==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE/DNA 25-MAR-13 4JUO . COMPND 2 MOLECULE: DNA TOPOISOMERASE 4 SUBUNIT A; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR I.LAPONOGOV,D.A.VESELKOV,X.-S.PAN,I.CREVEL,L.M.FISHER,M.R.SA . 1025 15 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47472.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 747 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 136 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.6 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 . 2 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 . 74 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 92 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 358 34.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.3 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 1 2 2 0 5 4 2 1 2 0 0 2 0 3 0 1 0 2 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 2 0 2 0 2 3 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 . 7 4 2 5 4 1 3 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 . 1 4 1 1 1 1 0 1 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 3 A N 0 0 120 0, 0.0 1001,-1.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -56.4 23.1 -4.6 74.8 2 4 A I E -a 1002 0A 63 999,-0.2 2,-0.4 1001,-0.0 1001,-0.2 -0.995 360.0-171.7-136.1 138.7 24.9 -3.5 78.0 3 5 A Q E -a 1003 0A 67 999,-0.8 1001,-1.4 -2,-0.4 2,-0.2 -0.996 20.8-131.1-130.1 131.5 24.6 -4.5 81.6 4 6 A N E +a 1004 0A 115 -2,-0.4 2,-0.3 999,-0.2 1001,-0.2 -0.491 23.8 174.4 -85.1 146.3 26.3 -2.8 84.6 5 7 A M E -a 1005 0A 45 999,-1.1 1001,-1.4 -2,-0.2 2,-0.1 -0.971 34.0-104.1-141.7 155.2 28.3 -4.3 87.4 6 8 A S E > -a 1006 0A 20 -2,-0.3 4,-3.1 999,-0.2 5,-0.2 -0.415 17.6-127.6 -78.4 152.2 30.2 -2.6 90.2 7 9 A L H > S+ 0 0 8 999,-0.9 4,-2.1 1,-0.2 5,-0.2 0.928 117.2 52.9 -57.9 -41.9 34.0 -2.3 90.2 8 10 A E H 4 S+ 0 0 16 1,-0.2 -1,-0.2 2,-0.2 999,-0.1 0.817 113.7 41.8 -62.4 -33.4 33.6 -3.9 93.7 9 11 A D H >> S+ 0 0 104 2,-0.2 4,-2.1 3,-0.1 3,-1.1 0.879 111.2 53.3 -81.8 -43.7 31.6 -6.8 92.3 10 12 A I H 3X S+ 0 0 12 -4,-3.1 4,-1.6 1,-0.3 5,-0.2 0.975 109.1 49.0 -55.9 -55.7 33.6 -7.4 89.1 11 13 A M H 3X S+ 0 0 0 -4,-2.1 4,-0.7 1,-0.2 -1,-0.3 0.545 112.1 54.0 -63.4 -4.7 36.9 -7.7 91.1 12 14 A G H <> S+ 0 0 12 -3,-1.1 4,-1.4 2,-0.2 5,-0.2 0.867 107.7 42.1 -96.9 -46.9 35.0 -10.1 93.4 13 15 A E H X S+ 0 0 60 -4,-2.1 4,-0.7 -3,-0.2 -2,-0.2 0.694 121.1 47.3 -72.4 -19.4 33.6 -12.7 91.1 14 16 A R H X S+ 0 0 84 -4,-1.6 4,-2.6 -5,-0.3 5,-0.2 0.943 113.0 41.0 -86.7 -55.0 36.9 -12.7 89.2 15 17 A F H X S+ 0 0 11 -4,-0.7 4,-2.7 -5,-0.2 5,-0.2 0.809 116.9 50.8 -68.5 -28.3 39.5 -12.9 91.9 16 18 A G H X S+ 0 0 10 -4,-1.4 4,-2.5 2,-0.2 5,-0.3 0.942 110.1 50.1 -67.6 -47.7 37.5 -15.5 93.8 17 19 A R H X S+ 0 0 47 -4,-0.7 4,-1.3 -5,-0.2 -2,-0.2 0.931 118.4 38.4 -54.5 -50.7 37.1 -17.5 90.6 18 20 A Y H X S+ 0 0 29 -4,-2.6 4,-2.3 2,-0.2 3,-0.3 0.948 114.5 52.8 -66.6 -53.3 40.9 -17.4 90.0 19 21 A S H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 151,-0.3 0.937 108.8 49.7 -48.2 -58.2 42.0 -17.8 93.6 20 22 A K H X S+ 0 0 71 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.861 113.8 46.2 -48.5 -42.8 39.9 -20.9 94.2 21 23 A Y H X S+ 0 0 52 -4,-1.3 4,-3.1 -3,-0.3 -1,-0.2 0.881 110.3 50.1 -75.1 -39.3 41.2 -22.6 91.1 22 24 A I H X>S+ 0 0 6 -4,-2.3 5,-1.7 1,-0.2 4,-0.5 0.830 116.3 44.4 -71.0 -31.9 45.0 -21.8 91.6 23 25 A I H <5S+ 0 0 0 -4,-2.1 5,-0.3 -5,-0.3 -2,-0.2 0.907 125.4 29.7 -76.3 -46.3 44.7 -23.2 95.1 24 26 A Q H <5S+ 0 0 39 -4,-2.3 -2,-0.2 -5,-0.3 -3,-0.2 0.863 133.3 25.5 -80.2 -36.8 42.7 -26.3 94.4 25 27 A D H <5S+ 0 0 59 -4,-3.1 -1,-0.2 -5,-0.2 -3,-0.1 -0.131 123.0 21.4-131.2 29.7 43.8 -27.1 90.8 26 28 A R T <5S+ 0 