==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 24-NOV-09 3KT4 . COMPND 2 MOLECULE: PKHD-TYPE HYDROXYLASE TPA1; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR H.S.KIM,H.L.KIM,K.H.KIM,D.J.KIM,S.J.LEE,J.Y.YOON,H.J.YOON, . 563 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25633.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 374 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 127 22.6 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 1 0.2 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 . 30 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 146 25.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 1 1 0 0 2 2 1 3 0 2 3 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 6 7 4 5 1 1 2 2 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 . 3 0 1 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 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 22 A E >> 0 0 153 0, 0.0 3,-2.5 0, 0.0 4,-0.7 0.000 360.0 360.0 360.0 139.4 35.3 -54.9 -43.7 2 23 A E H 3> + 0 0 101 1,-0.3 4,-2.4 2,-0.2 3,-0.2 0.285 360.0 37.8 29.2 -86.7 38.1 -55.7 -41.3 3 24 A D H 3> S+ 0 0 118 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.825 114.6 54.5 -65.8 -36.9 41.1 -56.3 -43.6 4 25 A K H <4 S+ 0 0 139 -3,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.846 113.5 43.5 -66.0 -34.7 40.2 -53.6 -46.1 5 26 A I H >< S+ 0 0 20 -4,-0.7 3,-1.4 -3,-0.2 -2,-0.2 0.907 110.9 52.2 -78.0 -43.0 40.1 -51.0 -43.3 6 27 A K H >< S+ 0 0 76 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.777 101.1 64.2 -63.7 -26.3 43.3 -52.1 -41.5 7 28 A G T 3< S+ 0 0 42 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.589 90.7 65.8 -73.2 -11.8 45.2 -51.9 -44.9 8 29 A X T < S+ 0 0 51 -3,-1.4 34,-2.9 -4,-0.2 2,-0.3 0.472 98.6 62.8 -89.2 -4.9 44.6 -48.1 -45.0 9 30 A F B < S-A 41 0A 6 -3,-1.1 32,-0.2 32,-0.3 31,-0.1 -0.724 105.0 -78.7-112.7 164.7 46.7 -47.6 -42.0 10 31 A N > - 0 0 35 30,-3.1 3,-1.6 -2,-0.3 4,-0.3 -0.491 43.2-130.4 -53.4 124.0 50.4 -48.1 -41.2 11 32 A P G > S+ 0 0 103 0, 0.0 3,-1.5 0, 0.0 4,-0.4 0.778 100.6 73.6 -56.7 -24.1 50.6 -51.9 -40.5 12 33 A K G > S+ 0 0 64 1,-0.3 3,-1.8 2,-0.2 6,-0.2 0.850 83.3 66.2 -56.7 -35.2 52.5 -51.1 -37.3 13 34 A I G < S+ 0 0 0 -3,-1.6 -1,-0.3 1,-0.3 27,-0.0 0.714 97.6 53.8 -67.1 -17.1 49.4 -49.9 -35.5 14 35 A W G < S+ 0 0 55 -3,-1.5 2,-0.5 -4,-0.3 -1,-0.3 0.528 86.2 104.2 -90.2 -7.4 47.8 -53.4 -35.6 15 