==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 29-DEC-11 3VAS . COMPND 2 MOLECULE: PUTATIVE ADENOSINE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SCHISTOSOMA MANSONI; . AUTHOR L.ROMANELLO,F.R.BACHEGA,R.C.GARATT,R.DEMARCO,J.BRANDAO-NETO, . 688 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28584.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 508 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 88 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 53 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 209 30.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.5 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 2 3 1 2 2 2 2 2 3 1 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 5 1 6 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 . 0 0 2 0 5 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 . 1 0 0 2 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 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 D 0 0 209 0, 0.0 2,-0.3 0, 0.0 311,-0.0 0.000 360.0 360.0 360.0 106.4 -6.1 -37.2 2.3 2 4 A L - 0 0 19 1,-0.1 3,-0.1 73,-0.1 4,-0.1 -0.581 360.0-115.2 -87.4 138.3 -6.2 -33.4 2.1 3 5 A S > - 0 0 76 -2,-0.3 3,-1.2 1,-0.1 4,-0.2 -0.186 44.4 -87.2 -58.8 154.4 -7.8 -31.4 -0.6 4 6 A E T 3 S+ 0 0 96 1,-0.3 76,-0.3 2,-0.1 -1,-0.1 -0.409 115.1 17.1 -65.6 143.7 -5.7 -29.2 -2.9 5 7 A G T 3 S+ 0 0 3 74,-2.6 -1,-0.3 2,-0.1 76,-0.2 0.781 80.9 141.7 61.6 27.4 -5.0 -25.7 -1.5 6 8 A Y < + 0 0 58 -3,-1.2 154,-2.7 74,-0.6 155,-2.1 0.839 65.2 48.8 -63.8 -34.3 -6.1 -27.0 1.9 7 9 A V E S-ab 81 161A 0 73,-2.3 75,-2.8 152,-0.2 2,-0.4 -0.936 71.5-171.5-114.9 127.9 -3.3 -24.8 3.5 8 10 A F E +ab 82 162A 0 153,-2.7 155,-2.0 -2,-0.5 2,-0.3 -0.965 4.5 179.1-121.7 133.9 -2.7 -21.2 2.6 9 11 A G E -ab 83 163A 0 73,-2.7 75,-1.9 -2,-0.4 2,-0.4 -0.964 8.0-172.0-126.1 148.5 0.1 -18.9 3.6 10 12 A M E +a 84 0A 1 153,-0.7 155,-0.3 -2,-0.3 2,-0.3 -0.994 32.1 112.5-131.1 142.3 0.9 -15.2 2.8 11 13 A G E -a 85 0A 0 73,-2.3 75,-0.6 -2,-0.4 131,-0.0 -0.901 63.4 -48.6-171.6-159.5 4.2 -13.6 3.7 12 14 A N - 0 0 8 -2,-0.3 2,-0.6 73,-0.2 53,-0.2 -0.877 42.4-152.6-104.1 105.2 7.5 -12.0 2.9 13 15 A P + 0 0 0 0, 0.0 106,-0.5 0, 0.0 2,-0.3 -0.694 28.7 173.7 -81.0 121.1 9.5 -14.0 0.4 14 16 A L E -I 61 0B 13 47,-0.7 47,-3.6 -2,-0.6 2,-0.6 -0.905 35.0-123.5-130.9 152.3 13.1 -13.2 1.0 15 17 A L E -Ij 60 120B 6 104,-2.0 106,-3.0 -2,-0.3 2,-0.4 -0.859 27.0-142.3 -93.7 123.4 16.6 -14.3 -0.1 16 18 A D E -Ij 59 121B 6 43,-2.9 43,-1.9 -2,-0.6 2,-0.6 -0.721 9.8-163.3 -82.2 131.1 18.8 -15.4 2.7 17 19 A I E -Ij 58 122B 8 104,-3.1 106,-2.5 -2,-0.4 2,-0.5 -0.887 11.8-163.8-116.1 99.2 22.5 -14.4 2.4 18 20 A I E +Ij 57 123B 16 39,-2.8 39,-2.3 -2,-0.6 2,-0.4 -0.731 14.8 169.5 -95.2 122.0 24.4 -16.6 4.8 19 21 A V E - j 0 124B 3 104,-2.4 106,-3.3 -2,-0.5 2,-1.0 -0.967 42.6-118.7-134.2 141.1 27.9 -15.5 5.7 20 22 A D E - j 0 125B 107 -2,-0.4 2,-0.2 34,-0.3 106,-0.2 -0.738 48.0-151.5 -72.9 104.9 30.6 -16.5 8.2 21 23 A A - 0 0 14 104,-2.2 2,-0.1 -2,-1.0 29,-0.0 -0.558 8.4-122.6 -89.8 145.1 30.8 -13.1 10.0 22 24 A D > - 0 0 60 -2,-0.2 3,-1.0 1,-0.1 4,-0.5 -0.454 30.3-111.5 -76.2 157.4 33.8 -11.5 11.7 23 25 A D T >> S+ 0 0 83 1,-0.3 4,-0.8 2,-0.2 3,-0.7 0.781 112.8 63.6 -64.7 -28.8 33.4 -10.6 15.4 24 26 A F H 3> S+ 0 0 81 1,-0.2 4,-3.4 2,-0.2 3,-0.4 0.818 88.8 71.3 -65.0 -29.5 33.6 -6.8 14.7 25 27 A M H <> S+ 0 0 6 -3,-1.0 4,-2.1 1,-0.2 -1,-0.2 0.831 94.6 51.9 -56.6 -38.0 30.4 -7.0 12.6 26 28 A Y H <4>S+ 0 0 9 -3,-0.7 5,-2.5 -4,-0.5 -1,-0.2 0.852 115.8 40.1 -71.8 -34.9 28.2 -7.5 15.6 27 29 A R H ><5S+ 0 0 186 -4,-0.8 3,-1.1 -3,-0.4 -2,-0.2 0.923 113.4 54.9 -74.8 -47.4 29.6 -4.5 17.4 28 30 A K H 3<5S+ 0 0 117 -4,-3.4 -2,-0.2 1,-0.3 -3,-0.2 0.870 121.2 29.2 -52.7 -43.3 29.7 -2.4 14.3 29 31 A Y T 3<5S- 0 0 8 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.286 106.8-120.8-104.6 10.0 26.0 -2.9 13.6 30 32 A N T < 5 + 0 0 123 -3,-1.1 2,-0.2 1,-0.2 -3,-0.2 0.910 52.0 170.7 50.7 50.8 24.9 -3.4 17.2 31 33 A L < - 0 0 13 -5,-2.5 2,-0.3 -6,-0.2 -1,-0.2 -0.647 19.9-146.4 -97.0 151.3 23.5 -6.9 16.5 32 34 A K > - 0 0 131 -2,-0.2 3,-1.4 100,-0.1 100,-0.2 -0.787 28.1 -82.7-119.6 157.0 22.4 -9.3 19.2 33 35 A K T 3 S- 0 0 96 -2,-0.3 98,-0.2 1,-0.3 3,-0.1 -0.253 107.0 -7.4 -56.2 135.2 22.4 -13.1 19.6 34 36 A D T 3 S+ 0 0 80 96,-1.9 -1,-0.3 1,-0.2 2,-0.2 0.734 108.5 127.9 52.0 28.4 19.6 -15.1 17.9 35 37 A N E < -k 131 0B 23 -3,-1.4 97,-2.3 95,-0.7 2,-0.4 -0.645 47.9-150.8-113.5 166.9 17.9 -11.8 17.0 36 38 A I E -k 132 0B 9 -2,-0.2 2,-0.3 95,-0.2 162,-0.3 -0.999 12.1-176.3-135.9 135.6 16.5 -10.1 13.8 37 39 A V E -k 133 0B 38 95,-2.1 97,-2.8 -2,-0.4 2,-0.5 -0.962 29.4-118.1-126.1 149.8 16.3 -6.4 13.1 38 40 A L E -k 134 0B 51 -2,-0.3 97,-0.2 95,-0.2 5,-0.1 -0.769 47.6 -99.6 -83.1 127.0 14.8 -4.6 10.1 39 41 A A - 0 0 20 95,-2.8 2,-0.2 -2,-0.5 97,-0.1 -0.169 41.7-173.3 -50.1 127.4 17.5 -2.6 8.3 40 42 A E >> - 0 0 110 95,-0.0 3,-1.6 -3,-0.0 4,-0.7 -0.582 47.4 -86.5-106.6-179.5 17.7 1.1 9.1 41 43 A E G >4 S+ 0 0 160 1,-0.3 3,-1.0 -2,-0.2 4,-0.3 0.871 128.6 57.5 -60.9 -36.6 20.0 3.5 7.3 42 44 A K G 34 S+ 0 0 135 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.687 106.7 51.2 -65.2 -18.2 22.9 2.7 9.7 43 45 A H G X4 S+ 0 0 9 -3,-1.6 3,-2.2 1,-0.1 4,-0.3 0.645 82.6 93.0 -90.1 -17.2 22.6 -1.0 8.7 44 46 A M T XX S+ 0 0 52 -3,-1.0 3,-1.0 -4,-0.7 4,-0.5 0.724 74.2 62.6 -59.8 -29.2 22.6 -0.5 4.9 45 47 A T H 3> S+ 0 0 80 -4,-0.3 4,-2.4 1,-0.2 -1,-0.3 0.693 84.3 81.1 -68.7 -16.7 26.4 -1.0 4.3 46 48 A I H <> S+ 0 0 0 -3,-2.2 4,-2.9 1,-0.2 5,-0.2 0.841 87.0 55.0 -59.8 -34.5 26.2 -4.5 5.6 47 49 A Y H <> S+ 0 0 11 -3,-1.0 4,-0.8 -4,-0.3 -1,-0.2 0.905 112.5 40.4 -70.5 -41.7 24.9 -5.9 2.3 48 50 A D H < S+ 0 0 122 -4,-0.5 -1,-0.2 -3,-0.2 4,-0.2 0.864 116.2 55.1 -68.2 -35.6 27.8 -4.5 0.3 49 51 A E H >< S+ 0 0 44 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.934 108.0 43.2 -66.9 -49.9 30.1 -5.5 3.2 50 52 A I H >< S+ 0 0 5 -4,-2.9 3,-1.3 1,-0.3 -1,-0.2 0.703 101.7 71.5 -70.8 -17.0 29.2 -9.2 3.4 51 53 A Q T 3< S+ 0 0 88 -4,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.580 90.5 60.4 -74.0 -8.4 29.3 -9.3 -0.4 52 54 A K T < S+ 0 0 172 -3,-1.5 -1,-0.3 -4,-0.2 2,-0.2 0.512 89.2 94.1 -92.3 -8.3 33.1 -9.0 -0.1 53 55 A K S < S- 0 0 78 -3,-1.3 3,-0.3 -4,-0.2 2,-0.1 -0.600 71.7-134.8 -84.5 143.8 33.2 -12.2 1.9 54 56 A K S S+ 0 0 124 -2,-0.2 -34,-0.3 1,-0.2 -1,-0.1 -0.286 82.1 46.4 -81.3 177.6 33.8 -15.6 0.2 55 57 A K S S+ 0 0 170 1,-0.2 2,-0.2 -36,-0.1 -1,-0.2 0.743 73.8 171.9 61.6 26.8 31.8 -18.7 0.9 56 58 A L - 0 0 22 -3,-0.3 2,-0.6 379,-0.2 -1,-0.2 -0.479 21.4-150.9 -68.6 135.1 28.5 -16.9 0.7 57 59 A N E -I 18 0B 51 -39,-2.3 -39,-2.8 -2,-0.2 2,-0.5 -0.941 7.6-164.3-110.5 116.2 25.4 -19.2 0.8 58 60 A Y E +I 17 0B 19 -2,-0.6 2,-0.3 -41,-0.2 -41,-0.2 -0.868 22.2 155.5 -99.3 126.8 22.4 -17.9 -1.1 59 61 A I E -I 16 0B 13 -43,-1.9 -43,-2.9 -2,-0.5 277,-0.1 -0.989 47.1 -95.0-154.6 140.6 19.1 -19.7 -0.3 60 62 A A E +I 15 0B 0 -2,-0.3 276,-0.3 -45,-0.2 -45,-0.2 -0.285 52.8 165.7 -56.2 135.1 15.4 -18.9 -0.4 61 63 A G E +I 14 0B 0 -47,-3.6 -47,-0.7 274,-0.1 -1,-0.1 -0.426 20.7 132.9-132.4-153.4 14.0 -17.6 2.9 62 64 A G > - 0 0 6 -49,-0.2 4,-3.0 -2,-0.1 5,-0.2 0.445 52.7-119.8 97.8 118.4 11.1 -15.9 4.5 63 65 A A H > S+ 0 0 15 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.900 110.3 41.1 -58.1 -50.9 9.5 -17.2 7.7 64 66 A T H > S+ 0 0 3 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.911 116.4 50.4 -65.1 -42.6 6.0 -17.9 6.4 65 67 A L H > S+ 0 0 0 -53,-0.2 4,-2.5 1,-0.2 5,-0.3 0.901 107.4 54.0 -63.8 -42.4 7.3 -19.4 3.1 66 68 A N H X S+ 0 0 5 -4,-3.0 4,-1.5 1,-0.2 -1,-0.2 0.939 113.4 43.0 -53.3 -50.4 9.7 -21.7 5.0 67 69 A T H X S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.933 115.7 46.3 -64.5 -49.6 6.9 -23.1 7.1 68 70 A V H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.894 112.5 48.7 -66.2 -40.6 4.3 -23.5 4.3 69 71 A K H X S+ 0 0 3 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.828 111.5 50.5 -72.3 -27.7 6.7 -25.1 1.8 70 72 A M H X S+ 0 0 0 -4,-1.5 4,-3.3 -5,-0.3 5,-0.2 0.870 106.4 54.4 -75.5 -35.3 7.9 -27.6 4.4 71 73 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.937 111.8 46.6 -56.0 -44.6 4.2 -28.5 5.2 72 74 A Q H X S+ 0 0 3 -4,-2.0 4,-2.0 2,-0.2 5,-0.3 0.899 