0 70 -4,-0.5 12,-0.3 -3,-0.2 -3,-0.1 0.073 113.5 26.9-153.1 -82.5 47.3 -25.7 90.0 27 29 A A S -g 330 0B 19 5,-1.8 4,-2.0 299,-0.2 301,-0.2 -0.612 27.0-132.1 -68.7 133.2 47.1 -33.0 97.2 31 33 A I T 4 S+ 0 0 3 299,-2.3 129,-0.2 -2,-0.3 -1,-0.1 0.773 99.0 50.8 -63.3 -27.7 48.1 -34.1 100.7 32 34 A R T 4 S+ 0 0 61 298,-0.4 128,-0.3 1,-0.1 -1,-0.2 0.942 126.9 15.4 -76.6 -53.3 47.4 -37.8 100.0 33 35 A D T 4 S- 0 0 0 2,-0.2 -2,-0.2 126,-0.1 126,-0.1 0.541 94.4-129.8-102.1 -7.9 49.4 -38.6 96.8 34 36 A G < + 0 0 2 -4,-2.0 2,-0.4 1,-0.2 -3,-0.1 0.622 61.6 129.5 71.9 16.9 51.5 -35.4 96.8 35 37 A L - 0 0 2 -5,-0.2 -5,-1.8 -7,-0.1 -1,-0.2 -0.832 54.5-136.7-108.2 139.2 50.8 -34.4 93.2 36 38 A K >> - 0 0 40 -2,-0.4 4,-2.2 -7,-0.2 3,-0.8 -0.557 42.3-102.2 -74.1 154.6 49.7 -31.1 91.6 37 39 A P H 3> S+ 0 0 11 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.889 120.7 55.1 -47.9 -46.2 47.0 -31.7 89.0 38 40 A V H 3> S+ 0 0 27 -12,-0.3 4,-2.3 1,-0.2 5,-0.1 0.862 110.3 46.1 -58.2 -37.6 49.4 -31.3 86.0 39 41 A Q H <> S+ 0 0 30 -3,-0.8 4,-2.8 2,-0.2 5,-0.2 0.925 110.6 51.1 -73.0 -45.0 51.7 -34.0 87.4 40 42 A R H X S+ 0 0 18 -4,-2.2 4,-3.1 2,-0.2 5,-0.2 0.917 112.3 48.2 -54.1 -45.5 48.8 -36.5 88.1 41 43 A R H X S+ 0 0 33 -4,-2.6 4,-3.1 -5,-0.2 5,-0.3 0.949 109.6 52.9 -63.7 -47.6 47.5 -36.0 84.6 42 44 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 5,-0.2 0.944 115.5 39.8 -45.4 -56.4 51.0 -36.5 83.2 43 45 A L H X S+ 0 0 0 -4,-2.8 4,-1.7 2,-0.2 -2,-0.2 0.891 116.7 49.6 -65.1 -41.4 51.4 -39.8 85.1 44 46 A Y H X S+ 0 0 32 -4,-3.1 4,-2.8 -5,-0.2 -2,-0.2 0.938 112.9 46.3 -64.8 -46.1 47.8 -40.9 84.4 45 47 A S H X S+ 0 0 0 -4,-3.1 4,-1.8 1,-0.2 -2,-0.2 0.903 112.4 48.2 -66.3 -43.1 48.0 -40.2 80.7 46 48 A M H <>S+ 0 0 0 -4,-2.3 5,-2.4 -5,-0.3 -1,-0.2 0.875 114.5 47.8 -67.6 -29.8 51.3 -41.9 80.2 47 49 A N H ><5S+ 0 0 46 -4,-1.7 3,-1.8 -5,-0.2 -2,-0.2 0.899 106.6 55.1 -77.7 -39.6 50.1 -44.9 82.1 48 50 A K H 3<5S+ 0 0 67 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.891 109.1 51.5 -55.0 -37.7 46.8 -45.1 80.2 49 51 A D T 3<5S- 0 0 43 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.322 113.9-117.2 -87.0 6.8 49.1 -45.3 77.1 50 52 A S T < 5 + 0 0 62 -3,-1.8 2,-1.8 1,-0.2 -3,-0.2 0.699 65.6 146.1 70.0 17.8 51.2 -48.1 78.4 51 53 A N < + 0 0 0 -5,-2.4 70,-2.4 -6,-0.2 -1,-0.2 -0.460 31.7 149.4 -87.2 64.2 54.3 -45.9 78.3 52 54 A T > - 0 0 22 -2,-1.8 3,-2.1 68,-0.2 71,-0.1 -0.404 64.1 -94.6-102.5 174.4 55.7 -47.6 81.3 53 55 A F T 3 S+ 0 0 78 69,-0.3 70,-0.1 1,-0.3 4,-0.1 0.743 120.2 54.8 -62.1 -27.2 59.2 -48.4 82.7 54 56 A D T 3 S+ 0 0 95 68,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.361 103.0 65.4 -91.9 2.7 59.3 -51.8 81.1 55 57 A K S < S- 0 0 104 -3,-2.1 3,-0.1 1,-0.1 -4,-0.0 -0.763 95.7 -69.2-124.4 171.7 58.6 -50.7 77.5 56 58 A S - 0 0 97 -2,-0.2 -1,-0.1 1,-0.1 63,-0.1 -0.170 56.6 -97.1 -61.5 147.9 60.3 -48.6 74.9 57 59 A Y - 0 0 51 61,-0.1 2,-0.4 63,-0.1 63,-0.2 -0.281 40.5-145.3 -58.0 149.5 60.8 -44.9 75.4 58 60 A R E -I 119 0C 50 61,-2.3 61,-3.1 -7,-0.1 5,-0.1 -0.939 29.5 -87.9-123.3 142.8 58.1 -42.9 73.6 59 61 A K E >> -I 118 0C 80 -2,-0.4 4,-1.8 59,-0.3 3,-0.5 -0.239 32.4-133.2 -52.4 126.9 58.6 -39.5 72.0 60 62 A S H 3> S+ 0 0 0 57,-2.0 4,-2.7 1,-0.2 5,-0.2 0.907 104.1 55.2 -45.1 -49.1 58.0 -36.7 74.5 61 63 A A H 3> S+ 0 0 32 53,-1.4 4,-2.2 56,-0.4 -1,-0.2 0.861 104.1 53.4 -61.8 -36.4 55.8 -34.7 72.1 62 64 A K H <> S+ 0 0 119 -3,-0.5 4,-1.8 52,-0.2 -1,-0.2 0.968 112.4 45.3 -59.3 -48.7 53.5 -37.6 71.5 63 65 A S H X S+ 0 0 1 -4,-1.8 4,-2.0 1,-0.2 3,-0.2 0.958 113.4 48.6 -60.2 -51.1 53.0 -37.9 75.3 64 66 A V H X S+ 0 0 1 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.880 109.0 53.2 -55.9 -44.6 52.5 -34.2 75.9 65 