36 A D <> - 0 0 83 -3,-1.8 4,-2.6 -4,-0.4 5,-0.2 -0.631 65.9-147.2 -80.1 122.3 50.9 -54.9 -33.9 16 37 A K H > S+ 0 0 109 -2,-0.5 4,-2.8 1,-0.2 5,-0.2 0.874 98.6 53.6 -56.6 -42.1 50.4 -55.7 -30.2 17 38 A T H > S+ 0 0 109 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.906 111.8 45.8 -61.0 -43.3 54.0 -54.9 -29.3 18 39 A F H > S+ 0 0 55 -6,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.926 112.5 51.5 -59.9 -49.1 53.7 -51.5 -30.9 19 40 A Q H X S+ 0 0 31 -4,-2.6 4,-2.4 -7,-0.2 -2,-0.2 0.898 112.0 45.0 -57.1 -46.7 50.3 -51.0 -29.2 20 41 A D H X S+ 0 0 62 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.929 112.9 51.4 -65.9 -44.3 51.6 -51.8 -25.7 21 42 A G H X S+ 0 0 42 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.883 112.2 47.2 -56.1 -41.6 54.7 -49.7 -26.3 22 43 A L H X S+ 0 0 5 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.900 108.9 52.6 -69.5 -43.0 52.5 -46.8 -27.3 23 44 A K H X S+ 0 0 54 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.895 111.6 48.5 -57.9 -42.0 50.1 -47.2 -24.3 24 45 A K H X S+ 0 0 113 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.934 110.0 50.7 -61.8 -50.3 53.2 -47.1 -22.0 25 46 A E H X S+ 0 0 122 -4,-2.1 4,-0.6 1,-0.2 -2,-0.2 0.871 110.6 48.3 -55.9 -43.9 54.6 -44.0 -23.8 26 47 A I H >< S+ 0 0 8 -4,-2.4 3,-0.6 1,-0.2 8,-0.4 0.862 110.0 54.3 -64.1 -36.2 51.3 -42.1 -23.4 27 48 A E H 3< S+ 0 0 70 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.779 112.0 43.3 -67.9 -30.6 51.2 -43.2 -19.8 28 49 A D H 3< S+ 0 0 110 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.443 91.6 114.0 -95.5 -4.7 54.7 -41.7 -19.2 29 50 A S << - 0 0 30 -3,-0.6 -3,-0.1 -4,-0.6 6,-0.0 -0.233 58.5-106.4 -70.0 156.5 54.1 -38.4 -21.1 30 51 A Q S S+ 0 0 104 1,-0.1 136,-0.1 3,-0.1 -2,-0.1 -0.958 81.7 13.8-130.7 156.3 54.0 -34.9 -19.5 31 52 A P S S- 0 0 34 0, 0.0 2,-0.3 0, 0.0 138,-0.2 -0.998 133.5 -18.8 -87.7 -10.6 52.4 -32.5 -18.6 32 53 A Y S S- 0 0 15 136,-0.1 2,-0.3 169,-0.0 -4,-0.0 -0.935 95.8 -64.0-145.7 167.8 49.3 -34.7 -19.0 33 54 A N + 0 0 77 -2,-0.3 161,-0.6 -6,-0.1 2,-0.3 -0.319 68.5 147.4 -64.5 115.6 48.8 -37.9 -20.9 34 55 A W E -B 193 0B 42 -8,-0.4 2,-0.3 -2,-0.3 159,-0.2 -0.944 24.6-158.9-140.1 163.8 49.1 -37.4 -24.7 35 56 A G E -B 192 0B 4 157,-3.2 157,-2.1 -2,-0.3 2,-0.3 -0.946 4.3-161.6-139.7 161.6 50.3 -39.4 -27.7 36 57 A T E -B 191 0B 30 -2,-0.3 2,-0.4 155,-0.2 155,-0.2 -0.998 2.4-162.7-141.6 144.9 