112.8 48.6 -62.3 -43.6 3.9 -29.2 1.5 73 75 A W H < S+ 0 0 19 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.908 113.3 47.2 -65.1 -44.4 7.2 -31.2 1.5 74 76 A I H < S+ 0 0 8 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.958 113.7 45.4 -61.0 -52.3 6.1 -33.2 4.5 75 77 A I H < S- 0 0 22 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.808 89.9-159.8 -69.2 -30.5 2.6 -34.0 3.3 76 78 A Q < + 0 0 115 -4,-2.0 -3,-0.1 -5,-0.2 -1,-0.1 0.620 46.2 124.2 66.7 14.1 4.1 -34.9 -0.1 77 79 A K > - 0 0 79 -5,-0.3 3,-1.4 27,-0.0 -1,-0.2 -0.951 69.2-108.9-105.0 125.4 0.8 -34.5 -2.0 78 80 A P T 3 S+ 0 0 55 0, 0.0 27,-0.1 0, 0.0 26,-0.1 -0.227 91.3 2.4 -58.2 131.9 1.2 -31.9 -4.9 79 81 A F T 3 S+ 0 0 84 25,-2.0 -74,-2.6 24,-0.2 26,-0.1 0.541 81.2 127.5 76.3 12.5 -0.6 -28.6 -4.5 80 82 A V < + 0 0 0 -3,-1.4 -73,-2.3 -76,-0.3 -74,-0.6 0.825 69.2 58.5 -65.9 -27.5 -2.0 -29.1 -1.0 81 83 A C E -a 7 0A 0 23,-0.3 25,-1.8 -76,-0.2 2,-0.4 -0.802 65.7-163.9-110.8 147.1 -0.4 -25.7 -0.0 82 84 A S E -ac 8 106A 1 -75,-2.8 -73,-2.7 -2,-0.3 2,-0.4 -0.957 5.9-169.7-125.1 143.7 -0.8 -22.2 -1.4 83 85 A Y E -ac 9 107A 0 23,-2.2 25,-1.9 -2,-0.4 2,-0.4 -0.999 6.9-171.2-138.6 137.7 1.5 -19.2 -0.9 84 86 A V E +a 10 0A 0 -75,-1.9 -73,-2.3 -2,-0.4 2,-0.3 -0.993 25.2 134.5-125.5 130.6 1.1 -15.5 -1.7 85 87 A G E -a 11 0A 0 -2,-0.4 25,-2.8 23,-0.4 2,-0.6 -0.966 48.0-103.1-160.5 172.5 3.9 -12.9 -1.4 86 88 A C E +m 110 0C 0 -75,-0.6 33,-0.3 -2,-0.3 2,-0.2 -0.921 36.5 169.5-114.0 118.8 5.6 -10.0 -3.2 87 89 A I E -m 111 0C 3 23,-2.1 25,-3.0 -2,-0.6 2,-0.1 -0.708 31.1-110.9-112.1 168.4 8.9 -10.3 -5.1 88 90 A G - 0 0 2 -2,-0.2 2,-1.2 23,-0.2 29,-0.2 -0.403 35.2 -99.9 -89.0 173.3 10.7 -8.0 -7.5 89 91 A A S S+ 0 0 38 27,-0.5 313,-0.2 23,-0.4 2,-0.2 -0.454 87.6 103.6 -91.4 60.8 11.3 -8.5 -11.2 90 92 A D S > S- 0 0 12 -2,-1.2 4,-1.9 311,-0.1 5,-0.2 -0.759 88.9 -94.3-132.4 177.5 14.8 -9.8 -10.7 91 93 A I H > S+ 0 0 6 -2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.843 120.8 58.3 -66.0 -32.8 16.7 -13.1 -10.8 92 94 A Q H > S+ 0 0 55 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.921 107.8 46.3 -61.7 -45.0 16.4 -13.4 -7.0 93 95 A G H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.903 112.6 49.7 -64.6 -42.5 12.6 -13.3 -7.2 94 96 A K H X S+ 0 0 48 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.890 109.2 52.3 -65.8 -39.0 12.6 -15.8 -10.1 95 97 A Y H X S+ 0 0 1 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.932 109.8 48.9 -60.4 -46.0 14.8 -18.2 -8.2 96 98 A I H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.925 112.1 49.0 -59.9 -43.9 12.4 -18.0 -5.2 97 99 A K H X S+ 0 0 79 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.913 111.0 49.0 -62.0 -44.0 9.5 -18.7 -7.5 98 100 A N H X S+ 0 0 35 