67 A G H X S+ 0 0 40 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.887 108.6 49.1 -61.1 -40.9 50.0 -33.9 73.1 66 68 A N H X S+ 0 0 56 -4,-1.8 4,-1.7 -3,-0.2 5,-0.3 0.872 110.1 51.3 -66.3 -38.4 47.8 -36.6 74.5 67 69 A I H X>S+ 0 0 0 -4,-2.0 5,-2.9 1,-0.2 4,-2.6 0.942 113.5 45.7 -61.8 -49.8 47.9 -35.1 77.9 68 70 A M H <5S+ 0 0 54 -4,-2.6 -2,-0.2 3,-0.2 -1,-0.2 0.887 116.2 43.9 -56.8 -44.8 46.8 -31.7 76.4 69 71 A G H <5S+ 0 0 42 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.738 125.8 29.8 -81.5 -21.3 44.1 -33.2 74.2 70 72 A N H <5S- 0 0 48 -4,-1.7 74,-0.3 -5,-0.2 77,-0.2 0.784 136.1 -3.0-107.3 -33.3 42.6 -35.5 76.8 71 73 A F T <5S+ 0 0 0 -4,-2.6 72,-0.5 -5,-0.3 -3,-0.2 0.699 112.6 57.8-132.6 -38.4 43.1 -34.0 80.3 72 74 A H < - 0 0 12 -5,-2.9 2,-2.4 -6,-0.1 -1,-0.2 -0.828 53.8-163.0-121.9 96.0 45.1 -30.8 80.6 73 75 A P + 0 0 63 0, 0.0 2,-0.2 0, 0.0 -5,-0.1 -0.266 58.6 89.5 -76.5 54.9 43.8 -27.7 78.7 74 76 A H S S- 0 0 46 -2,-2.4 -2,-0.1 1,-0.2 5,-0.0 -0.773 82.7 -53.4-138.6-176.8 47.0 -25.6 78.9 75 77 A G > - 0 0 36 -2,-0.2 4,-1.4 1,-0.1 -1,-0.2 -0.152 37.3-132.7 -60.0 154.1 50.2 -24.9 77.0 76 78 A D H > S+ 0 0 75 2,-0.2 4,-3.7 1,-0.2 5,-0.3 0.870 104.2 64.4 -76.4 -38.3 52.6 -27.7 76.1 77 79 A S H > S+ 0 0 69 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.948 105.5 45.5 -43.9 -54.4 55.6 -25.8 77.4 78 80 A S H > S+ 0 0 72 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.909 115.3 45.6 -62.8 -44.4 54.0 -26.0 80.9 79 81 A I H X S+ 0 0 0 -4,-1.4 4,-2.6 2,-0.2 -1,-0.2 0.956 116.0 46.8 -61.2 -49.0 53.2 -29.7 80.6 80 82 A Y H X S+ 0 0 11 -4,-3.7 4,-3.3 1,-0.2 5,-0.2 0.952 111.8 49.2 -60.8 -51.0 56.5 -30.5 79.1 81 83 A D H X S+ 0 0 95 -4,-3.4 4,-2.4 -5,-0.3 -1,-0.2 0.869 112.3 49.9 -55.6 -39.0 58.5 -28.5 81.8 82 84 A A H X S+ 0 0 20 -4,-2.0 4,-2.1 -5,-0.3 -1,-0.2 0.926 112.6 46.6 -64.1 -44.1 56.5 -30.3 84.4 83 85 A M H < S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.900 112.8 50.1 -63.5 -43.3 57.2 -33.7 82.8 84 86 A V H >X S+ 0 0 4 -4,-3.3 3,-2.1 -5,-0.2 4,-0.8 0.933 107.8 53.2 -61.5 -46.2 60.9 -32.8 82.5 85 87 A R H >< S+ 0 0 71 -4,-2.4 3,-2.0 1,-0.3 6,-0.2 0.951 102.1 57.9 -57.7 -48.6 61.1 -31.7 86.2 86 88 A M T 3< S+ 0 0 3 -4,-2.1 11,-1.7 1,-0.3 10,-1.4 0.488 108.6 49.9 -59.3 -1.6 59.7 -35.1 87.3 87 89 A S T <4 S+ 0 0 7 -3,-2.1 2,-0.6 9,-0.2 -1,-0.3 0.511 83.9 99.2-112.7 -12.5 62.6 -36.7 85.5 88 90 A Q XX - 0 0 25 -3,-2.0 4,-2.3 -4,-0.8 3,-1.1 -0.683 58.1-158.7 -82.1 121.1 65.5 -34.6 86.9 89 91 A N T 34 S+ 0 0 105 -2,-0.6 -1,-0.1 1,-0.3 6,-0.1 0.436 88.7 59.7 -85.8 1.3 67.1 -36.6 89.7 90 92 A W T 34 S+ 0 0 44 123,-0.1 170,-0.5 122,-0.1 123,-0.3 0.377 114.1 37.4-101.0 -2.8 68.6 -33.5 91.4 91 93 A K T <4 S+ 0 0 30 -3,-1.1 2,-0.5 1,-0.2 -2,-0.2 0.643 117.2 54.2-111.8 -34.1 65.1 -32.0 91.9 92 94 A N >< - 0 0 12 -4,-2.3 3,-0.5 -7,-0.2 -1,-0.2 -0.905 61.9-157.8-109.2 126.5 63.3 -35.3 92.7 93 95 A R T 3 S+ 0 0 22 -2,-0.5 2,-0.3 1,-0.3 -1,-0.1 0.862 99.7 20.5 -64.6 -35.8 64.5 -37.7 95.5 94 96 A E T 3 S- 0 0 24 65,-0.1 -1,-0.3 -3,-0.1 69,-0.1 -0.763 93.0-140.7-133.8 88.2 62.7 -40.5 93.7 95 97 A I < - 0 0 46 -3,-0.5 30,-0.3 -2,-0.3 29,-0.2 -0.151 13.6-167.3 -58.7 141.8 62.1 -39.6 89.9 96 98 A L S S+ 0 0 5 -10,-1.4 26,-1.9 1,-0.1 2,-0.4 0.465 72.0 51.4-105.3 -9.7 58.7 -40.6 88.4 97 99 A V E -J 121 0C 0 -11,-1.7 2,-0.5 24,-0.3 24,-0.2 -0.999 66.1-153.2-132.6 131.2 59.7 -40.0 84.7 98 100 A E E -J 120 0C 61 22,-2.8 22,-1.6 -2,-0.4 2,-0.4 -0.934 18.7-170.4-101.3 128.1 62.7 -41.4 82.9 99 101 A M E -J 119 0C 20 -2,-0.5 2,-0.6 -12,-0.2 20,-0.2 -0.969 15.9-144.1-127.0 131.3 63.7 -39.2 79.9 100 102 A H E +J 118 0C 91 18,-3.1 18,-1.5 -2,-0.4 2,-0.2 -0.855 67.0 19.3 -94.5 121.7 66.3 -40.0 77.2 101 103 A G S S- 