==== 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 LIGASE 19-SEP-09 3JXE . COMPND 2 MOLECULE: TRYPTOPHANYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR M.ZHOU,X.DONG,C.ZHONG,N.SHEN,B.YANG,J.DING . 724 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31117.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 518 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 4.6 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 39 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 284 39.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.8 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 0 5 4 5 3 3 4 0 0 0 2 2 0 0 0 0 0 0 0 0 1 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 2 0 0 5 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 PARALLEL BRIDGES PER LADDER . 4 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 1 A M 0 0 176 0, 0.0 2,-0.2 0, 0.0 20,-0.0 0.000 360.0 360.0 360.0 -64.2 -22.7 44.2 -1.0 2 2 A V - 0 0 61 15,-0.1 15,-0.1 1,-0.1 3,-0.0 -0.751 360.0-146.6-118.2 161.5 -23.4 46.2 2.2 3 3 A E + 0 0 135 -2,-0.2 2,-1.8 1,-0.1 -1,-0.1 0.446 56.3 111.5-109.4 -6.1 -23.5 45.3 5.9 4 4 A E + 0 0 168 2,-0.0 11,-0.3 12,-0.0 2,-0.2 -0.309 69.1 54.7 -87.8 60.2 -26.1 47.2 7.9 5 5 A F - 0 0 34 -2,-1.8 2,-0.5 9,-0.1 9,-0.2 -0.882 69.8-130.8-170.0 156.6 -28.7 44.6 8.8 6 6 A K E +A 13 0A 100 7,-2.2 7,-2.3 -2,-0.2 2,-0.4 -0.952 20.9 173.4-120.8 128.2 -28.6 41.2 10.7 7 7 A V E +A 12 0A 17 -2,-0.5 5,-0.2 5,-0.2 -2,-0.0 -0.838 19.7 145.3-134.2 96.8 -30.1 37.9 9.6 8 8 A T - 0 0 34 3,-3.2 3,-0.3 -2,-0.4 173,-0.1 -0.762 65.4 -96.4-118.4 168.5 -29.3 34.8 11.7 9 9 A P S S+ 0 0 5 0, 0.0 3,-0.1 0, 0.0 208,-0.1 0.436 127.3 31.6 -63.4 3.1 -31.4 31.7 12.6 10 10 A W S S+ 0 0 71 1,-0.3 2,-0.3 206,-0.1 207,-0.0 0.489 120.5 41.8-134.2 -16.1 -32.3 33.6 15.8 11 11 A E - 0 0 86 -3,-0.3 -3,-3.2 205,-0.1 2,-0.4 -0.999 44.2-176.8-142.8 137.7 -32.3 37.3 15.0 12 12 A V E +A 7 0A 11 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.919 23.0 172.9-131.1 108.0 -33.5 39.6 12.2 13 13 A E E -A 6 0A 101 -7,-2.3 -7,-2.2 -2,-0.4 239,-0.2 -0.915 37.9 -2.9-121.2 141.7 -32.5 43.3 12.7 14 14 A G S S- 0 0 26 237,-1.0 2,-0.5 -2,-0.4 -9,-0.1 -0.034 103.0 -27.7 78.7 179.9 -32.8 46.4 10.5 15 15 A V - 0 0 92 -11,-0.3 2,-0.4 236,-0.2 236,-0.2 -0.591 67.8-137.7 -73.3 117.3 -34.0 46.9 7.0 16 16 A V - 0 0 19 -2,-0.5 2,-0.7 234,-0.4 236,-0.1 -0.640 11.0-158.6 -83.5 126.0 -33.4 43.7 5.1 17 17 A D > - 0 0 49 -2,-0.4 4,-1.9 1,-0.1 5,-0.1 -0.924 5.6-170.2-100.4 109.4 -32.1 43.9 1.5 18 18 A Y H > S+ 0 0 48 -2,-0.7 4,-1.3 1,-0.2 -1,-0.1 0.762 81.3 58.2 -73.9 -27.1 -33.0 40.6 -0.1 19 19 A D H > S+ 0 0 126 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.883 111.5 41.0 -69.2 -40.6 -30.9 41.1 -3.2 20 20 A K H >> S+ 0 0 45 1,-0.2 4,-2.7 2,-0.2 3,-1.1 0.876 110.5 57.9 -73.0 -39.6 -27.7 41.5 -1.2 21 21 A L H 3X S+ 0 0 2 -4,-1.9 4,-2.3 1,-0.3 5,-0.3 0.823 98.0 61.6 -60.0 -34.0 -28.7 38.6 1.2 22 22 A I H 3<>S+ 0 0 20 -4,-1.3 5,-1.9 1,-0.2 4,-0.3 0.802 112.9 36.9 -62.0 -30.3 -28.9 36.3 -1.9 23 23 A K H <<5S+ 0 0 157 -3,-1.1 -2,-0.2 -4,-0.5 -1,-0.2 0.809 111.7 58.2 -91.6 -37.1 -25.2 37.0 -2.4 24 24 A H H <5S+ 0 0 64 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.879 119.3 32.1 -55.0 -42.3 -24.2 37.1 1.3 25 25 A F T <5S- 0 0 25 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.610 108.4-125.6 -93.5 -17.2 -25.6 33.6 1.6 26 26 A G T 5 + 0 0 50 -4,-0.3 2,-0.3 -5,-0.3 -3,-0.2 0.835 54.4 153.4 74.3 36.0 -24.7 32.5 -1.9 27 27 A T < - 0 0 7 -5,-1.9 -1,-0.2 -6,-0.2 32,-0.2 -0.710 45.2-112.4 -99.4 148.7 -28.2 31.3 -2.8 28 28 A S E -B 58 0B 59 30,-1.5 30,-3.2 -2,-0.3 2,-0.2 -0.568 30.6-113.4 -80.6 138.0 -29.7 31.2 -6.3 29 29 A P E -B 57 0B 76 0, 0.0 2,-1.3 0, 0.0 28,-0.3 -0.517 31.1-113.6 -68.7 135.2 -32.5 33.6 -7.3 30 30 A L - 0 0 11 26,-2.6 5,-0.1 -2,-0.2 27,-0.0 -0.586 42.1-141.5 -73.8 96.1 -35.8 31.8 -8.0 31 31 A T > - 0 