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.826 106.5 57.4 -64.7 -32.1 11.2 -21.6 -9.2 99 101 A D H X S+ 0 0 24 -4,-2.0 4,-0.8 2,-0.2 -1,-0.2 0.897 107.3 48.3 -64.8 -41.0 12.1 -23.1 -5.8 100 102 A C H ><>S+ 0 0 0 -4,-1.7 5,-2.3 1,-0.2 3,-0.8 0.912 110.3 50.2 -64.4 -45.7 8.4 -23.1 -4.9 101 103 A S H ><5S+ 0 0 68 -4,-2.0 3,-1.4 1,-0.3 -1,-0.2 0.854 104.4 58.9 -62.6 -35.7 7.3 -24.8 -8.1 102 104 A A H 3<5S+ 0 0 44 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.777 107.2 48.4 -62.8 -26.0 10.0 -27.4 -7.6 103 105 A L T <<5S- 0 0 34 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.367 116.1-113.8 -95.0 3.6 8.2 -28.3 -4.3 104 106 A D T < 5 + 0 0 71 -3,-1.4 -25,-2.0 1,-0.2 2,-0.6 0.764 65.2 151.3 63.0 28.1 4.7 -28.4 -5.9 105 107 A L < - 0 0 4 -5,-2.3 2,-0.3 -6,-0.1 -1,-0.2 -0.817 45.0-132.8 -88.8 117.2 3.7 -25.4 -3.9 106 108 A V E -c 82 0A 45 -25,-1.8 -23,-2.2 -2,-0.6 2,-0.3 -0.562 33.4-176.1 -69.4 127.3 1.0 -23.4 -5.7 107 109 A T E -c 83 0A 24 -2,-0.3 2,-0.2 -25,-0.2 -23,-0.2 -0.917 31.2-169.9-126.8 152.9 1.9 -19.7 -5.7 108 110 A E - 0 0 66 -25,-1.9 -23,-0.4 -2,-0.3 2,-0.2 -0.704 26.2-169.1-134.5 84.3 0.5 -16.4 -6.8 109 111 A F - 0 0 18 -2,-0.2 2,-0.4 -25,-0.2 -23,-0.2 -0.480 17.0-139.6 -75.6 140.8 3.3 -13.8 -6.4 110 112 A Q E -m 86 0C 31 -25,-2.8 -23,-2.1 -2,-0.2 2,-0.5 -0.836 20.7-140.3 -89.6 136.6 2.7 -10.1 -6.7 111 113 A I E -m 87 0C 83 -2,-0.4 -23,-0.2 -25,-0.2 2,-0.1 -0.893 14.1-129.7-103.7 126.7 5.6 -8.6 -8.7 112 114 A A - 0 0 3 -25,-3.0 -23,-0.4 -2,-0.5 2,-0.1 -0.437 30.2 -98.0 -72.3 145.3 6.8 -5.2 -7.4 113 115 A E > - 0 0 162 -2,-0.1 3,-1.9 -25,-0.1 -1,-0.1 -0.422 65.8 -69.7 -59.2 131.9 7.2 -2.3 -9.8 114 116 A E T 3 S+ 0 0 75 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.353 113.6 28.3 -64.8 148.2 10.8 -1.9 -11.0 115 117 A P T 3 S+ 0 0 114 0, 0.0 2,-0.5 0, 0.0 -1,-0.3 -0.808 88.6 107.7-101.4 34.9 13.4 -1.2 -9.7 116 118 A L < - 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0 0 5 -3,-1.1 2,-0.3 -4,-0.3 33,-0.1 -0.395 46.3-172.2 -55.5 125.7 36.0 -26.8 -15.4 488 145 B S > - 0 0 33 -2,-0.1 4,-1.4 1,-0.1 3,-0.4 -0.837 42.7-118.9-130.7 162.2 39.0 -29.1 -14.9 489 146 B L H > S+ 0 0 41 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.844 112.4 62.6 -63.4 -34.5 40.1 -32.8 -15.2 490 147 B A H 4 S+ 0 0 68 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.860 102.6 48.0 -61.2 -38.2 40.7 -32.8 -11.4 491 148 B H H >4 S+ 0 0 18 -3,-0.4 3,-0.6 1,-0.2 -1,-0.2 0.881 113.6 48.1 -69.1 -38.2 37.0 -32.2 -10.7 492 149 B I H 3< S+ 0 0 2 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.862 106.8 56.7 -68.7 -35.6 36.0 -34.9 -13.2 493 150 B E T 3< S+ 0 0 94 -4,-2.4 -1,-0.2 4,-0.1 -2,-0.2 0.542 77.3 115.7 -80.5 -8.1 38.5 -37.4 -11.8 494 151 B Q S X> S- 0 0 73 -3,-0.6 