0 0 52 -2,-0.6 2,-0.9 16,-0.2 -2,-0.1 -0.681 111.6 -14.3 120.2-173.9 68.3 -37.0 76.1 102 104 A N + 0 0 79 -2,-0.2 10,-2.8 1,-0.2 15,-0.1 -0.527 58.1 160.3 -65.7 104.2 69.2 -33.5 77.3 103 105 A N - 0 0 30 -2,-0.9 -1,-0.2 1,-0.5 2,-0.1 -0.090 60.0 -91.1-113.8 32.5 66.7 -33.0 80.2 104 106 A G - 0 0 13 6,-0.3 -1,-0.5 -16,-0.0 2,-0.3 -0.357 41.4-118.7 91.5-171.6 68.8 -30.2 81.8 105 107 A S > - 0 0 33 4,-0.3 3,-2.2 -2,-0.1 -17,-0.0 -0.954 33.9 -91.0-158.8 168.8 71.6 -30.3 84.4 106 108 A M T 3 S+ 0 0 42 1,-0.3 157,-1.7 -2,-0.3 158,-0.2 0.732 124.4 65.2 -60.1 -20.6 72.4 -29.0 87.9 107 109 A D T 3 S- 0 0 55 155,-0.2 -1,-0.3 156,-0.2 155,-0.1 0.428 113.9-122.5 -79.1 1.2 73.9 -26.1 85.9 108 110 A G < + 0 0 49 -3,-2.2 -2,-0.1 1,-0.2 154,-0.1 0.854 49.2 165.5 58.0 39.2 70.4 -25.2 84.8 109 111 A D - 0 0 75 1,-0.1 -4,-0.3 -4,-0.0 -1,-0.2 -0.715 49.7 -89.1 -82.7 139.1 70.9 -25.4 81.0 110 112 A P - 0 0 101 0, 0.0 -6,-0.3 0, 0.0 -1,-0.1 -0.125 42.3-121.3 -45.0 130.8 67.7 -25.6 79.0 111 113 A P - 0 0 43 0, 0.0 -8,-0.2 0, 0.0 3,-0.1 -0.317 41.3 -87.1 -59.3 154.8 66.4 -29.2 78.4 112 114 A A - 0 0 21 -10,-2.8 5,-0.1 1,-0.1 0, 0.0 -0.372 55.4 -95.8 -60.4 149.2 66.1 -30.2 74.8 113 115 A A >> - 0 0 38 1,-0.1 3,-2.4 -3,-0.1 4,-1.1 -0.303 41.2 -98.0 -65.9 157.4 62.7 -29.2 73.4 114 116 A M T 34 S+ 0 0 50 1,-0.3 -53,-1.4 2,-0.2 -52,-0.2 0.474 118.7 71.4 -61.8 -1.0 60.1 -31.9 73.4 115 117 A R T 34 S+ 0 0 158 -55,-0.1 -1,-0.3 -54,-0.1 -53,-0.0 0.759 105.5 37.9 -81.9 -24.1 60.8 -32.7 69.7 116 118 A Y T <4 S+ 0 0 148 -3,-2.4 -2,-0.2 -14,-0.1 -1,-0.1 0.899 104.3 71.5 -89.4 -46.5 64.1 -34.3 70.7 117 119 A T < - 0 0 0 -4,-1.1 -57,-2.0 -15,-0.1 -56,-0.4 -0.133 58.1-156.3 -77.7 163.3 63.6 -36.1 74.0 118 120 A E E -IJ 59 100C 69 -18,-1.5 -18,-3.1 -59,-0.3 2,-0.3 -0.983 14.7-177.3-139.0 155.9 61.7 -39.3 74.8 119 121 A A E +IJ 58 99C 0 -61,-3.1 -61,-2.3 -2,-0.3 2,-0.3 -0.893 17.5 176.1-148.5 165.3 60.1 -40.6 78.0 120 122 A R E - J 0 98C 45 -22,-1.6 -22,-2.8 -2,-0.3 -68,-0.2 -0.945 45.6 -80.8-162.8 163.9 58.3 -43.2 80.0 121 123 A L E - J 0 97C 1 -70,-2.4 -24,-0.3 -2,-0.3 2,-0.1 -0.382 45.8-119.1 -66.3 148.8 57.2 -43.7 83.6 122 124 A S > - 0 0 8 -26,-1.9 4,-1.0 1,-0.1 -69,-0.3 -0.423 27.6-108.0 -77.8 165.0 59.8 -44.9 86.1 123 125 A E H >> S+ 0 0 61 1,-0.2 3,-1.0 2,-0.2 4,-0.8 0.937 121.1 52.4 -59.1 -44.2 59.2 -48.2 87.9 124 126 A I H >> S+ 0 0 4 1,-0.3 3,-1.5 -29,-0.2 4,-0.7 0.894 101.1 60.5 -62.9 -36.9 58.5 -46.4 91.2 125 127 A A H >> S+ 0 0 0 -30,-0.3 4,-0.8 1,-0.3 3,-0.6 0.801 94.5 65.9 -55.4 -31.3 55.9 -44.2 89.4 126 128 A G H XX S+ 0 0 26 -3,-1.0 3,-0.7 -4,-1.0 4,-0.6 0.868 95.4 56.8 -55.5 -36.1 54.2 -47.5 88.6 127 129 A Y H << S+ 0 0 59 -3,-1.5 29,-2.1 -4,-0.8 -1,-0.2 0.738 98.7 58.5 -74.3 -21.3 53.6 -47.8 92.4 128 130 A L H << S+ 0 0 0 -4,-0.7 27,-1.8 -3,-0.6 -1,-0.3 0.753 114.0 39.3 -71.2 -23.5 51.8 -44.4 92.4 129 131 A L H X< S+ 0 0 5 -4,-0.8 3,-2.6 -3,-0.7 4,-0.2 0.438 83.2 140.6-105.3 -2.9 49.3 -45.9 89.9 130 132 A Q T 3< S+ 0 0 52 -4,-0.6 -3,-0.1 1,-0.3 -4,-0.0 -0.127 78.3 1.6 -48.5 125.9 49.1 -49.4 91.4 131 133 A D T > S+ 0 0 28 1,-0.1 3,-2.2 2,-0.1 5,-0.4 0.574 82.6 137.6 74.1 12.7 45.5 -50.7 91.3 132 134 A I G X S+ 0 0 17 -3,-2.6 3,-0.6 1,-0.3 5,-0.2 0.720 71.0 58.6 -59.0 -20.1 44.1 -47.6 89.5 133 135 A E G 3 S+ 0 0 127 -4,-0.2 -1,-0.3 1,-0.2 -3,-0.1 0.446 90.1 73.9 -87.1 -1.6 42.1 -50.0 87.3 134 136 A K G < S- 0 0 54 -3,-2.2 227,-0.2 228,-0.0 -1,-0.2 0.131 112.7-104.7-104.4 20.5 40.4 -51.5 90.3 135 137 A K S < S+ 0 0 103 -3,-0.6 226,-0.1 1,-0.1 -3,-0.1 0.936 76.9 138.9 57.5 49.2 38.0 -48.6 91.1 136 138 A T + 0 0 6 -5,-0.4 222,-0.2 -4,-0.2 221,-0.2 0.560 58.2 42.1 -98.0 -15.1 40.2 -47.6 94.1 137 139 A V S S- 0 0 11 -5,-0.2 2,-0.3 220,-0.1 -1,-0.1 -0.947 90.3 -96.2-138.8 151.2 40.1 -43.9 93.6 138 140 A P - 0 0 73 0, 0.0 13,-2.6 0, 0.0 14,-0.5 -0.531 39.2-156.5 -72.6 130.2 37.4 -41.3 92.8 139 141 A F E -K 150 0D 78 -2,-0.3 2,-0.3 11,-0.2 9,-0.1 -0.816 9.0-170.3-111.1 146.8 37.1 -40.2 89.1 140 142 A A E -K 149 0D 42 9,-2.7 9,-2.9 -2,-0.3 2,-0.2 -0.830 33.5 -90.0-125.3 168.1 35.8 -37.1 87.5 141 143 A W E -K 148 0D 149 -2,-0.3 7,-0.2 7,-0.2 2,-0.0 -0.534 45.5-116.2 -74.9 143.2 35.0 -35.9 83.9 142 144 A N > - 0 0 3 5,-2.8 3,-2.4 -2,-0.2 -71,-0.1 -0.247 39.3 -88.9 -69.7 166.2 37.8 -34.2 82.1 143 145 A F T 3 S+ 0 0 70 -72,-0.5 -1,-0.1 1,-0.3 -72,-0.1 0.742 130.5 53.7 -38.2 -26.9 37.5 -30.6 81.0 144 146 A D T 3 S- 0 0 64 -74,-0.3 -1,-0.3 3,-0.2 833,-0.1 0.526 99.7-131.3 -98.6 -10.3 36.0 -32.0 77.8 145 147 A D S < S+ 0 0 124 -3,-2.4 -2,-0.1 2,-0.2 3,-0.1 0.684 86.8 99.9 56.0 20.8 33.2 -34.2 79.3 146 148 A T S S+ 0 0 75 1,-0.2 2,-0.3 -76,-0.2 -1,-0.1 0.716 82.1 21.2 -98.6 -30.4 34.6 -36.9 77.0 147 149 A E - 0 0 47 -77,-0.2 -5,-2.8 -5,-0.0 2,-0.3 -0.987 69.9-116.6-147.3 149.3 36.7 -39.0 79.4 148 150 A K E -K 141 0D 46 -2,-0.3 -7,-0.2 -7,-0.2 -9,-0.0 -0.639 28.5-174.5 -85.7 141.1 37.1 -39.8 83.1 149 151 A E E -K 140 0D 16 -9,-2.9 -9,-2.7 -2,-0.3 2,-0.2 -0.955 30.3-103.5-128.2 155.5 40.3 -38.9 85.0 150 152 A P E -K 139 0D 6 0, 0.0 -11,-0.2 0, 0.0 3,-0.1 -0.566 15.3-154.1 -77.6 142.3 41.4 -39.7 88.6 151 153 A T S S+ 0 0 61 -13,-2.6 2,-0.3 1,-0.3 -12,-0.1 0.644 84.7 6.8 -84.5 -20.2 41.2 -36.9 91.2 152 154 A V S S- 0 0 0 -14,-0.5 -1,-0.3 -112,-0.1 0, 0.0 -0.964 80.9-117.2-153.9 148.8 43.9 -38.6 93.3 153 155 A L - 0 0 0 -2,-0.3 -24,-0.2 -3,-0.1 -118,-0.1 -0.531 27.9-112.2 -88.0 157.5 46.3 -41.6 92.7 154 156 A P - 0 0 1 0, 0.0 -25,-0.2 0, 0.0 -26,-0.1 0.741 43.4-159.2 -56.0 -26.4 46.4 -44.8 94.8 155 157 A A - 0 0 0 -27,-1.8 -27,-0.2 1,-0.1 -26,-0.1 0.905 16.6-171.6 44.6 71.6 49.8 -43.8 96.0 156 158 A A S S+ 0 0 4 -29,-2.1 312,-0.2 2,-0.1 -28,-0.2 0.438 78.8 42.4 -72.4 -0.1 51.4 -47.1 97.2 157 159 A F S S- 0 0 0 -30,-0.1 2,-1.9 311,-0.1 308,-0.0 -0.971 100.3-104.6-138.4 153.1 54.2 -45.0 98.6 158 160 A P >> + 0 0 14 0, 0.0 4,-1.9 0, 0.0 3,-0.9 -0.453 44.9 171.6 -74.7 72.1 53.9 -41.6 100.5 159 161 A N H 3>> + 0 0 3 -2,-1.9 4,-2.4 1,-0.2 5,-1.0 0.723 62.4 72.1 -59.8 -27.6 55.0 -39.3 97.7 160 162 A L H 3>5S+ 0 0 6 -128,-0.3 4,-0.7 1,-0.2 -1,-0.2 0.915 113.7 25.4 -57.5 -45.6 54.2 -36.0 99.4 161 163 A L H <45S+ 0 0 9 -3,-0.9 18,-0.8 2,-0.1 -1,-0.2 0.809 120.7 57.8 -88.3 -34.8 57.1 -36.3 101.8 162 164 A V H <5S+ 0 0 0 -4,-1.9 17,-1.0 16,-0.3 -69,-0.2 0.969 125.9 14.8 -62.5 -54.7 59.3 -38.5 99.7 163 165 A N H <5S- 0 0 5 -4,-2.4 -70,-0.3 15,-0.2 -3,-0.2 0.755 97.0-151.3 -93.3 -27.4 59.5 -36.1 96.6 164 166 A G << - 0 0 9 -5,-1.0 2,-0.3 -4,-0.7 -1,-0.2 -0.432 4.2-123.4 89.2-164.9 58.2 -32.9 98.1 165 167 A S E -L 176 0E 8 11,-1.8 11,-2.4 -2,-0.1 2,-0.3 -0.890 8.7-144.3 179.3 147.3 56.5 -30.0 96.4 166 168 A T E -L 175 0E 42 -2,-0.3 9,-0.2 9,-0.2 2,-0.1 -0.825 23.0-168.3-167.1 129.4 56.8 -26.2 95.8 167 169 A G E +L 174 0E 4 7,-0.6 7,-2.6 -2,-0.3 2,-0.3 -0.835 30.6 165.0 142.3 55.8 54.5 -24.2 95.7 168 170 A I E +L 173 0E 137 5,-0.3 5,-0.3 -141,-0.2 -141,-0.1 -0.801 29.1 136.2-138.6 110.3 53.1 -20.7 94.9 169 171 A S - 0 0 24 3,-2.6 2,-0.5 -2,-0.3 -146,-0.1 0.129 59.9 -56.1-113.5-133.8 49.4 -19.9 94.6 170 172 A A S S- 0 0 11 -151,-0.3 -1,-0.0 1,-0.1 3,-0.0 -0.985 118.0 -7.4-115.2 127.1 47.1 -17.0 95.8 171 173 A G S S+ 0 0 10 -2,-0.5 2,-0.3 861,-0.0 -1,-0.1 0.378 133.1 60.7 70.0 -8.4 47.0 -16.3 99.5 172 174 A Y - 0 0 51 2,-0.0 -3,-2.6 156,-0.0 2,-0.3 -0.996 54.7-178.1-150.5 146.4 49.2 -19.5 100.0 173 175 A A E -L 168 0E 34 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.3 -0.809 