0 49 -2,-1.3 4,-1.3 1,-0.1 3,-0.2 -0.076 14.6-116.9 -63.5 158.0 -36.1 32.5 -11.8 32 32 A E H > S+ 0 0 115 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.825 115.7 50.3 -63.4 -35.6 -39.3 33.3 -13.6 33 33 A D H > S+ 0 0 103 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.756 102.9 59.6 -76.8 -27.0 -39.1 30.2 -15.8 34 34 A L H > S+ 0 0 19 -3,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.856 105.9 49.2 -66.7 -36.6 -38.5 27.9 -12.7 35 35 A L H X S+ 0 0 14 -4,-1.3 4,-1.5 2,-0.2 -2,-0.2 0.886 112.7 46.6 -66.3 -41.6 -41.9 29.1 -11.4 36 36 A E H X S+ 0 0 129 -4,-1.3 4,-1.8 1,-0.2 -2,-0.2 0.762 104.7 61.8 -73.0 -26.5 -43.5 28.3 -14.7 37 37 A K H X S+ 0 0 58 -4,-1.7 4,-1.1 1,-0.2 -1,-0.2 0.855 106.4 46.0 -64.8 -36.9 -41.7 25.0 -14.8 38 38 A T H X S+ 0 0 3 -4,-1.1 4,-2.1 2,-0.2 6,-0.2 0.868 108.9 54.9 -71.8 -39.7 -43.6 24.0 -11.7 39 39 A A H <>S+ 0 0 28 -4,-1.5 5,-1.3 1,-0.2 4,-0.5 0.876 113.5 40.9 -62.1 -40.6 -46.9 25.2 -13.0 40 40 A E H <5S+ 0 0 132 -4,-1.8 -1,-0.2 3,-0.2 -2,-0.2 0.740 114.6 51.7 -80.3 -25.6 -46.7 23.1 -16.1 41 41 A L H <5S+ 0 0 32 -4,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.797 118.7 35.9 -82.4 -31.5 -45.3 20.0 -14.3 42 42 A T T <5S- 0 0 20 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.510 103.5-136.2 -93.6 -10.2 -48.1 20.1 -11.7 43 43 A K T 5 + 0 0 187 -4,-0.5 2,-0.3 -5,-0.2 -3,-0.2 0.803 69.4 91.9 56.6 36.3 -50.6 21.2 -14.4 44 44 A S S > - 0 0 17 0, 0.0 4,-1.7 0, 0.0 3,-1.5 -0.238 40.0 -93.0 -67.1 161.3 -50.4 29.8 -5.0 48 48 A I H 3> S+ 0 0 9 1,-0.3 4,-1.6 2,-0.2 6,-0.2 0.796 121.8 48.8 -41.5 -49.2 -50.3 33.5 -4.0 49 49 A F H 34>S+ 0 0 9 1,-0.2 5,-2.2 2,-0.2 6,-1.5 0.698 110.9 49.8 -74.7 -21.8 -46.9 33.5 -2.4 50 50 A F H X45S+ 0 0 6 -3,-1.5 3,-1.1 3,-0.2 -2,-0.2 0.933 114.2 40.6 -79.1 -50.2 -45.1 31.7 -5.3 51 51 A R H 3<5S+ 0 0 58 -4,-1.7 -2,-0.2 1,-0.3 -3,-0.1 0.787 114.3 52.4 -72.3 -28.7 -46.3 33.8 -8.2 52 52 A R T 3<5S- 0 0 36 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.1 0.301 115.0-118.2 -89.8 8.6 -46.0 37.1 -6.4 53 53 A K T < 5 + 0 0 91 -3,-1.1 -3,-0.2 2,-0.1 -2,-0.1 0.827 69.3 139.7 60.3 40.9 -42.4 36.1 -5.6 54 54 A F S S+ 0 0 36 -2,-0.3 4,-1.3 177,-0.2 177,-0.1 0.753 83.9 141.7 48.5 33.0 -31.0 23.2 -6.2 61 61 A Y H > + 0 0 7 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.856 69.8 57.1 -70.7 -34.5 -34.8 23.6 -6.9 62 62 A D H > S+ 0 0 78 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.818 104.6 53.7 -60.0 -33.0 -34.1 22.8 -10.6 63 63 A L H > S+ 0 0 44 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.836 104.8 53.6 -70.4 -35.5 -32.6 19.6 -9.3 64 64 A I H X S+ 0 0 0 -4,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.924 111.5 44.5 -63.1 -46.9 -35.8 18.7 -7.4 65 65 A L H X S+ 0 0 1 -4,-1.9 4,-2.1 2,-0.2 5,-0.2 0.860 111.8 53.2 -66.4 -38.4 -38.0 19.2 -10.5 66 66 A K H X S+ 0 0 92 -4,-1.8 4,-0.9 1,-0.2 -1,-0.2 0.881 110.0 48.5 -62.7 -40.6 -35.5 17.2 -12.6 67 67 A D H <>S+ 0 0 4 -4,-2.0 5,-1.9 2,-0.2 6,-1.0 0.832 111.0 51.3 -68.1 -34.6 -35.7 14.3 -10.1 68 68 A Y H ><5S+ 0 0 74 -4,-1.7 3,-1.6 4,-0.2 5,-0.2 0.944 109.2 45.9 -71.2 -50.7 -39.5 14.4 -10.0 69 69 A E H 3<5S+ 0 0 101 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.715 110.3 56.3 -67.5 -21.3 -40.2 14.2 -13.8 70 70 A E T 3<5S- 0 0 107 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.361 116.9-117.2 -91.7 3.2 -37.6 11.4 -14.1 71 71 A G T < 5S+ 0 0 68 -3,-1.6 -3,-0.2 1,-0.1 -2,-0.1 0.544 86.5 109.7 80.7 10.9 -39.6 9.5 -11.5 72 72 A R < - 0 0 103 -5,-1.9 -4,-0.2 1,-0.1 -5,-0.1 0.503 63.7-161.4 -93.8 -5.6 -37.0 9.2 -8.6 73 73 A G - 0 0 15 -6,-1.0 135,-0.5 -5,-0.2 2,-0.2 0.119 7.0-135.1 63.5-172.0 -39.0 11.6 -6.4 74 74 A F - 0 0 0 133,-0.2 33,-0.6 30,-0.1 2,-0.3 -0.896 10.3-116.4-162.0-172.8 -38.0 13.6 -3.4 75 75 A F E -de 107 209B 0 133,-1.7 135,-2.8 -2,-0.2 2,-0.3 -0.996 15.9-125.6-144.9 153.3 -39.2 14.6 0.1 76 76 A L E +de 108 210B 0 31,-3.1 33,-2.4 -2,-0.3 2,-0.3 -0.723 22.7 178.9 -98.6 142.8 -40.2 17.7 2.1 77 77 A Y E +d 109 0B 3 133,-2.2 2,-0.3 -2,-0.3 33,-0.2 -0.966 13.0 145.0-144.5 126.8 -38.8 18.9 5.4 78 78 A T E -d 110 0B 7 31,-1.8 33,-1.8 -2,-0.3 2,-0.3 -0.910 20.2-165.3-145.3 173.5 -39.7 22.0 7.4 79 79 A G E -d 111 0B 32 -2,-0.3 2,-0.3 31,-0.2 33,-0.2 -0.900 13.9-139.2-154.1-179.0 -39.8 22.8 11.1 80 80 A R E -d 112 0B 20 31,-2.4 33,-1.6 -2,-0.3 56,-0.0 -0.976 13.6-140.4-153.6 132.7 -40.9 25.1 14.0 81 81 A G - 0 0 12 -2,-0.3 2,-2.1 31,-0.2 3,-0.3 -0.865 19.7-145.5 -97.0 108.2 -39.3 26.2 17.2 82 82 A P + 0 0 0 0, 0.0 51,-0.2 0, 0.0 50,-0.2 -0.433 50.2 136.0 -78.7 73.4 -42.0 26.2 20.0 83 83 A S S S- 0 0 28 -2,-2.1 50,-0.0 1,-0.1 3,-0.0 0.540 80.0 -44.0 -90.9 -10.1 -40.8 29.3 22.0 84 84 A G S S- 0 0 7 -3,-0.3 -1,-0.1 45,-0.1 2,-0.1 -0.944 96.8 -17.5 174.3-158.6 -44.4 30.5 22.3 85 85 A P - 0 0 32 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.386 67.7-114.5 -70.1 151.4 -47.6 31.0 20.3 86 86 A M - 0 0 2 -2,-0.1 179,-2.2 49,-0.1 180,-0.6 -0.583 27.6-160.3 -88.7 148.5 -47.3 31.1 16.5 87 87 A H B >> -H 264 0C 2 177,-0.3 4,-1.0 -2,-0.2 3,-0.6 -0.640 39.3 -85.6-118.1 179.6 -48.0 34.0 14.2 88 88 A I H 3> S+ 0 0 1 175,-1.8 4,-0.9 1,-0.2 3,-0.3 0.798 123.0 56.3 -55.5 -35.8 -48.8 34.6 10.5 89 89 A G H 34 S+ 0 0 20 1,-0.2 3,-0.4 2,-0.2 -1,-0.2 0.882 104.4 52.6 -64.8 -40.8 -45.1 34.6 9.5 90 90 A H H <4 S+ 0 0 41 -3,-0.6 4,-0.4 1,-0.2 -1,-0.2 0.762 106.8 53.5 -65.7 -27.9 -44.5 31.2 11.0 91 91 A I H X S+ 0 0 0 -4,-1.0 4,-1.5 -3,-0.3 3,-0.3 0.717 88.3 76.3 -86.5 -22.0 -47.4 29.5 9.1 92 92 A I H X S+ 0 0 1 -4,-0.9 4,-2.2 -3,-0.4 3,-0.3 0.896 90.9 54.5 -59.6 -46.4 -46.5 30.5 5.5 93 93 A P H > S+ 0 0 14 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.897 108.8 51.3 -51.9 -40.1 -43.7 27.9 5.1 94 94 A F H > S+ 0 0 2 -4,-0.4 4,-1.8 -3,-0.3 -2,-0.2 0.812 107.2 51.5 -68.5 -33.8 -46.3 25.3 6.1 95 95 A F H X S+ 0 0 46 -4,-1.5 4,-1.8 -3,-0.3 -1,-0.2 0.857 111.7 47.4 -68.9 -37.7 -48.8 26.5 3.5 96 96 A A H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.875 112.2 50.2 -66.4 -39.6 -46.1 26.3 0.9 97 97 A T H X S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.819 107.3 55.2 -68.6 -33.0 -45.2 22.8 2.2 98 98 A K H X S+ 0 0 43 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.937 108.6 46.5 -62.6 -49.9 -48.9 21.9 2.0 99 99 A W H X S+ 0 0 26 -4,-1.8 4,-2.6 1,-0.2 5,-0.2 0.862 112.5 50.4 -62.0 -39.4 -49.1 22.8 -1.7 100 100 A L H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 5,-0.3 0.867 112.7 45.1 -70.5 -38.7 -45.9 21.0 -2.6 101 101 A Q H X S+ 0 0 8 -4,-2.0 4,-1.6 3,-0.2 5,-0.2 0.866 114.3 52.4 -68.5 -37.2 -47.0 17.8 -0.8 102 102 A E H < S+ 0 0 116 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.970 117.7 32.9 -61.4 -56.9 -50.4 18.1 -2.5 103 103 A K H < S+ 0 0 77 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.787 129.5 34.6 -76.9 -31.1 -49.2 18.5 -6.1 104 104 A F H < S- 0 0 10 -4,-1.8 -1,-0.2 -5,-0.2 -3,-0.2 0.612 93.3-138.3-100.2 -16.4 -46.1 16.3 -5.9 105 105 A G < + 0 0 33 -4,-1.6 2,-0.2 -5,-0.3 -4,-0.1 0.915 47.8 150.2 59.7 49.9 -47.4 13.6 -3.5 106 106 A V - 0 0 10 -6,-0.2 -1,-0.2 -5,-0.2 -31,-0.2 -0.647 50.2 -89.5-110.4 164.7 -44.2 13.3 -1.4 107 107 A N E -d 75 0B 30 -33,-0.6 -31,-3.1 -2,-0.2 2,-0.4 -0.371 38.0-151.9 -68.3 151.6 -43.3 12.5 2.2 108 108 A L E -df 76 150B 0 41,-2.0 43,-3.0 -33,-0.2 2,-0.5 -0.994 9.7-167.0-133.2 128.7 -43.1 15.3 4.7 109 109 A Y E -df 77 151B 5 -33,-2.4 -31,-1.8 -2,-0.4 2,-0.6 -0.969 6.0-167.2-116.4 123.4 -41.1 15.6 7.9 110 110 A I E -df 78 152B 0 41,-3.3 43,-2.4 -2,-0.5 2,-0.5 -0.940 6.6-156.3-115.3 114.6 -41.9 18.3 10.4 111 111 A Q E -df 79 153B 1 -33,-1.8 -31,-2.4 -2,-0.6 2,-0.8 -0.797 4.3-162.4 -95.7 122.9 -39.3 18.9 13.2 112 112 A I E -df 80 154B 0 41,-2.9 2,-2.1 -2,-0.5 43,-1.5 -0.878 10.9-155.6-104.7 101.4 -40.5 20.6 16.4 113 113 A T > + 0 0 3 -33,-1.6 4,-1.8 -2,-0.8 5,-0.2 -0.406 37.2 