4,-3.6 -4,-0.5 3,-1.4 -0.416 76.1-123.0 -57.8 135.2 37.0 -37.2 -8.3 495 152 B P H 3> S+ 0 0 112 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.855 110.5 50.0 -50.2 -43.5 35.6 -40.6 -7.3 496 153 B H H 34 S+ 0 0 94 2,-0.2 4,-0.1 1,-0.2 -2,-0.1 0.638 118.7 39.4 -76.6 -14.4 32.1 -39.2 -6.7 497 154 B V H X> S+ 0 0 0 -3,-1.4 3,-1.4 -6,-0.1 4,-0.8 0.830 113.5 50.7 -96.5 -46.7 32.1 -37.4 -10.0 498 155 B W H >X S+ 0 0 43 -4,-3.6 4,-2.2 1,-0.3 3,-0.6 0.826 99.8 68.3 -61.5 -30.8 33.8 -40.1 -12.2 499 156 B S H 3X S+ 0 0 51 -4,-1.8 4,-1.7 -5,-0.4 -1,-0.3 0.819 94.8 55.9 -54.5 -33.8 31.2 -42.5 -10.8 500 157 B L H <> S+ 0 0 12 -3,-1.4 4,-0.7 2,-0.2 -1,-0.2 0.822 107.3 49.3 -69.2 -31.6 28.6 -40.6 -12.8 501 158 B V H << S+ 0 0 0 -4,-0.8 3,-0.3 -3,-0.6 -2,-0.2 0.912 110.0 50.6 -70.7 -43.3 30.6 -41.2 -15.9 502 159 B E H < S+ 0 0 113 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.824 109.5 48.8 -67.4 -34.3 31.0 -44.9 -15.3 503 160 B K H < S+ 0 0 89 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.718 95.2 92.0 -79.2 -20.7 27.3 -45.6 -14.7 504 161 B A < - 0 0 0 -4,-0.7 -152,-0.2 -3,-0.3 -151,-0.2 -0.446 48.3-175.8 -75.7 147.0 26.3 -43.8 -17.8 505 162 B Q S S+ 0 0 74 -153,-2.7 29,-2.7 1,-0.2 2,-0.4 0.465 73.6 51.4-114.5 -9.5 25.8 -45.6 -21.1 506 163 B V E -oq 353 534D 4 -154,-2.1 -152,-2.7 27,-0.2 2,-0.4 -0.997 66.1-167.9-132.8 131.2 25.1 -42.5 -23.2 507 164 B Y E -oq 354 535D 0 27,-3.1 29,-2.8 -2,-0.4 2,-0.4 -0.932 7.0-173.3-120.1 143.4 27.1 -39.3 -23.4 508 165 B Y E +oq 355 536D 1 -154,-2.1 -152,-1.0 -2,-0.4 2,-0.4 -0.980 13.1 163.4-131.8 123.8 26.3 -35.9 -24.9 509 166 B I E - q 0 537D 0 27,-2.0 29,-1.1 -2,-0.4 -152,-0.1 -0.971 29.3-134.1-139.8 124.5 28.9 -33.1 -25.0 510 167 B A E > - q 0 538D 1 -154,-0.4 3,-2.0 -2,-0.4 4,-0.2 -0.433 23.9-118.0 -73.5 150.2 28.7 -30.0 -27.2 511 168 B G G > S+ 0 0 0 27,-1.7 3,-2.0 1,-0.3 4,-0.3 0.729 108.3 78.1 -57.9 -23.4 31.7 -28.9 -29.2 512 169 B F G > S+ 0 0 41 1,-0.3 3,-1.2 2,-0.2 4,-0.3 0.737 78.8 71.0 -55.9 -24.6 31.7 -25.7 -27.2 513 170 B V G X> S+ 0 0 0 -3,-2.0 4,-2.6 1,-0.3 3,-0.7 0.652 77.0 80.0 -74.4 -12.3 33.3 -27.7 -24.4 514 171 B I H <> S+ 0 0 11 -3,-2.0 4,-0.6 1,-0.2 -1,-0.3 0.872 92.6 49.8 -57.0 -37.3 36.5 -27.8 -26.4 515 172 B N H <4 S+ 0 0 59 -3,-1.2 -1,-0.2 -4,-0.3 -2,-0.2 0.665 119.6 34.0 -76.7 -18.4 37.3 -24.2 -25.2 516 173 B T H <4 S- 0 0 15 -3,-0.7 -2,-0.2 -4,-0.3 -1,-0.1 0.782 136.1 -1.9-110.5 -36.4 36.8 -24.9 -21.5 517 174 B C H X + 0 0 4 -4,-2.6 4,-1.8 -29,-0.1 5,-0.2 -0.385 60.7 156.0-159.0 72.2 37.9 -28.4 -20.8 518 175 B Y H X S+ 0 0 37 -4,-0.6 4,-2.4 1,-0.2 5,-0.2 0.900 79.2 57.9 -67.1 -41.8 39.1 -30.4 -23.7 519 176 B E H > S+ 0 0 111 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.889 108.6 48.3 -53.5 -40.7 41.2 -32.7 -21.6 520 177 B G H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.918 112.0 44.4 -68.8 -47.6 38.1 -33.6 -19.7 521 178 B M H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.819 111.7 55.4 -69.9 -29.5 35.8 -34.4 -22.6 522 179 B L H X S+ 0 0 23 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.905 105.8 51.3 -67.1 -40.9 38.6 -36.3 -24.3 523 180 B K H X S+ 0 0 79 -4,-1.6 4,-1.6 -5,-0.2 -2,-0.2 0.871 111.7 47.4 -65.6 -37.4 38.9 -38.6 -21.3 524 181 B I H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.907 110.7 51.7 -68.3 -41.6 35.2 -39.3 -21.3 525 182 B A H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.916 109.6 49.2 -62.5 -44.3 35.2 -40.0 -25.0 526 183 B K H X S+ 0 0 100 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.884 112.2 49.4 -61.2 -39.1 38.1 -42.5 -24.7 527 184 B H H X S+ 0 0 20 -4,-1.6 4,-1.5 -5,-0.2 -2,-0.2 0.875 109.4 52.4 -66.9 -39.8 36.2 -44.2 -21.8 528 185 B S H <>S+ 0 0 0 -4,-2.4 5,-3.1 2,-0.2 -2,-0.2 0.933 110.9 45.1 -61.1 -49.8 33.0 -44.3 -23.9 529 186 B L H ><5S+ 0 0 4 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.908 110.5 54.0 -64.6 -43.8 34.6 -46.0 -26.9 530 187 B E H 3<5S+ 0 0 160 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.835 114.9 40.8 -59.2 -35.2 36.5 -48.5 -24.7 531 188 B N T 3<5S- 0 0 85 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.256 113.1-116.6 -99.8 13.3 33.3 -49.6 -23.0 532 189 B E T < 5 + 0 0 113 -3,-1.4 -3,-0.2 1,-0.1 2,-0.1 0.870 62.4 152.7 55.0 41.8 31.2 -49.5 -26.3 533 190 B K < - 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0 0 0 -3,-1.9 -23,-0.2 -4,-0.4 3,-0.1 -0.690 44.9-172.3 -96.4 134.6 31.8 -40.3 -31.5 560 217 B N S S+ 0 0 19 -25,-2.0 44,-3.0 -2,-0.4 2,-0.4 0.759 85.3 29.8 -85.8 -29.9 29.0 -42.7 -32.4 561 218 B I E -rs 536 604D 3 -26,-2.0 -24,-3.0 42,-0.2 2,-0.5 -0.994 67.5-168.7-133.7 127.8 26.6 -39.8 -33.3 562 219 B V E -rs 537 605D 0 42,-3.0 44,-2.6 -2,-0.4 2,-0.4 -0.974 4.9-164.1-118.1 126.0 27.6 -36.4 -34.7 563 220 B F E +rs 538 606D 6 -26,-3.0 -24,-2.6 -2,-0.5 2,-0.3 -0.858 19.8 155.5-102.0 141.9 25.1 -33.5 -35.0 564 221 B G E - s 0 607D 6 42,-2.1 44,-2.4 -2,-0.4 2,-0.2 -0.961 30.0-134.0-151.7 167.5 25.7 -30.5 -37.1 565 222 B N E > - s 0 608D 20 -2,-0.3 4,-2.5 42,-0.2 44,-0.2 -0.723 38.1 -97.2-116.0 177.9 24.0 -27.7 -39.0 566 223 B E H > S+ 0 0 50 42,-1.0 4,-2.9 -2,-0.2 5,-0.2 0.925 121.1 48.7 -60.9 -49.1 24.6 -26.3 -42.5 567 224 B S H > S+ 0 0 59 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.839 114.7 46.4 -65.4 -32.5 26.8 -23.4 -41.5 568 225 B E H > S+ 0 0 8 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.888 112.7 50.5 -69.7 -41.5 28.9 -25.7 -39.3 569 226 B A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.888 109.9 49.5 -66.1 -40.2 29.1 -28.2 -42.1 570 227 B E H X S+ 0 0 87 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.900 112.8 47.4 -63.2 -41.8 30.1 -25.6 -44.7 571 228 B A H X S+ 0 0 6 -4,-1.5 4,-1.7 -5,-0.2 -2,-0.2 0.916 112.5 49.0 -66.9 -42.7 32.9 -24.3 -42.3 572 229 B Y H X S+ 0 0 0 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.929 111.8 49.1 -61.1 -47.2 34.1 -27.9 -41.7 573 230 B G H <>S+ 0 0 0 -4,-2.4 5,-3.3 1,-0.2 4,-0.2 0.876 108.4 51.6 -62.3 -41.9 34.2 -28.7 -45.4 574 231 B E H ><5S+ 0 0 127 -4,-2.0 3,-1.0 1,-0.2 -1,-0.2 0.889 109.5 50.8 -63.3 -40.1 36.1 -25.6 -46.4 575 232 B V H 3<5S+ 0 0 63 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.787 113.2 46.1 -68.1 -27.9 38.8 -26.3 -43.8 576 233 B H T 3<5S- 0 0 40 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.321 118.2-111.0 -98.1 7.9 39.1 -29.9 -45.0 577 234 B G T < 5 + 0 0 53 -3,-1.0 2,-1.4 -4,-0.2 -3,-0.2 0.749 68.1 145.4 72.1 25.1 39.2 -28.8 -48.7 578 235 B L < + 0 0 35 -5,-3.3 -1,-0.2 1,-0.2 8,-0.1 -0.598 11.8 155.2 -90.8 73.5 35.8 -30.3 -49.6 579 236 B L + 0 0 137 -2,-1.4 2,-0.5 -5,-0.1 3,-0.4 0.723 49.7 72.5 -79.6 -21.8 35.0 -27.5 -52.1 580 237 B E S S- 0 0 79 1,-0.2 5,-0.2 -3,-0.2 -1,-0.0 -0.847 121.7 -13.7-100.4 128.7 32.6 -29.5 -54.3 581 238 B D S > S- 0 0 126 -2,-0.5 4,-3.2 3,-0.1 5,-0.3 0.930 84.0-173.3 44.9 55.3 29.1 -30.2 -52.8 582 239 B T H > S+ 0 0 34 -3,-0.4 4,-2.3 1,-0.2 5,-0.2 0.817 70.6 46.7 -50.6 -48.0 30.6 -29.2 -49.5 583 240 B V H > S+ 0 0 8 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.938 118.1 40.9 -65.8 -49.8 27.7 -30.1 -47.1 584 241 B H H > S+ 0 0 60 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.933 116.2 51.5 -60.8 -46.5 27.1 -33.5 -48.6 585 242 B A H X S+ 0 0 28 -4,-3.2 4,-2.4 1,-0.2 -2,-0.2 0.835 109.5 51.3 -58.6 -35.2 30.8 -34.1 -48.9 586 243 B T H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.3 5,-0.3 0.923 107.7 50.0 -70.3 -45.0 31.2 -33.1 -45.2 587 244 B A H X S+ 0 0 1 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.897 114.0 47.3 -59.6 -39.8 28.5 -35.5 -44.0 588 245 B R H X S+ 0 0 54 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.942 112.1 49.2 -64.2 -49.4 30.3 -38.3 -45.9 589 246 B Y H X S+ 0 0 85 -4,-2.4 4,-0.6 1,-0.2 -2,-0.2 0.889 112.4 46.7 -58.6 -46.1 33.7 -37.3 -44.6 590 247 B I H >< S+ 0 0 0 -4,-2.7 3,-0.7 1,-0.2 -1,-0.2 0.902 111.3 52.2 -67.1 -40.8 32.6 -37.2 -41.0 591 248 B A H 3< S+ 0 0 1 -4,-1.9 12,-0.3 -5,-0.3 28,-0.3 0.870 113.3 44.3 -60.5 -37.4 30.8 -40.5 -41.3 592 249 B D H 3< S+ 0 0 85 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.419 78.8 121.5 -96.9 0.4 33.8 -42.3 -42.7 593 250 B L S << S- 0 0 33 -3,-0.7 26,-0.1 -4,-0.6 10,-0.1 -0.397 73.5-103.0 -60.1 137.4 36.5 -41.0 -40.4 594 251 B P - 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