51.6 -39.1 -31.2 37 58 A I E -B 190 0B 3 153,-1.8 153,-2.0 -2,-0.3 3,-0.5 -0.978 13.6-145.1-127.8 121.4 51.9 -41.4 -34.2 38 59 A H S S+ 0 0 101 -2,-0.4 151,-0.2 1,-0.2 150,-0.1 -0.642 81.7 4.3 -78.5 138.7 54.1 -40.7 -37.2 39 60 A E S S+ 0 0 125 148,-0.4 -1,-0.2 -2,-0.3 150,-0.2 0.912 77.8 164.4 58.5 52.0 52.9 -41.8 -40.7 40 61 A L + 0 0 0 148,-2.2 -30,-3.1 -3,-0.5 -27,-0.2 0.970 52.5 47.8 -66.3 -56.8 49.5 -43.0 -39.4 41 62 A V B S-A 9 0A 3 -32,-0.2 -32,-0.3 147,-0.2 2,-0.1 -0.435 101.9 -82.5 -89.6 155.8 47.5 -43.3 -42.7 42 63 A N > - 0 0 55 -34,-2.9 4,-2.3 -2,-0.1 5,-0.2 -0.388 43.5-128.8 -49.5 125.7 48.5 -44.9 -46.0 43 64 A D H > S+ 0 0 70 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.911 102.9 47.9 -51.8 -56.1 50.5 -42.4 -47.8 44 65 A D H > S+ 0 0 124 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.892 111.1 51.0 -52.8 -49.8 48.6 -42.4 -51.2 45 66 A L H > S+ 0 0 12 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.921 113.7 45.1 -55.6 -44.7 45.2 -42.1 -49.5 46 67 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.882 110.9 52.0 -72.4 -35.5 46.4 -39.1 -47.5 47 68 A R H X S+ 0 0 75 -4,-2.8 4,-2.1 -5,-0.2 -2,-0.2 0.931 111.1 49.4 -59.8 -46.0 48.1 -37.4 -50.5 48 69 A A H X S+ 0 0 28 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.945 109.1 51.6 -55.2 -52.7 44.8 -37.8 -52.3 49 70 A V H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.889 109.0 50.9 -52.9 -42.7 42.8 -36.4 -49.3 50 71 A R H X S+ 0 0 33 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.919 110.9 49.3 -62.7 -40.0 45.2 -33.4 -49.3 51 72 A K H X S+ 0 0 137 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.913 109.4 51.0 -65.6 -44.9 44.5 -32.9 -53.1 52 73 A E H X S+ 0 0 23 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.897 111.2 48.3 -58.2 -42.4 40.8 -33.1 -52.7 53 74 A I H X S+ 0 0 1 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.906 110.5 49.4 -70.3 -41.4 40.8 -30.5 -50.0 54 75 A E H < S+ 0 0 115 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.810 121.8 37.1 -63.1 -27.9 43.1 -28.0 -51.9 55 76 A T H < S+ 0 0 107 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.749 124.1 35.3 -97.3 -30.1 40.8 -28.4 -55.0 56 77 A E H < S+ 0 0 54 -4,-2.6 2,-0.4 -5,-0.2 -3,-0.2 0.592 104.3 65.2-107.5 -13.8 37.3 -28.7 -53.4 57 78 A I < - 0 0 14 -4,-1.6 2,-0.3 -5,-0.2 19,-0.1 -0.938 56.3-152.4-125.2 133.1 37.2 -26.4 -50.4 58 79 A H - 0 0 131 17,-0.5 2,-0.5 -2,-0.4 19,-0.1 -0.765 15.1-151.6 -92.7 146.5 37.5 -22.7 -49.8 59 80 A F - 0 0 41 -2,-0.3 2,-0.4 13,-0.1 13,-0.2 -0.979 7.6-163.1-121.9 125.0 38.8 -21.4 -46.5 60 81 A T E -C 71 0B 73 11,-2.1 11,-2.5 -2,-0.5 9,-0.1 -0.887 25.0-111.8-108.5 137.3 37.8 -18.0 -45.0 61 82 A K E -C 70 0B 88 -2,-0.4 2,-0.3 9,-0.3 9,-0.3 -0.373 34.6-175.3 -56.6 132.5 39.6 -16.1 -42.2 62 83 A K E -C 69 0B 97 7,-2.3 7,-2.1 -2,-0.1 2,-0.4 -0.960 4.4-166.7-136.4 125.1 37.7 -15.9 -38.9 63 84 A E E +C 68 0B 51 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.928 16.0 156.3-110.3 129.8 38.9 -13.9 -35.8 64 85 A T - 0 0 42 3,-2.7 -2,-0.0 -2,-0.4 0, 0.0 -0.648 60.4 -87.7-125.1-170.7 37.5 -14.2 -32.3 65 86 A D S S+ 0 0 38 -2,-0.2 479,-0.5 1,-0.2 401,-0.1 0.899 127.7 38.5 -62.6 -36.8 39.2 -13.3 -29.0 66 87 A I S S+ 0 0 38 1,-0.1 66,-3.0 477,-0.1 2,-0.3 0.619 120.5 17.6 -98.3 -15.2 40.6 -16.8 -28.8 67 88 A Y E - D 0 131B 58 64,-0.2 -3,-2.7 2,-0.1 2,-0.4 -0.997 40.6-154.5-152.3 154.8 41.6 -17.6 -32.4 68 89 A R E +CD 63 130B 21 62,-2.1 62,-1.9 -2,-0.3 2,-0.3 -0.980 41.0 154.8-123.9 124.8 42.4 -16.6 -35.9 69 90 A V E -C 62 0B 10 -7,-2.1 -7,-2.3 -2,-0.4 2,-0.9 -0.996 48.5-127.8-147.7 141.6 41.8 -19.5 -38.3 70 91 A N E +CE 61 124B 19 54,-2.1 54,-2.2 -2,-0.3 -9,-0.3 -0.881 49.7 180.0 -88.9 107.0 40.9 -20.1 -41.9 71 92 A Q E -CE 60 123B 39 -11,-2.5 -11,-2.1 -2,-0.9 52,-0.1 -0.494 44.4-160.1-104.9 172.2 37.8 -22.3 -41.5 72 93 A S 0 0 20 50,-0.5 5,-0.3 -13,-0.2 51,-0.1 0.066 360.0 360.0-128.7 14.4 35.2 -24.2 -43.6 73 94 A G 0 0 99 49,-0.1 -2,-0.1 48,-0.0 48,-0.0 -0.242 360.0 360.0 -73.2 360.0 32.7 -24.4 -40.7 74 ! 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 75 100 A S 0 0 129 0, 0.0 -17,-0.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 65.6 31.1 -23.0 -49.0 76 101 A G + 0 0 52 -19,-0.1 2,-0.7 1,-0.1 -4,-0.0 -0.118 360.0 93.7 99.2 -35.6 32.1 -26.5 -50.1 77 102 A L + 0 0 31 -2,-0.3 2,-0.6 -5,-0.3 5,-0.1 -0.804 32.4 160.1-114.4 98.9 31.9 -28.8 -47.1 78 103 A D > - 0 0 83 -2,-0.7 3,-1.7 3,-0.5 -2,-0.0 -0.932 22.3-161.9-114.4 108.5 28.7 -30.8 -46.3 79 104 A W T 3 S+ 0 0 59 -2,-0.6 3,-0.3 1,-0.3 -1,-0.1 0.685 93.0 53.3 -64.1 -18.5 29.4 -33.8 -44.0 80 105 A D T 3 S+ 0 0 157 1,-0.2 -1,-0.3 2,-0.0 2,-0.2 0.509 116.3 39.3 -94.3 -7.5 26.1 -35.4 -45.0 81 106 A D < + 0 0 98 -3,-1.7 -3,-0.5 1,-0.1 3,-0.3 -0.729 59.9 151.8-140.7 90.3 27.0 -35.2 -48.7 82 107 A L > + 0 0 8 -3,-0.3 3,-2.5 -2,-0.2 