148.3 -84.8 65.7 -37.4 21.8 18.0 114 114 A D H > S+ 0 0 0 -2,-2.1 4,-0.8 1,-0.2 -1,-0.2 0.688 75.2 57.1 -70.2 -18.9 -38.5 21.9 21.7 115 115 A D H > S+ 0 0 0 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.903 105.1 50.5 -73.1 -44.1 -34.9 21.1 22.6 116 116 A E H > S+ 0 0 5 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.955 109.4 48.6 -55.9 -55.9 -33.6 24.2 20.7 117 117 A K H X S+ 0 0 27 -4,-1.8 4,-0.6 1,-0.2 7,-0.2 0.744 111.6 49.4 -67.1 -26.9 -35.9 26.7 22.3 118 118 A F H >< S+ 0 0 23 -4,-0.8 3,-0.6 -5,-0.2 -1,-0.2 0.951 116.6 42.2 -68.2 -51.7 -35.2 25.4 25.8 119 119 A L H 3< S+ 0 0 3 -4,-2.2 -2,-0.2 1,-0.2 72,-0.2 0.871 117.2 46.0 -62.1 -41.8 -31.4 25.6 25.2 120 120 A F H 3< S+ 0 0 42 -4,-3.1 2,-0.4 -5,-0.2 -1,-0.2 0.506 108.3 59.0 -87.4 -6.8 -31.4 29.0 23.4 121 121 A K << - 0 0 88 -3,-0.6 -1,-0.1 -4,-0.6 0, 0.0 -0.986 58.8-161.0-130.5 128.9 -33.7 30.9 25.8 122 122 A E S S+ 0 0 141 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.825 89.8 54.9 -75.0 -35.5 -33.2 31.5 29.5 123 123 A N S S+ 0 0 132 2,-0.0 2,-0.2 0, 0.0 -1,-0.2 0.877 95.4 81.5 -63.9 -40.2 -36.7 32.4 30.5 124 124 A L - 0 0 25 -7,-0.2 2,-0.2 -6,-0.1 -3,-0.1 -0.474 66.8-150.8 -79.0 134.4 -38.2 29.1 29.1 125 125 A T > - 0 0 71 -2,-0.2 4,-1.3 1,-0.1 5,-0.2 -0.661 28.9-113.7 -94.5 159.0 -38.0 25.8 31.0 126 126 A F H > S+ 0 0 20 -2,-0.2 4,-1.0 1,-0.2 5,-0.1 0.815 115.9 56.7 -61.2 -29.9 -37.9 22.5 29.2 127 127 A D H > S+ 0 0 124 1,-0.2 4,-1.1 2,-0.2 3,-0.4 0.929 108.3 41.9 -69.9 -48.1 -41.3 21.7 30.5 128 128 A D H > S+ 0 0 41 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.638 108.3 61.8 -78.4 -12.6 -43.2 24.8 29.1 129 129 A T H X S+ 0 0 0 -4,-1.3 4,-1.0 2,-0.2 -1,-0.2 0.789 103.4 49.5 -78.5 -29.6 -41.3 24.4 25.8 130 130 A K H X S+ 0 0 62 -4,-1.0 4,-1.6 -3,-0.4 -2,-0.2 0.791 106.8 57.8 -74.7 -31.6 -43.0 21.0 25.4 131 131 A R H >X S+ 0 0 145 -4,-1.1 4,-1.9 2,-0.2 3,-0.5 0.980 107.6 44.3 -57.2 -59.4 -46.3 22.6 26.2 132 132 A W H 3X S+ 0 0 64 -4,-1.7 4,-3.1 1,-0.2 -1,-0.2 0.779 105.2 66.0 -58.3 -29.7 -45.9 25.1 23.3 133 133 A A H 3X S+ 0 0 0 -4,-1.0 4,-2.4 -51,-0.2 -1,-0.2 0.951 104.6 42.5 -55.3 -52.8 -44.8 22.2 21.2 134 134 A Y H < S+ 0 0 0 -4,-2.3 3,-1.3 -3,-0.2 4,-0.4 0.933 113.5 44.6 -67.2 -48.1 -49.5 23.1 11.9 141 141 A I H >< S+ 0 0 7 -4,-3.3 3,-0.7 1,-0.3 4,-0.4 0.721 102.4 69.6 -69.6 -20.3 -51.9 20.2 11.5 142 142 A A T 3< S+ 0 0 5 -4,-1.2 -1,-0.3 -5,-0.4 -2,-0.2 0.617 86.0 67.8 -70.3 -14.6 -54.7 22.8 11.1 143 143 A V T < S- 0 0 3 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.2 0.836 114.4-114.7 -71.9 -33.3 -53.1 23.7 7.7 144 144 A G < - 0 0 22 -3,-0.7 2,-0.3 -4,-0.4 -2,-0.1 0.796 42.2-179.6 96.4 93.8 -54.1 20.2 6.4 145 145 A F - 0 0 14 -4,-0.4 5,-0.1 -44,-0.0 -47,-0.1 -0.800 42.7 -82.4-117.0 161.5 -51.5 17.7 5.5 146 146 A D > - 0 0 61 -2,-0.3 3,-0.7 1,-0.2 4,-0.3 -0.492 36.1-146.1 -61.8 119.2 -51.6 14.1 4.1 147 147 A P T 3 S+ 0 0 45 0, 0.0 203,-0.3 0, 0.0 -1,-0.2 0.579 97.4 39.1 -67.9 -9.2 -52.2 11.9 7.2 148 148 A D T 3 S+ 0 0 66 201,-0.2 203,-0.5 202,-0.1 -2,-0.1 0.479 115.5 48.9-118.0 -10.1 -50.1 9.1 5.7 149 149 A K S < S+ 0 0 68 -3,-0.7 -41,-2.0 201,-0.1 2,-0.4 0.082 100.0 78.8-115.4 20.3 -47.3 11.1 4.0 150 150 A T E -f 108 0B 0 -4,-0.3 2,-0.5 -43,-0.2 202,-0.5 -0.994 50.8-170.3-138.5 132.9 -46.5 13.3 7.0 151 151 A F E -f 109 0B 0 -43,-3.0 -41,-3.3 -2,-0.4 2,-0.5 -0.974 5.2-172.0-123.3 116.7 -44.4 12.8 10.2 152 152 A I E +f 110 0B 0 193,-2.7 2,-0.3 -2,-0.5 -41,-0.2 -0.941 19.1 166.7-108.9 122.3 -44.5 15.5 13.0 153 153 A F E -f 111 0B 1 -43,-2.4 -41,-2.9 -2,-0.5 2,-0.4 -0.962 33.5-135.5-138.8 151.3 -42.0 14.9 15.8 154 154 A Q E >> -f 112 0B 16 -2,-0.3 4,-2.7 -43,-0.2 3,-1.3 -0.896 22.2-133.6-102.8 137.5 -40.5 16.6 18.8 155 155 A N T 34 S+ 0 0 0 -43,-1.5 7,-0.2 -2,-0.4 6,-0.1 0.780 107.2 54.9 -59.5 -30.0 -36.7 16.2 19.2 156 156 A S T 34 S+ 0 0 11 1,-0.1 -1,-0.3 370,-0.1 3,-0.2 0.699 119.3 32.5 -75.0 -21.5 -37.2 15.4 22.9 157 157 A E T <4 S+ 0 0 45 -3,-1.3 2,-1.9 1,-0.2 -2,-0.2 0.874 119.5 45.4-101.3 -60.2 -39.6 12.6 22.1 158 158 A F S >< S+ 0 0 3 -4,-2.7 3,-1.4 1,-0.2 -1,-0.2 -0.554 73.0 170.6 -82.5 71.0 -38.4 11.1 18.8 159 159 A T T >> + 0 0 15 -2,-1.9 3,-1.6 1,-0.3 4,-0.6 0.393 49.6 98.6 -71.7 5.4 -34.8 11.1 20.1 160 160 A K H 3> + 0 0 53 1,-0.3 4,-2.0 2,-0.2 3,-0.3 0.742 66.4 76.3 -63.1 -22.2 -33.6 9.1 17.1 161 161 A I H <> S+ 0 0 0 -3,-1.4 4,-1.2 1,-0.2 -1,-0.3 0.789 86.4 61.3 -58.5 -28.7 -32.5 12.5 15.6 162 162 A Y H <> S+ 0 0 1 -3,-1.6 4,-1.2 2,-0.2 3,-0.4 0.937 107.7 41.9 -61.9 -47.0 -29.6 12.3 18.0 163 163 A E H < S+ 0 0 33 -4,-0.6 -2,-0.2 -3,-0.3 -1,-0.2 0.804 115.0 52.3 -67.9 -31.1 -28.4 9.1 16.3 164 164 A M H < S+ 0 0 20 -4,-2.0 4,-0.3 1,-0.2 -1,-0.2 0.683 110.7 48.9 -74.9 -19.9 -29.2 10.7 13.0 165 165 A A H X S+ 0 0 0 -4,-1.2 4,-2.0 -3,-0.4 -2,-0.2 0.671 87.8 82.4 -94.6 -21.8 -27.1 13.8 13.9 166 166 A I H X S+ 0 0 0 -4,-1.2 4,-1.0 1,-0.2 5,-0.2 0.872 86.3 56.1 -57.2 -45.2 -23.9 12.1 15.1 167 167 A P H >> S+ 0 0 36 0, 0.0 4,-0.9 0, 0.0 3,-0.9 0.947 115.4 37.6 -49.4 -53.7 -22.4 11.6 11.6 168 168 A I H 3> S+ 0 0 0 -4,-0.3 4,-3.1 1,-0.2 -2,-0.2 0.746 108.5 65.2 -71.5 -24.5 -22.6 15.3 10.8 169 169 A A H 3< S+ 0 0 0 -4,-2.0 384,-2.3 1,-0.2 385,-0.4 0.679 104.7 45.8 -71.3 -18.6 -21.7 16.2 14.4 170 170 A K H << S+ 0 0 17 -4,-1.0 -1,-0.2 -3,-0.9 -2,-0.2 0.696 114.8 48.1 -90.2 -27.5 -18.3 14.6 13.7 171 171 A K H < S+ 0 0 76 -4,-0.9 2,-0.7 -5,-0.2 -2,-0.2 0.920 92.1 83.4 -77.3 -48.1 -18.0 16.4 10.3 172 172 A I S < S- 0 0 0 -4,-3.1 380,-2.2 1,-0.0 381,-0.3 -0.463 74.7-146.3 -68.2 106.0 -18.9 19.9 11.6 173 173 A N B > -I 551 0D 27 -2,-0.7 4,-1.0 378,-0.2 378,-0.2 -0.350 14.2-126.6 -63.1 149.2 -15.8 21.4 13.0 174 174 A F H > S+ 0 0 0 376,-2.5 4,-2.1 2,-0.2 5,-0.2 0.850 107.8 59.3 -72.3 -35.3 -16.2 23.8 15.9 175 175 A S H > S+ 0 0 52 373,-1.8 4,-1.1 375,-0.3 -1,-0.2 0.912 108.9 45.9 -56.0 -42.8 -14.3 26.6 14.3 176 176 A M H > S+ 0 0 49 372,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.711 105.9 60.0 -77.2 -20.3 -16.9 26.5 11.5 177 177 A A H X S+ 0 0 1 -4,-1.0 4,-2.6 2,-0.2 6,-0.5 0.946 107.3 45.2 -66.8 -49.8 -19.8 26.3 13.9 178 178 A K H X S+ 0 0 40 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.804 114.6 51.4 -59.1 -32.7 -18.7 29.7 15.5 179 179 A A H < S+ 0 0 83 -4,-1.1 -2,-0.2 -5,-0.2 -1,-0.2 0.902 116.1 36.4 -75.2 -43.4 -18.3 31.1 12.0 180 180 A V H < S+ 0 0 53 -4,-2.1 -2,-0.2 1,-0.1 -3,-0.2 0.881 132.8 24.4 -78.4 -40.6 -21.7 30.1 10.5 181 181 A F H < S- 0 0 13 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.450 99.4-120.2-110.3 -4.1 -23.9 30.6 13.6 182 182 A G < + 0 0 53 -4,-1.0 -4,-0.2 -5,-0.4 -3,-0.1 0.779 45.4 174.7 70.1 29.2 -21.9 33.2 15.6 183 183 A F - 0 0 14 -6,-0.5 2,-0.2 9,-0.1 -1,-0.2 -0.372 11.0-160.3 -65.1 144.8 -21.4 31.1 18.7 184 184 A T > - 0 0 81 -2,-0.1 3,-2.1 4,-0.0 353,-0.2 -0.694 38.1 -91.1-120.0 175.2 -19.2 32.5 21.4 185 185 A E T 3 S+ 0 0 64 1,-0.3 353,-1.5 -2,-0.2 354,-0.2 0.619 125.5 58.8 -59.2 -12.1 -17.3 31.2 24.4 186 186 A Q T 3 S+ 0 0 135 351,-0.2 -1,-0.3 350,-0.1 -3,-0.0 0.435 81.2 109.7-102.2 -3.2 -20.4 31.9 26.4 187 187 A S S < S- 0 0 11 -3,-2.1 350,-3.4 349,-0.1 351,-0.3 -0.240 74.5-106.9 -65.3 159.9 -22.7 29.6 24.4 188 188 A K B >> -J 536 0E 37 348,-0.3 4,-2.1 349,-0.1 3,-0.6 -0.666 19.7-121.5 -91.5 149.0 -24.0 26.4 25.9 189 189 A I H 3> S+ 0 0 0 346,-2.3 4,-1.6 -2,-0.3 344,-0.2 0.838 117.1 54.3 -58.1 -32.8 -22.7 23.0 24.8 190 190 A G H 3> S+ 0 0 1 342,-2.6 4,-1.5 345,-0.3 -1,-0.3 0.837 106.0 52.7 -66.1 -35.6 -26.3 22.1 23.8 191 191 A M H <4 S+ 0 0 30 -3,-0.6 -2,-0.2 341,-0.5 -1,-0.2 0.916 109.2 48.4 -63.9 -45.7 -26.4 25.3 21.7 192 192 A I H < S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.2 4,-0.2 0.827 113.8 46.8 -66.4 -34.5 -23.2 24.4 19.8 193 193 A F H >X S+ 0 0 1 -4,-1.6 3,-2.0 -5,-0.2 4,-0.6 0.810 91.3 84.1 -76.1 -31.3 -24.4 20.8 19.1 