16.8-146.0-126.3 170.3 52.5 -20.9 99.0 174 176 A T E +L 167 0E 0 -7,-2.6 -7,-0.6 -2,-0.3 2,-0.3 -0.983 19.1 172.7-144.2 137.7 54.1 -24.3 99.8 175 177 A D E +LM 166 326E 43 151,-1.1 151,-3.0 -2,-0.3 -9,-0.2 -0.888 11.7 161.2-141.1 110.5 57.5 -25.7 100.4 176 178 A I E -L 165 0E 3 -11,-2.4 -11,-1.8 -2,-0.3 149,-0.1 -0.994 28.2-142.2-126.5 120.0 57.9 -29.3 101.5 177 179 A P - 0 0 0 0, 0.0 -13,-0.3 0, 0.0 2,-0.1 -0.382 23.7 -95.6 -85.4 170.6 61.3 -30.9 101.1 178 180 A P - 0 0 0 0, 0.0 32,-2.7 0, 0.0 2,-0.3 -0.398 37.2-163.3 -78.7 154.7 62.0 -34.5 100.1 179 181 A H - 0 0 0 -17,-1.0 2,-0.2 -18,-0.8 -86,-0.0 -0.907 30.9 -84.6-135.6 163.2 62.7 -37.3 102.5 180 182 A N > - 0 0 5 28,-0.4 4,-2.8 -2,-0.3 5,-0.2 -0.502 33.6-137.3 -68.6 130.5 64.1 -40.8 102.4 181 183 A L H > S+ 0 0 1 -2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.917 101.9 47.9 -59.1 -50.8 61.6 -43.5 101.3 182 184 A A H > S+ 0 0 16 292,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.930 113.7 49.4 -58.9 -43.8 62.6 -46.1 103.9 183 185 A E H > S+ 0 0 26 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.948 110.7 47.3 -61.1 -51.3 62.5 -43.5 106.6 184 186 A V H X S+ 0 0 5 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.857 113.7 49.8 -59.6 -34.9 59.1 -42.1 105.7 185 187 A I H X S+ 0 0 0 -4,-2.2 4,-2.8 -5,-0.2 -1,-0.2 0.867 105.8 55.1 -73.9 -37.3 57.7 -45.6 105.5 186 188 A D H X S+ 0 0 53 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.943 110.3 47.8 -57.6 -45.5 59.1 -46.6 108.9 187 189 A A H X S+ 0 0 7 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.915 111.4 49.2 -60.2 -45.7 57.2 -43.6 110.3 188 190 A A H X S+ 0 0 12 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.910 110.9 50.5 -63.9 -41.2 54.0 -44.5 108.6 189 191 A V H X S+ 0 0 14 -4,-2.8 4,-1.3 2,-0.2 -1,-0.2 0.894 110.2 49.0 -64.8 -38.8 54.3 -48.1 109.8 190 192 A Y H >X S+ 0 0 50 -4,-2.2 4,-2.9 1,-0.2 3,-0.6 0.960 111.8 49.4 -64.5 -47.0 54.8 -47.0 113.4 191 193 A M H 3< S+ 0 0 12 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.780 103.2 59.7 -63.0 -29.0 51.9 -44.7 113.2 192 194 A I H 3< S+ 0 0 24 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.902 116.0 35.2 -64.3 -36.6 49.6 -47.4 111.8 193 195 A D H << S+ 0 0 91 -4,-1.3 -2,-0.2 -3,-0.6 -1,-0.2 0.818 131.3 32.5 -84.2 -35.0 50.3 -49.4 115.0 194 196 A H >< + 0 0 87 -4,-2.9 3,-1.6 -5,-0.2 -1,-0.3 -0.707 69.4 175.6-126.6 78.3 50.5 -46.4 117.2 195 197 A P T 3 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.780 78.7 55.0 -58.0 -34.8 47.9 -43.8 115.8 196 198 A T T 3 S+ 0 0 138 2,-0.0 -5,-0.1 0, 0.0 -2,-0.0 0.134 81.0 151.8 -86.9 21.8 48.4 -41.3 118.6 197 199 A A < - 0 0 17 -3,-1.6 2,-0.2 -6,-0.2 -6,-0.0 -0.180 39.5-131.3 -62.1 144.9 52.2 -41.2 118.2 198 200 A K >> - 0 0 62 1,-0.1 4,-2.2 4,-0.0 3,-0.8 -0.639 19.9-113.4 -95.1 153.2 54.0 -38.0 119.1 199 201 A I H 3> S+ 0 0 28 1,-0.2 4,-3.0 -2,-0.2 5,-0.2 0.895 113.1 60.5 -49.7 -50.6 56.6 -36.2 116.9 200 202 A D H 34 S+ 0 0 125 1,-0.2 -1,-0.2 2,-0.2 4,-0.1 0.867 111.3 41.4 -45.3 -43.4 59.5 -36.9 119.2 201 203 A K H X4 S+ 0 0 73 -3,-0.8 3,-1.8 1,-0.2 4,-0.4 0.899 111.1 54.8 -76.0 -42.9 58.9 -40.6 118.7 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0.0 0.0 340 342 A I > 0 0 13 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -32.1 52.1 -33.5 110.2 341 343 A V H > + 0 0 77 -113,-0.2 4,-1.7 1,-0.2 5,-0.2 0.952 360.0 39.7 -72.1 -53.7 49.1 -35.0 112.1 342 344 A P H > S+ 0 0 30 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.842 115.8 56.3 -59.6 -35.2 46.2 -34.1 109.8 343 345 A I H > S+ 0 0 5 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.979 112.0 38.9 -58.5 -59.8 48.4 -34.9 106.8 344 346 A L H X S+ 0 0 28 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.805 