7,-0.3 0.091 29.0 127.1-106.2 22.8 30.7 -35.9 -49.4 83 108 A S T 3 S+ 0 0 81 1,-0.3 -1,-0.2 2,-0.1 6,-0.0 0.792 73.6 48.7 -49.7 -40.5 30.2 -37.3 -52.9 84 109 A R T 3 S+ 0 0 179 -3,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.404 112.8 51.5 -83.2 2.7 32.7 -34.9 -54.5 85 110 A L <> + 0 0 7 -3,-2.5 4,-2.0 1,-0.1 3,-0.4 -0.442 61.8 158.5-134.4 59.1 35.3 -35.8 -51.9 86 111 A P H > S+ 0 0 76 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.827 73.0 55.8 -60.0 -34.2 35.4 -39.7 -51.9 87 112 A N H > S+ 0 0 49 2,-0.2 4,-2.5 1,-0.2 -38,-0.2 0.912 107.8 47.1 -64.1 -45.1 38.9 -39.8 -50.3 88 113 A L H > S+ 0 0 0 -3,-0.4 4,-3.0 2,-0.2 5,-0.2 0.922 108.9 54.6 -59.5 -46.6 37.9 -37.8 -47.2 89 114 A F H X S+ 0 0 96 -4,-2.0 4,-1.6 -7,-0.3 -1,-0.2 0.901 109.2 50.2 -52.7 -43.3 34.7 -39.9 -46.8 90 115 A K H X S+ 0 0 50 -4,-1.9 4,-2.3 2,-0.2 3,-0.3 0.948 109.2 49.4 -59.1 -55.4 37.1 -42.9 -46.8 91 116 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.919 111.3 50.5 -49.1 -50.5 39.4 -41.3 -44.1 92 117 A R H X S+ 0 0 39 -4,-3.0 4,-1.0 1,-0.2 -1,-0.2 0.836 109.9 50.9 -61.6 -32.5 36.3 -40.5 -42.0 93 118 A Q H X S+ 0 0 106 -4,-1.6 4,-0.5 -3,-0.3 -1,-0.2 0.888 113.9 42.2 -73.8 -36.7 35.1 -44.1 -42.3 94 119 A I H < S+ 0 0 0 -4,-2.3 6,-0.4 2,-0.2 3,-0.4 0.882 111.1 54.9 -79.0 -37.0 38.4 -45.7 -41.2 95 120 A L H < S+ 0 0 0 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.775 117.2 37.7 -64.4 -26.4 39.1 -43.2 -38.4 96 121 A Y H < S+ 0 0 11 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.472 91.9 120.9-105.8 -1.4 35.7 -44.1 -36.9 97 122 A S S X S- 0 0 11 -4,-0.5 4,-2.2 -3,-0.4 5,-0.2 -0.076 76.4-113.9 -54.6 156.7 35.8 -47.8 -37.8 98 123 A K H > S+ 0 0 85 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.883 114.8 58.1 -60.1 -38.3 35.6 -50.3 -34.9 99 124 A Q H > S+ 0 0 30 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.920 112.3 37.7 -61.9 -46.1 39.1 -51.4 -35.6 100 125 A Y H > S+ 0 0 0 -6,-0.4 4,-2.9 2,-0.2 5,-0.2 0.843 113.3 56.5 -76.1 -35.6 40.6 -48.0 -35.1 101 126 A R H X S+ 0 0 32 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.847 108.4 47.8 -65.1 -36.4 38.3 -47.1 -32.2 102 127 A D H X S+ 0 0 55 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.923 114.6 46.9 -66.2 -44.1 39.4 -50.2 -30.3 103 128 A F H X S+ 0 0 6 -4,-1.6 4,-1.9 -5,-0.2 -2,-0.2 0.934 116.8 42.2 -60.3 -48.9 43.0 -49.4 -31.0 104 129 A F H X S+ 0 0 0 -4,-2.9 4,-1.4 1,-0.2 