194 194 A F H >X S+ 0 0 0 -4,-1.5 4,-1.8 1,-0.3 3,-1.3 0.761 73.8 68.2 -49.9 -42.1 -27.9 21.8 17.9 195 195 A P H 3> S+ 0 0 0 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.828 97.7 56.8 -50.1 -30.8 -27.0 22.6 14.2 196 196 A A H <> S+ 0 0 0 -3,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.865 105.7 51.1 -64.1 -37.2 -26.4 18.8 13.9 197 197 A I H << S+ 0 0 0 -3,-1.3 -1,-0.2 -4,-0.6 -3,-0.1 0.882 110.5 46.5 -67.6 -41.8 -30.0 18.2 15.1 198 198 A Q H < S+ 0 0 13 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.787 114.7 47.6 -73.6 -27.7 -31.6 20.6 12.6 199 199 A I H >< S+ 0 0 0 -4,-1.6 3,-2.1 -5,-0.3 4,-0.2 0.822 94.8 79.9 -78.2 -32.5 -29.5 19.2 9.7 200 200 A A G >< S+ 0 0 0 -4,-1.7 3,-2.4 1,-0.3 -2,-0.2 0.784 78.8 64.3 -46.2 -45.8 -30.4 15.6 10.7 201 201 A P G > S+ 0 0 0 0, 0.0 3,-1.4 0, 0.0 -1,-0.3 0.684 87.2 72.3 -59.6 -17.0 -33.9 15.4 9.1 202 202 A T G < S+ 0 0 4 -3,-2.1 3,-0.3 1,-0.3 32,-0.2 0.650 93.5 57.7 -68.5 -14.2 -32.3 15.8 5.7 203 203 A F G < S+ 0 0 17 -3,-2.4 -1,-0.3 -4,-0.2 -3,-0.1 0.014 71.5 105.3-104.2 25.2 -31.1 12.2 6.1 204 204 A F S < S+ 0 0 20 -3,-1.4 2,-0.3 1,-0.1 -1,-0.2 0.840 91.3 16.4 -69.9 -34.7 -34.5 10.7 6.6 205 205 A E S S- 0 0 31 -3,-0.3 -1,-0.1 2,-0.3 -130,-0.1 -0.925 71.8-123.4-135.4 160.6 -34.4 9.3 3.1 206 206 A R S S+ 0 0 160 -2,-0.3 28,-0.3 27,-0.1 3,-0.1 0.696 89.2 91.5 -74.1 -20.7 -31.8 8.6 0.4 207 207 A K S S- 0 0 83 1,-0.1 -2,-0.3 26,-0.1 27,-0.2 -0.251 94.4 -81.7 -69.6 161.7 -33.9 10.7 -2.0 208 208 A R - 0 0 22 -135,-0.5 -133,-1.7 -145,-0.1 2,-0.4 -0.286 45.7-131.9 -66.2 151.4 -33.2 14.5 -2.4 209 209 A C E -e 75 0B 4 -135,-0.2 28,-3.2 26,-0.1 2,-0.5 -0.881 12.3-159.6-113.7 138.0 -34.7 16.9 0.2 210 210 A L E -eg 76 237B 0 -135,-2.8 -133,-2.2 -2,-0.4 28,-0.2 -0.967 6.7-164.1-114.5 129.6 -36.6 20.1 -0.3 211 211 A I E - g 0 238B 2 26,-1.4 28,-2.4 -2,-0.5 2,-0.7 -0.890 3.3-164.7-118.3 100.5 -36.8 22.7 2.6 212 212 A P E + g 0 239B 0 0, 0.0 2,-0.3 0, 0.0 28,-0.2 -0.764 41.1 119.8 -80.0 113.4 -39.5 25.4 2.3 213 213 A A E - g 0 240B 9 26,-2.5 28,-2.2 -2,-0.7 2,-0.2 -0.894 64.4 -77.3-154.5-179.7 -38.6 28.1 4.9 214 214 A A E > - g 0 241B 15 26,-0.3 3,-1.9 -2,-0.3 4,-0.2 -0.556 50.2-102.0 -85.6 161.7 -37.6 31.8 5.3 215 215 A I G > S+ 0 0 0 26,-2.0 3,-1.3 1,-0.3 27,-0.1 0.692 113.4 73.4 -57.2 -21.7 -34.1 33.0 4.4 216 216 A D G 3 S+ 0 0 20 1,-0.3 -1,-0.3 25,-0.2 -205,-0.1 0.718 91.1 55.8 -68.1 -22.1 -33.1 33.1 8.1 217 217 A Q G X> S+ 0 0 37 -3,-1.9 3,-0.9 1,-0.2 4,-0.6 0.444 80.4 97.9 -89.6 0.4 -32.9 29.3 8.4 218 218 A D H X> + 0 0 0 -3,-1.3 4,-1.6 1,-0.2 3,-1.1 0.808 61.8 73.1 -63.0 -39.7 -30.4 29.0 5.5 219 219 A P H 3> S+ 0 0 11 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.828 96.1 54.5 -44.5 -39.2 -27.1 28.8 7.5 220 220 A Y H <> S+ 0 0 0 -3,-0.9 4,-1.6 1,-0.2 -2,-0.2 0.880 106.3 51.1 -60.2 -40.8 -28.0 25.3 8.5 221 221 A W H X S+ 0 0 1 -4,-1.6 4,-1.2 1,-0.2 3,-1.0 0.924 107.0 48.2 -58.1 -46.6 -25.5 20.4 5.3 225 225 A R H 3< S+ 0 0 44 -4,-1.8 4,-0.4 1,-0.3 -1,-0.2 0.711 102.0 65.1 -71.5 -21.6 -24.4 20.8 1.7 226 226 A D H 3< S+ 0 0 97 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.772 121.1 17.9 -68.4 -28.3 -20.7 21.0 2.8 227 227 A F H <>S+ 0 0 0 -4,-1.2 5,-2.6 1,-0.2 3,-0.7 0.912 85.5 44.5 -55.3 -52.0 -23.8 15.8 2.4 229 229 A E G >45S+ 0 0 111 -4,-0.4 3,-1.9 1,-0.2 -1,-0.2 0.920 110.3 53.3 -60.0 -48.9 -21.9 13.8 -0.3 230 230 A S G 345S+ 0 0 69 1,-0.3 -1,-0.2 -4,-0.1 -2,-0.2 0.624 110.3 50.0 -65.5 -13.2 -19.2 12.5 2.2 231 231 A L G <<5S- 0 0 36 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.408 124.0-105.4-101.9 -2.9 -22.1 11.2 4.3 232 232 A G T < 5S+ 0 0 42 -3,-1.9 2,-0.3 1,-0.3 -3,-0.2 0.782 83.0 104.5 86.2 31.5 -23.8 9.5 1.4 233 233 A Y S - 0 0 39 -2,-0.5 3,-1.4 3,-0.2 6,-0.2 -0.934 49.0-128.4-131.6 151.0 -41.7 38.6 16.0 256 256 A A T 3 S+ 0 0 35 -2,-0.3 6,-0.1 1,-0.3 -1,-0.1 0.629 104.3 77.6 -69.2 -14.6 -43.5 37.4 19.2 257 257 A S T 