0 0, 0.0 -2,-0.1 -0.291 35.8-108.1 -55.4 135.3 28.9 44.7 66.1 344 473 A L G > S+ 0 0 141 1,-0.3 3,-1.0 2,-0.2 4,-0.1 0.737 116.4 52.8 -31.9 -49.3 30.0 43.1 69.4 345 474 A H G 3 S+ 0 0 156 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.745 113.5 44.9 -68.1 -20.4 30.7 39.7 67.9 346 475 A K G < + 0 0 125 -3,-3.0 -1,-0.3 1,-0.2 -2,-0.2 -0.209 68.9 112.3-119.3 46.1 32.9 41.1 65.3 347 476 A K < - 0 0 31 -3,-1.0 -1,-0.2 -5,-0.1 -2,-0.1 0.392 66.6-147.0 -92.0 2.5 35.2 43.6 67.0 348 477 A C - 0 0 55 -3,-0.2 -59,-0.2 1,-0.2 -2,-0.1 0.796 18.4-168.1 33.2 50.0 38.1 41.3 66.3 349 478 A V - 0 0 48 1,-0.1 -1,-0.2 -60,-0.1 -63,-0.1 -0.518 23.3-119.9 -65.2 124.6 39.8 42.2 69.6 350 479 A P - 0 0 12 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.058 21.7-108.7 -56.0 179.6 43.3 40.8 69.3 351 480 A T S S+ 0 0 110 1,-0.2 -45,-0.1 -3,-0.1 -2,-0.1 0.714 108.8 63.3 -89.3 -20.8 44.5 38.2 71.8 352 481 A G S S+ 0 0 0 -47,-0.1 -46,-1.4 -44,-0.1 2,-0.6 0.242 83.2 101.6 -88.6 18.9 47.0 40.4 73.7 353 482 A I B -M 305 0D 12 -3,-0.5 -48,-0.2 -48,-0.3 3,-0.2 -0.893 47.5-171.5-116.2 119.9 44.4 42.9 74.9 354 483 A E S S+ 0 0 110 -50,-1.5 2,-0.6 -2,-0.6 -1,-0.2 0.959 76.7 5.7 -60.8 -94.1 42.8 43.0 78.4 355 484 A D > - 0 0 77 -51,-0.2 4,-1.3 1,-0.2 -1,-0.3 -0.868 55.6-173.9-103.2 119.9 40.0 45.5 78.3 356 485 A E H > S+ 0 0 50 -2,-0.6 4,-3.6 -3,-0.2 5,-0.2 0.831 88.6 53.7 -76.2 -34.5 39.2 47.1 74.9 357 486 A D H > S+ 0 0 105 2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.934 107.0 49.1 -67.3 -46.4 36.7 49.4 76.5 358 487 A A H > S+ 0 0 24 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.928 114.2 49.9 -58.5 -39.3 39.3 50.8 79.0 359 488 A L H X S+ 0 0 0 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.985 112.0 44.9 -60.2 -59.6 41.5 51.1 75.9 360 489 A I H X S+ 0 0 11 -4,-3.6 4,-2.4 1,-0.2 -2,-0.2 0.868 113.5 51.0 -52.9 -41.1 38.8 53.0 73.9 361 490 A A H X S+ 0 0 45 -4,-3.4 4,-2.0 1,-0.2 -1,-0.2 0.931 109.9 50.3 -63.3 -44.5 38.0 55.2 76.8 362 491 A D H X S+ 0 0 31 -4,-2.6 4,-1.8 -5,-0.3 -2,-0.2 0.787 109.9 50.9 -63.6 -29.4 41.7 56.0 77.2 363 492 A V H X S+ 0 0 3 -4,-1.9 4,-3.3 2,-0.2 5,-0.2 0.943 108.0 50.8 -74.2 -47.7 41.9 56.9 73.5 364 493 A K H X S+ 0 0 76 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.887 114.1 44.9 -56.1 -42.4 38.9 59.2 73.6 365 494 A I H X S+ 0 0 81 -4,-2.0 4,-2.2 2,-0.2 3,-0.5 0.910 113.6 50.7 -66.7 -42.1 40.4 61.0 76.6 