6,-0.2 0.861 113.7 50.9 -71.4 -39.0 42.7 -45.7 -30.0 105 130 A G H <>S+ 0 0 3 -4,-2.1 5,-2.0 -5,-0.2 6,-1.1 0.822 111.0 51.7 -67.2 -31.6 40.5 -46.3 -26.9 106 131 A Y H ><5S+ 0 0 75 -4,-1.6 3,-0.6 3,-0.2 -2,-0.2 0.926 110.0 44.3 -72.8 -46.0 43.0 -48.9 -25.7 107 132 A V H 3<5S+ 0 0 1 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.759 119.5 42.2 -74.3 -25.8 46.2 -46.8 -25.9 108 133 A T T 3<5S- 0 0 10 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.418 105.6-126.9 -96.1 -3.6 44.6 -43.7 -24.4 109 134 A K T < 5 + 0 0 119 -3,-0.6 -3,-0.2 -4,-0.4 -4,-0.1 0.860 68.8 132.7 54.5 41.8 42.8 -45.7 -21.7 110 135 A A < - 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0 0 10 27,-2.3 3,-1.9 -2,-0.3 4,-0.7 -0.357 24.4-125.9 -58.5 132.6 47.5 18.7 -23.1 298 344 A P H >> S+ 0 0 95 0, 0.0 4,-1.4 0, 0.0 3,-0.6 0.780 107.1 72.3 -56.0 -28.5 46.0 22.3 -23.0 299 345 A E H 34 S+ 0 0 110 1,-0.2 6,-0.2 2,-0.2 3,-0.2 0.876 104.2 38.1 -48.0 -42.9 43.7 21.2 -25.8 300 346 A H H <4 S+ 0 0 10 -3,-1.9 -1,-0.2 24,-0.2 9,-0.1 0.554 114.9 53.6 -94.4 -6.3 41.7 19.1 -23.2 301 347 A L H << S+ 0 0 17 -4,-0.7 -2,-0.2 -3,-0.6 -1,-0.2 0.512 86.1 105.5-100.4 -10.8 42.0 21.6 -20.4 302 348 A S S X S- 0 0 50 -4,-1.4 4,-2.2 -3,-0.2 5,-0.2 -0.281 85.5-109.6 -70.0 156.4 40.6 24.6 -22.3 303 349 A S H > S+ 0 0 91 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.852 119.8 40.4 -53.9 -39.2 37.1 25.8 -21.7 304 350 A K H > S+ 0 0 145 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.825 108.6 58.8 -83.8 -35.4 35.9 24.5 -25.1 305 351 A G H > S+ 0 0 14 2,-0.2 4,-2.3 -7,-0.2 -2,-0.2 0.907 108.3 48.9 -54.8 -45.4 37.8 21.2 -25.0 306 352 A I H X S+ 0 0 14 -4,-2.2 4,-3.3 2,-0.2 5,-0.2 0.968 111.0 46.6 -59.5 -58.4 35.9 20.4 -21.8 307 353 A E H X S+ 0 0 89 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.861 112.2 53.6 -52.6 -40.1 32.4 21.3 -23.1 308 354 A K H X S+ 0 0 122 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.971 112.9 41.3 -58.8 -55.5 33.3 19.3 -26.2 309 355 A L H X S+ 0 0 5 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.888 112.1 55.9 -61.0 -42.8 34.2 16.2 -24.1 310 356 A Q H X S+ 0 0 59 -4,-3.3 4,-2.2 1,-0.2 -1,-0.2 0.907 110.9 44.7 -53.5 -43.9 31.3 16.7 -21.8 311 357 A K H X S+ 0 0 129 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.887 110.7 52.3 -74.6 -41.3 28.9 16.6 -24.7 312 358 A Q H X S+ 0 0 56 -4,-2.3 4,-2.9 2,-0.2 6,-0.4 0.916 111.7 48.2 -57.4 -44.6 