3 S+ 0 0 96 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.755 99.9 42.5 -64.0 -26.7 -41.0 39.6 21.0 258 258 A K S X S+ 0 0 117 -3,-1.4 3,-1.2 1,-0.1 -1,-0.3 -0.766 71.3 172.9-120.1 82.4 -43.3 42.5 19.9 259 259 A P G > S+ 0 0 68 0, 0.0 3,-0.9 0, 0.0 5,-0.1 0.753 73.6 65.2 -63.0 -26.1 -46.9 41.1 20.5 260 260 A E G 3 S+ 0 0 92 1,-0.2 -4,-0.1 -3,-0.1 -3,-0.0 0.768 107.3 39.5 -68.1 -28.2 -48.5 44.4 19.7 261 261 A T G < S+ 0 0 4 -3,-1.2 -14,-1.1 -6,-0.2 2,-0.4 0.224 104.9 80.7-108.1 12.0 -47.3 44.3 16.1 262 262 A A < - 0 0 0 -3,-0.9 2,-0.7 -4,-0.2 -16,-0.1 -0.968 65.0-146.1-123.2 133.6 -47.9 40.6 15.4 263 263 A I - 0 0 0 -2,-0.4 -175,-1.8 4,-0.0 -174,-0.1 -0.882 23.6-149.3 -97.7 111.9 -51.1 38.8 14.6 264 264 A Y B > -H 87 0C 21 -2,-0.7 3,-1.5 -177,-0.2 -177,-0.3 -0.458 21.4-123.5 -78.8 151.6 -51.1 35.4 16.1 265 265 A L T 3 S+ 0 0 0 -179,-2.2 -178,-0.1 1,-0.3 -1,-0.1 0.696 117.5 49.7 -62.9 -19.4 -52.9 32.4 14.6 266 266 A T T 3 S+ 0 0 69 -180,-0.6 -1,-0.3 65,-0.0 -179,-0.1 0.387 84.8 124.7-101.2 -0.7 -54.6 32.2 18.0 267 267 A D < - 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0 0 51 1,-0.1 4,-1.5 2,-0.0 5,-0.1 -0.981 59.2-163.2-124.2 120.2 -57.1 37.8 -6.3 296 315 A D H > S+ 0 0 76 -2,-0.5 4,-2.3 2,-0.2 5,-0.2 0.844 89.9 52.3 -70.0 -37.5 -54.5 39.8 -8.4 297 316 A K H > S+ 0 0 162 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.915 111.7 45.0 -66.2 -45.7 -57.0 42.2 -10.0 298 317 A K H > S+ 0 0 92 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.822 113.4 52.1 -67.0 -33.5 -58.5 43.3 -6.6 299 318 A L H X S+ 0 0 28 -4,-1.5 4,-1.4 2,-0.2 -2,-0.2 0.917 114.0 42.1 -66.5 -46.4 -54.9 43.6 -5.2 300 319 A K H X S+ 0 0 131 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.906 116.6 47.6 -68.1 -44.6 -53.8 45.8 -8.1 301 320 A E H X S+ 0 0 138 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.897 113.1 46.5 -66.4 -43.5 -57.0 47.9 -8.2 302 321 A R H X S+ 0 0 90 -4,-1.9 4,-0.8 2,-0.2 -1,-0.2 0.793 108.1 56.5 -72.6 -30.0 -57.2 48.6 -4.4 303 322 A Y H >X S+ 0 0 81 -4,-1.4 4,-3.0 2,-0.2 3,-0.5 0.941 113.0 39.6 -65.4 -48.9 -53.5 49.5 -4.1 304 323 A Y H 3X S+ 0 0 120 -4,-1.6 4,-1.8 1,-0.2 5,-0.3 0.739 111.0 60.0 -72.3 -24.6 -53.7 52.3 -6.8 305 324 A A H 3<>S+ 0 0 19 -4,-1.4 6,-2.9 -5,-0.2 5,-2.1 0.696 115.2 35.7 -72.1 -21.3 -57.1 53.2 -5.3 306 325 A C H <<5S+ 0 0 41 -4,-0.8 -2,-0.2 -3,-0.5 -3,-0.2 0.801 114.7 55.0 -95.7 -41.1 -55.3 53.9 -2.0 307 326 A K H <5S+ 0 0 141 -4,-3.0 -3,-0.2 1,-0.2 -2,-0.2 0.924 116.3 36.4 -58.8 -50.4 -52.0 55.3 -3.5 308 327 A N T <5S- 0 0 112 -4,-1.8 -1,-0.2 -5,-0.1 -3,-0.1 0.740 121.4-106.8 -78.3 -26.1 -53.8 58.0 -5.5 309 328 A G T 5S+ 0 0 55 -5,-0.3 -3,-0.2 -4,-0.1 -4,-0.1 0.798 80.5 123.5 106.2 37.2 -56.4 58.6 -2.8 310 329 A E S - 0 0 96 -2,-0.4 4,-1.9 1,-0.1 5,-0.1 -0.443 23.3-116.5 -72.4 151.2 -59.8 56.4 2.8 313 332 A C H > S+ 0 0 77 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.861 115.4 52.4 -54.6 -39.8 -57.2 55.0 5.2 314 333 A G H > S+ 0 0 32 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.883 110.3 44.9 -66.2 -43.6 -60.0 53.8 7.5 315 334 A E H > S+ 0 0 98 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.784 112.1 56.5 -69.3 -28.2 -61.9 51.9 4.7 316 335 A C H X S+ 0 0 5 -4,-1.9 4,-0.9 1,-0.2 -2,-0.2 0.912 110.1 39.8 -72.4 -46.5 -58.6 50.5 3.5 317 336 A K H X S+ 0 0 18 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.626 107.5 64.6 -80.4 -14.6 -57.5 48.9 6.8 318 337 A R H X S+ 0 0 109 -4,-1.0 4,-1.8 2,-0.2 -1,-0.2 0.836 102.5 50.4 -68.1 -35.6 -61.1 47.7 7.4 319 338 A Y H X S+ 0 0 25 -4,-1.0 4,-1.6 2,-0.2 -2,-0.2 0.815 108.1 51.8 -71.4 -35.0 -60.6 45.6 4.3 320 339 A L H X S+ 0 0 3 -4,-0.9 4,-2.4 2,-0.2 5,-0.3 0.945 108.8 50.3 -63.5 -51.1 -57.3 44.2 5.8 321 340 A I H X S+ 0 0 4 -4,-2.0 4,-1.6 1,-0.2 5,-0.2 0.896 107.0 56.1 -54.3 -44.5 -59.1 43.2 9.0 322 341 A S H X S+ 0 0 45 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.915 110.8 