366 495 A L H X S+ 0 0 3 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.892 107.4 54.3 -62.3 -40.2 43.8 61.0 74.9 367 496 A L H < S+ 0 0 17 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.742 111.1 44.5 -68.7 -23.6 42.3 62.5 71.8 368 497 A E H < S+ 0 0 142 -4,-1.0 3,-0.4 -3,-0.5 4,-0.3 0.837 110.7 51.5 -90.6 -32.6 40.8 65.4 73.6 369 498 A E H < S+ 0 0 120 -4,-2.2 3,-0.4 1,-0.2 -2,-0.2 0.884 118.1 40.2 -66.8 -36.1 43.8 66.2 75.7 370 499 A L S < S+ 0 0 8 -4,-1.9 -46,-0.2 -5,-0.2 -1,-0.2 0.452 80.3 109.9 -92.6 -1.9 45.9 66.3 72.5 371 500 A A S S+ 0 0 59 -3,-0.4 2,-1.2 1,-0.2 -1,-0.2 0.837 76.6 56.1 -39.2 -46.3 43.3 68.1 70.4 372 501 A N S S+ 0 0 131 -3,-0.4 2,-0.4 -4,-0.3 -1,-0.2 -0.721 73.7 156.8 -94.5 85.5 45.5 71.2 70.4 373 502 A S - 0 0 21 -2,-1.2 -50,-0.1 -50,-0.1 3,-0.1 -0.898 43.0-123.5-109.5 141.5 48.8 69.9 69.0 374 503 A D > - 0 0 64 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 -0.738 11.8-147.4 -86.5 120.1 51.2 72.3 67.4 375 504 A P H > S+ 0 0 92 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.929 99.1 48.1 -50.6 -48.1 52.0 71.2 63.9 376 505 A K H >4 S+ 0 0 172 1,-0.2 3,-0.8 2,-0.2 -53,-0.1 0.961 114.8 44.0 -56.7 -53.6 55.5 72.6 64.1 377 506 A L H 34 S+ 0 0 109 1,-0.2 -1,-0.2 -53,-0.1 -54,-0.2 0.770 107.0 63.5 -63.5 -24.9 56.2 71.0 67.5 378 507 A A H 3< S+ 0 0 1 -4,-2.4 2,-3.4 1,-0.2 -1,-0.2 0.864 78.5 87.0 -67.3 -35.9 54.6 67.8 66.2 379 508 A L << + 0 0 39 -4,-1.5 -1,-0.2 -3,-0.8 -349,-0.1 -0.241 49.4 153.5 -65.9 62.1 57.3 67.4 63.5 380 509 A T - 0 0 92 -2,-3.4 -1,-0.2 -57,-0.3 -350,-0.1 0.610 54.5-125.9 -69.2 -14.6 59.7 65.5 65.8 381 510 A G S S+ 0 0 24 -352,-0.2 -352,-0.4 -3,-0.2 -351,-0.3 0.356 87.0 70.0 84.2 -9.1 61.5 63.7 63.1 382 511 A V S S- 0 0 74 -353,-0.2 -2,-0.1 -354,-0.1 4,-0.1 -0.972 88.6-107.2-146.8 130.2 60.7 60.3 64.8 383 512 A P - 0 0 14 0, 0.0 -353,-0.0 0, 0.0 -354,-0.0 -0.150 20.5-133.5 -53.1 143.0 57.4 58.4 65.2 384 513 A I S S+ 0 0 58 1,-0.1 2,-0.8 2,-0.0 -60,-0.0 0.773 94.9 72.3 -70.8 -26.4 56.0 58.4 68.8 385 514 A V + 0 0 5 -255,-0.1 2,-0.3 -86,-0.0 -1,-0.1 -0.832 69.2 142.1 -93.4 112.0 55.4 54.7 68.5 386 515 A Q + 0 0 31 -2,-0.8 -256,-0.0 1,-0.2 -250,-0.0 -0.960 41.9 43.4-146.4 159.9 58.8 53.0 68.6 387 516 A W 0 0 191 -2,-0.3 -1,-0.2 1,-0.2 -251,-0.1 0.962 360.0 360.0 67.0 55.3 60.4 49.8 70.1 388 517 A P 0 0 32 0, 0.0 -248,-0.3 0, 0.0 -1,-0.2 0.513 360.0 360.0 -17.0 360.0 57.5 47.6 69.0