30.5 13.6 -26.4 313 359 A F H X S+ 0 0 11 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.915 110.3 49.5 -64.5 -46.4 30.2 11.7 -23.1 314 360 A V H < S+ 0 0 119 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.872 116.9 45.6 -58.4 -36.7 26.5 12.7 -22.5 315 361 A E H < S+ 0 0 119 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.934 131.3 13.4 -70.7 -49.8 25.9 11.5 -26.1 316 362 A N H < S- 0 0 103 -4,-2.9 -3,-0.2 2,-0.3 -2,-0.2 0.537 86.7-124.2-110.8 -10.9 27.8 8.2 -26.3 317 363 A S S < S+ 0 0 56 -4,-2.5 216,-2.1 -5,-0.3 2,-0.3 0.831 88.0 78.3 59.1 33.9 28.6 7.2 -22.7 318 364 A S E -Q 532 0H 19 -6,-0.4 2,-0.4 214,-0.2 -2,-0.3 -0.981 62.6-152.2-162.9 157.8 32.2 7.1 -24.0 319 365 A L E -Q 531 0H 1 212,-2.7 212,-2.8 -2,-0.3 2,-0.5 -0.997 4.8-172.1-138.5 134.7 35.2 9.3 -24.9 320 366 A Q E -Q 530 0H 88 -2,-0.4 2,-0.3 210,-0.2 210,-0.2 -0.908 20.3-175.1-123.7 99.6 38.0 8.7 -27.3 321 367 A I E -Q 529 0H 6 208,-3.0 208,-2.1 -2,-0.5 2,-0.3 -0.727 11.2-149.8 -95.9 144.2 40.6 11.4 -26.9 322 368 A E S S+ 0 0 144 -2,-0.3 206,-0.2 1,-0.2 205,-0.1 -0.824 77.4 11.1-111.2 156.4 43.7 12.0 -29.0 323 369 A S S S+ 0 0 63 203,-0.5 -1,-0.2 -2,-0.3 -26,-0.2 0.930 77.1 167.5 38.2 59.0 47.1 13.5 -27.8 324 370 A F + 0 0 1 203,-2.4 -27,-2.3 -3,-0.3 -24,-0.2 0.945 54.0 56.8 -66.6 -51.3 45.8 13.2 -24.3 325 371 A L B S-P 296 0G 1 -29,-0.2 -29,-0.3 202,-0.2 -30,-0.1 -0.489 93.8-107.3 -79.2 154.4 49.1 13.9 -22.5 326 372 A N > - 0 0 15 -31,-2.5 4,-2.5 -2,-0.1 5,-0.1 -0.064 33.9 -97.2 -73.2-178.9 51.0 17.1 -23.2 327 373 A D H > S+ 0 0 126 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.852 118.4 56.0 -73.7 -36.5 54.2 17.3 -25.2 328 374 A D H > S+ 0 0 101 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.955 117.5 35.0 -61.0 -49.5 56.7 17.3 -22.3 329 375 A K H > S+ 0 0 28 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.891 113.7 58.2 -72.4 -40.9 55.2 14.0 -21.0 330 376 A S H X S+ 0 0 10 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.885 110.2 43.9 -55.7 -43.7 54.5 12.5 -24.4 331 377 A E H X S+ 0 0 120 -4,-2.1 4,-3.0 2,-0.2 -1,-0.2 0.936 113.7 49.9 -67.8 -49.0 58.2 12.8 -25.4 332 378 A L H X S+ 0 0 77 -4,-1.7 4,-2.6 -5,-0.2 5,-0.3 0.938 114.0 44.7 -55.7 -50.3 59.5 11.5 -22.1 333 379 A L H X S+ 0 0 3 -4,-3.0 4,-2.5 1,-0.2 5,-0.3 0.918 114.4 48.7 -63.0 -43.6 57.3 8.5 -22.1 334 380 A K H X S+ 0 0 57 -4,-2.1 4,-2.8 -5,-0.3 5,-0.3 0.922 112.5 49.4 -60.6 -44.0 