43.5 -52.2 -50.2 -61.8 41.5 7.0 323 342 A K H X S+ 0 0 50 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.915 116.8 43.3 -66.5 -47.7 -59.3 39.2 5.2 324 343 A I H X S+ 0 0 0 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.643 113.8 53.7 -77.1 -13.8 -57.1 38.3 8.2 325 344 A Q H X S+ 0 0 43 -4,-1.6 4,-1.8 -5,-0.3 -1,-0.2 0.815 107.2 50.4 -84.8 -36.9 -60.3 37.8 10.3 326 345 A E H X S+ 0 0 111 -4,-1.8 4,-1.7 -5,-0.2 -2,-0.2 0.897 112.9 46.5 -64.6 -44.0 -61.7 35.4 7.7 327 346 A F H X S+ 0 0 37 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.902 113.0 48.2 -65.6 -45.3 -58.5 33.4 7.7 328 347 A L H X S+ 0 0 5 -4,-1.2 4,-2.6 2,-0.2 5,-0.2 0.832 109.2 53.4 -66.0 -35.0 -58.1 33.3 11.5 329 348 A K H X S+ 0 0 168 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.904 113.6 43.8 -64.3 -42.4 -61.8 32.2 11.9 330 349 A E H X S+ 0 0 85 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.888 115.7 47.2 -67.2 -43.4 -61.1 29.3 9.4 331 350 A H H X S+ 0 0 7 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.919 111.6 48.7 -66.5 -46.7 -57.7 28.4 11.1 332 351 A Q H X S+ 0 0 63 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.787 109.0 54.5 -66.7 -30.6 -59.0 28.4 14.7 333 352 A R H X S+ 0 0 112 -4,-1.2 4,-1.1 -5,-0.2 3,-0.4 0.916 110.1 46.8 -63.6 -45.7 -62.0 26.2 13.6 334 353 A R H X S+ 0 0 97 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.786 101.8 65.9 -67.8 -31.5 -59.5 23.7 12.2 335 354 A R H X S+ 0 0 27 -4,-1.8 4,-1.0 2,-0.2 -1,-0.2 0.877 101.6 48.5 -56.0 -42.2 -57.4 23.9 15.3 336 355 A K H < S+ 0 0 162 -4,-1.0 4,-0.3 -3,-0.4 -1,-0.2 0.840 113.2 47.4 -68.4 -35.3 -60.2 22.3 17.3 337 356 A K H >< S+ 0 0 105 -4,-1.1 3,-0.7 1,-0.2 -2,-0.2 0.763 106.0 60.1 -73.3 -28.0 -60.6 19.6 14.6 338 357 A A H >< S+ 0 0 2 -4,-2.0 3,-2.4 1,-0.2 4,-0.5 0.765 85.2 78.2 -70.7 -27.5 -56.8 19.1 14.7 339 358 A E T 3< S+ 0 0 98 -4,-1.0 3,-0.4 1,-0.3 -1,-0.2 0.768 95.4 47.0 -53.4 -32.0 -56.9 18.1 18.4 340 359 A K T < S+ 0 0 173 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.1 0.212 107.9 56.2 -98.7 12.8 -58.2 14.6 17.5 341 360 A L S <> S+ 0 0 71 -3,-2.4 4,-1.7 2,-0.1 3,-0.3 0.316 75.5 96.8-120.9 3.3 -55.6 14.0 14.7 342 361 A V H > S+ 0 0 15 -4,-0.5 4,-1.4 -3,-0.4 5,-0.2 0.902 82.6 52.8 -61.2 -44.6 -52.4 14.6 16.8 343 362 A E H >>S+ 0 0 124 -4,-0.2 5,-2.9 1,-0.2 4,-2.2 0.800 107.4 53.7 -60.5 -32.1 -51.9 10.9 17.3 344 363 A K H 4>S+ 0 0 73 -3,-0.3 5,-2.5 4,-0.2 8,-0.3 0.941 112.1 40.4 -70.7 -49.6 -52.1 10.2 13.6 345 364 A F H <5S+ 0 0 4 -4,-1.7 -193,-2.7 1,-0.2 -1,-0.2 0.674 125.2 38.6 -74.2 -18.6 -49.4 12.7 12.5 346 365 A K H <5S- 0 0 12 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.776 138.4 -14.9-100.6 -34.1 -47.2 11.8 15.4 347 366 A Y T <5S+ 0 0 27 -4,-2.2 -3,-0.2 -5,-0.2 9,-0.2 0.625 123.3 50.5-135.4 -57.3 -47.5 8.0 15.8 348 367 A T T S+ 0 0 111 -203,-0.3 4,-1.5 2,-0.2 -202,-0.1 0.922 121.9 32.8 -54.2 -55.2 -48.5 5.4 7.7 351 370 A L H > S+ 0 0 0 -203,-0.5 4,-2.5 2,-0.2 5,-0.2 0.927 117.4 55.6 -68.2 -47.0 -45.2 7.4 7.7 352 371 A A H > S+ 0 0 0 -202,-0.5 4,-2.0 -8,-0.3 -2,-0.2 0.837 108.2 49.4 -55.4 -37.6 -45.3 8.0 11.5 353 372 A Q H X S+ 0 0 67 -4,-2.8 4,-1.3 2,-0.2 -1,-0.2 0.897 109.7 51.0 -69.0 -43.0 -45.5 4.3 12.1 354 373 A E H < S+ 0 0 96 -4,-1.5 3,-0.4 -5,-0.2 -2,-0.2 0.935 112.8 45.8 -58.3 -50.2 -42.6 3.5 9.8 355 374 A M H >< S+ 0 0 26 -4,-2.5 3,-0.6 1,-0.2 -2,-0.2 0.888 111.0 51.6 -61.3 -44.3 -40.4 6.0 11.5 356 375 A W H >< S+ 0 0 42 -4,-2.0 3,-1.3 1,-0.3 -1,-0.2 0.706 88.8 81.0 -70.0 -20.0 -41.3 4.9 15.0 357 376 A N T 3< + 0 0 106 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.1 0.096 66.6 91.9 -72.9 25.2 -40.5 1.3 14.1 358 377 A E T < + 0 0 98 -3,-0.6 2,-0.4 2,-0.1 -1,-0.3 0.271 58.8 107.5 -97.9 3.9 -36.9 2.4 14.7 359 378 A A S < S- 0 0 47 -3,-1.3 3,-0.2 1,-0.1 162,-0.1 -0.718 91.5 -90.0 -77.2 130.7 -37.4 1.1 18.3 360 379 A I - 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