117.0 51.9 -59.8 -31.7 49.2 -38.5 107.8 345 347 A S H X S+ 0 0 57 -4,-1.7 4,-2.4 -5,-0.2 -1,-0.2 0.918 108.6 48.5 -80.4 -39.1 45.7 -39.1 109.1 346 348 A S H X S+ 0 0 21 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.922 112.4 51.0 -59.3 -44.3 44.0 -37.9 105.9 347 349 A Y H X S+ 0 0 12 -4,-2.3 4,-2.8 -5,-0.2 -2,-0.2 0.931 110.1 48.9 -59.1 -45.9 46.4 -40.2 104.0 348 350 A I H X S+ 0 0 29 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.877 112.4 47.4 -63.1 -38.8 45.5 -43.1 106.3 349 351 A A H X S+ 0 0 53 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.876 111.6 52.7 -71.0 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108.3 51.2 -72.4 -35.8 38.4 -55.2 97.8 360 362 A R H X S+ 0 0 114 -4,-2.1 4,-2.9 -5,-0.2 -1,-0.2 0.940 111.4 51.3 -60.9 -44.1 34.7 -54.7 97.1 361 363 A F H X S+ 0 0 64 -4,-2.5 4,-2.3 -227,-0.2 -2,-0.2 0.946 112.2 42.5 -60.6 -52.5 35.6 -54.5 93.4 362 364 A D H X S+ 0 0 35 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.840 114.7 52.1 -63.0 -32.3 37.6 -57.7 93.4 363 365 A K H X S+ 0 0 58 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.917 106.8 52.6 -72.6 -43.7 35.0 -59.5 95.5 364 366 A E H X S+ 0 0 118 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.953 111.7 46.8 -50.4 -53.7 32.3 -58.4 93.1 365 367 A K H X S+ 0 0 132 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.924 112.0 50.3 -54.0 -49.0 34.3 -59.9 90.2 366 368 A A H X S+ 0 0 5 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.853 111.7 47.9 -62.6 -37.1 35.0 -63.1 92.2 367 369 A E H X S+ 0 0 97 -4,-2.7 4,-3.4 2,-0.2 5,-0.2 0.939 107.4 53.5 -68.4 -49.2 31.3 -63.6 93.0 368 370 A K H X S+ 0 0 88 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.916 115.4 43.8 -51.7 -42.9 30.0 -63.0 89.4 369 371 A R H X S+ 0 0 94 -4,-2.0 4,-2.8 -5,-0.2 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3,-1.6 1,-0.3 7,-0.2 0.838 99.5 59.6 -47.1 -38.5 24.6 -77.7 83.5 380 382 A I H >< S+ 0 0 61 -4,-1.9 3,-0.7 1,-0.3 -1,-0.3 0.791 99.6 56.1 -67.8 -25.5 27.0 -80.7 83.1 381 383 A S H << S+ 0 0 85 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.609 122.6 27.6 -76.5 -14.9 24.7 -82.8 85.2 382 384 A I T S+ 0 0 45 -3,-0.7 4,-3.0 1,-0.2 3,-0.3 0.904 78.5 50.0 -47.5 -57.5 24.5 -81.2 78.7 384 386 A D H > S+ 0 0 128 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.862 115.1 39.9 -53.9 -43.1 22.5 -83.5 76.5 385 387 A E H > S+ 0 0 88 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.720 113.1 55.6 -81.2 -23.6 19.2 -81.9 77.5 386 388 A V H X S+ 0 0 5 -4,-0.5 4,-2.1 -3,-0.3 -2,-0.2 0.872 110.0 45.4 -72.0 -39.5 20.6 -78.4 77.5 387 389 A I H X S+ 0 0 65 -4,-3.0 4,-2.9 2,-0.2 -2,-0.2 0.911 112.7 52.3 -66.9 -41.1 21.8 -78.8 73.9 388 390 A A H X S+ 0 0 55 -4,-1.7 4,-1.5 -5,-0.3 -2,-0.2 0.894 109.0 50.5 -55.8 -43.8 18.4 -80.2 73.1 389 391 A L H X S+ 0 0 24 -4,-1.6 4,-0.8 2,-0.2 -2,-0.2 0.909 112.4 44.6 -65.4 -43.6 16.7 -77.2 74.7 390 392 A I H >< S+ 0 0 63 -4,-2.1 3,-0.5 1,-0.2 -2,-0.2 0.884 110.0 56.6 -69.4 -36.6 18.8 -74.7 72.7 391 393 A R H 3< S+ 0 0 212 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.845 112.0 43.6 -55.1 -34.7 18.1 -76.9 69.7 392 394 A A H 3< S+ 0 0 84 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.543 93.0 102.5 -91.7 -10.7 14.4 -76.3 70.4 393 395 A S S << S- 0 0 19 -4,-0.8 3,-0.1 -3,-0.5 6,-0.1 -0.371 70.7-135.8 -74.6 157.3 14.7 -72.6 71.2 394 396 A E S S- 0 0 79 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.748 74.5 -32.9 -86.3 -26.2 13.6 -70.1 68.5 395 397 A N S > S- 0 0 99 1,-0.1 4,-2.4 -5,-0.0 -1,-0.2 -0.951 82.3 -63.0-175.1-175.4 16.6 -67.8 69.0 396 398 A K H > S+ 0 0 109 -2,-0.3 4,-2.1 1,-0.2 3,-0.4 0.954 129.0 45.1 -52.5 -59.9 19.0 -66.4 71.5 397 399 A A H > S+ 0 0 68 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.861 114.6 48.7 -55.6 -40.3 16.5 -64.7 73.7 398 400 A D H > S+ 0 0 54 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.858 108.6 55.1 -67.5 -34.0 14.1 -67.7 73.6 399 401 A A H X S+ 0 0 4 -4,-2.4 4,-1.6 -3,-0.4 -2,-0.2 0.924 108.7 46.6 -63.8 -47.1 16.9 -70.0 74.5 400 402 A K H >X S+ 0 0 27 -4,-2.1 4,-2.3 2,-0.2 3,-0.6 0.961 111.7 51.5 -58.1 -53.5 17.9 -68.1 77.6 401 403 A E H 3X S+ 0 0 91 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.930 109.9 49.9 -48.4 -50.4 14.2 -67.9 78.7 402 404 A N H 3X S+ 0 0 52 -4,-2.5 4,-2.2 1,-0.2 5,-0.3 0.798 108.7 52.5 -62.3 -30.0 13.9 -71.7 78.3 403 405 A L H - 0 0 45 1,-0.1 4,-3.0 -6,-0.0 3,-0.3 -0.417 27.1 -98.8 -77.5 165.2 19.7 -67.0 86.1 411 413 A E H > S+ 0 0 71 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.945 123.6 51.4 -42.1 -61.5 20.0 -64.5 83.3 412 414 A E H > S+ 0 0 110 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.826 114.5 43.3 -53.9 -35.3 23.7 -64.1 83.8 413 415 A Q H > S+ 0 0 13 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.873 112.4 52.8 -76.6 -40.4 24.3 -67.9 83.7 414 416 A A H X S+ 0 0 0 -4,-3.0 4,-2.4 2,-0.2 5,-0.2 0.927 108.7 50.7 -58.9 -47.4 21.9 -68.3 80.7 415 417 A E H X S+ 0 0 59 -4,-3.1 4,-1.3 1,-0.2 -1,-0.2 0.927 112.6 46.4 -56.5 -48.2 23.9 -65.6 78.9 416 418 A A H < S+ 0 0 22 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.906 113.9 47.4 -61.4 -42.2 27.1 -67.4 79.6 417 419 A I H >< S+ 0 0 13 -4,-2.6 3,-0.9 1,-0.2 -1,-0.2 0.892 113.5 46.8 -68.2 -39.7 25.8 -70.8 78.7 418 420 A V H 3< S+ 0 0 31 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.667 108.9 54.2 -82.7 -19.6 24.3 -69.7 75.4 419 421 A T T 3< S+ 0 0 76 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.248 81.1 120.4 -99.3 12.7 27.3 -67.7 74.3 420 422 A L < - 0 0 83 -3,-0.9 2,-0.2 -4,-0.1 -3,-0.0 -0.461 69.7-112.8 -69.2 145.5 29.7 -70.7 74.7 421 423 A Q > - 0 0 124 -2,-0.1 3,-1.9 1,-0.1 4,-0.4 -0.567 25.9-113.2 -78.5 147.4 31.5 -71.8 71.6 422 424 A L G > S+ 0 0 149 1,-0.3 3,-1.5 -2,-0.2 -1,-0.1 0.760 111.9 66.6 -49.7 -30.5 30.5 -75.2 70.2 423 425 A Y G > S+ 0 0 120 1,-0.3 3,-2.1 2,-0.2 -1,-0.3 0.801 83.8 73.1 -72.8 -22.0 34.0 -76.7 71.0 424 426 A R G X S+ 0 0 132 -3,-1.9 3,-2.1 1,-0.3 -1,-0.3 0.789 79.5 75.6 -56.3 -29.4 33.3 -76.3 74.7 425 427 A L G < S+ 0 0 72 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.573 80.9 71.2 -63.3 -5.0 31.0 -79.3 74.4 426 428 A T G < 0 0 128 -3,-2.1 -1,-0.3 -4,-0.1 -2,-0.2 0.716 360.0 360.0 -81.5 -21.6 34.0 -81.5 74.2 427 429 A N < 0 0 111 -3,-2.1 -3,-0.0 -4,-0.3 0, 0.0 -0.562 360.0 360.0 -84.8 360.0 34.8 -80.9 77.8 428 ! 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 0.0 429 431 A D > 0 0 96 0, 0.0 4,-0.7 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 103.0 35.2 -82.6 83.8 430 432 A V H > + 0 0 44 1,-0.2 4,-2.6 2,-0.1 5,-0.2 0.774 360.0 72.4 -78.4 -24.8 33.5 -81.1 86.8 431 433 A V H > S+ 0 0 85 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.892 92.6 51.0 -59.0 -47.9 36.7 -81.4 88.9 432 434 A V H > S+ 0 0 76 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.935 113.0 48.2 -56.6 -45.8 38.6 -78.6 87.2 433 435 A L H X S+ 0 0 22 -4,-0.7 4,-2.5 2,-0.2 -2,-0.2 0.909 109.0 52.9 -59.9 -45.3 35.5 -76.3 87.8 434 436 A Q H X S+ 0 0 91 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.892 104.8 54.9 -62.3 -38.9 35.3 -77.4 91.5 435 437 A E H X S+ 0 0 82 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.943 111.1 46.4 -54.9 -45.6 38.9 -76.5 92.0 436 438 A E H X S+ 0 0 66 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.906 108.9 54.0 -64.3 -42.6 38.0 -73.0 90.7 437 439 A E H X S+ 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