58.0 7.7 -25.7 335 381 A K H X S+ 0 0 157 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.958 115.4 41.1 -59.7 -55.3 61.8 8.1 -25.1 336 382 A V H X S+ 0 0 12 -4,-2.6 4,-2.0 2,-0.2 85,-0.3 0.862 118.2 47.0 -65.7 -36.8 61.9 5.8 -22.1 337 383 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.3 -2,-0.2 0.942 114.0 45.9 -70.4 -48.2 59.5 3.2 -23.6 338 384 A K H X S+ 0 0 97 -4,-2.8 4,-2.6 -5,-0.3 5,-0.3 0.936 111.6 54.5 -56.2 -46.8 61.3 3.1 -27.0 339 385 A Q H X S+ 0 0 38 -4,-2.5 4,-2.3 -5,-0.3 5,-0.3 0.918 110.6 44.8 -53.1 -50.1 64.6 2.8 -25.1 340 386 A K H X S+ 0 0 19 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.891 113.6 50.0 -62.2 -43.4 63.3 -0.2 -23.1 341 387 A E H < S+ 0 0 43 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.868 120.5 35.2 -60.7 -39.5 61.8 -1.9 -26.3 342 388 A L H < S+ 0 0 143 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.739 129.4 25.8 -90.7 -25.7 65.0 -1.5 -28.2 343 389 A E H < S+ 0 0 73 -4,-2.3 2,-0.3 -5,-0.3 -3,-0.2 0.499 106.6 67.1-123.0 -8.9 67.8 -1.9 -25.7 344 390 A Q S < S- 0 0 19 -4,-1.5 2,-0.4 -5,-0.3 73,-0.1 -0.830 77.0-111.9-119.4 156.3 66.5 -4.1 -22.8 345 391 A E - 0 0 182 71,-0.6 -3,-0.1 -2,-0.3 -4,-0.0 -0.741 24.1-144.4 -92.0 130.6 65.5 -7.7 -22.6 346 392 A C - 0 0 23 -2,-0.4 2,-0.1 -5,-0.1 7,-0.1 -0.754 23.9-114.2 -90.2 132.4 61.8 -8.6 -22.0 347 393 A P - 0 0 34 0, 0.0 3,-0.1 0, 0.0 6,-0.1 -0.468 27.7-173.7 -65.5 139.1 61.1 -11.6 -19.9 348 394 A Y + 0 0 84 -2,-0.1 2,-0.3 1,-0.1 3,-0.1 -0.011 66.2 54.1-121.6 25.0 59.4 -14.3 -21.9 349 395 A H S > S- 0 0 61 1,-0.1 3,-1.3 -171,-0.1 4,-0.5 -0.965 82.9-121.9-154.4 140.9 58.6 -16.7 -19.1 350 396 A S G > S+ 0 0 7 -2,-0.3 3,-1.0 1,-0.3 9,-0.1 0.832 112.2 58.8 -55.2 -32.9 56.8 -16.1 -15.8 351 397 A K G 3 S+ 0 0 133 1,-0.2 -1,-0.3 -3,-0.1 29,-0.0 0.773 103.2 52.9 -66.1 -26.2 59.9 -17.3 -13.8 352 398 A D G < S+ 0 0 91 -3,-1.3 2,-0.4 2,-0.1 -1,-0.2 0.477 82.8 109.2 -90.7 -2.8 62.0 -14.5 -15.4 353 399 A V < - 0 0 4 -3,-1.0 2,-0.2 -4,-0.5 6,-0.1 -0.626 50.4-171.3 -79.0 124.7 59.6 -11.7 -14.5 354 400 A K > - 0 0 151 -2,-0.4 3,-2.4 1,-0.1 -2,-0.1 -0.690 27.6 -37.0-114.6 164.3 61.0 -9.4 -11.8 355 401 A A T 3 S+ 0 0 30 1,-0.4 -1,-0.1 -2,-0.2 3,-0.1 -0.283 119.2 27.1 -53.2 142.8 59.6 -6.5 -9.6 356 402 A P T 3 S+ 0 0 13 0, 0.0 16,-0.4 0, 0.0 -1,-0.4 -0.954 112.9 79.6 -87.5 15.1 57.8 -4.3 -10.2 357 403 A W < - 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