==== 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 19-NOV-11 3UQ9 . COMPND 2 MOLECULE: ADENOSINE KINASE, PUTATIVE; . SOURCE 2 ORGANISM_SCIENTIFIC: SCHISTOSOMA MANSONI; . AUTHOR L.ROMANELLO,A.CASSAGO,F.R.BACHEGA,R.C.GARATT,R.DEMARCO,H.M.P . 683 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28218.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 519 76.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 87 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 49 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 61 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 210 30.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 4 3 1 2 2 2 2 2 4 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 5 1 6 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 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 . 2 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 0 202 0, 0.0 2,-0.2 0, 0.0 311,-0.0 0.000 360.0 360.0 360.0 120.4 -5.9 -37.1 2.3 2 4 A L - 0 0 18 1,-0.1 3,-0.1 73,-0.1 2,-0.1 -0.555 360.0-117.8 -90.5 148.7 -6.0 -33.3 1.9 3 5 A S > - 0 0 66 -2,-0.2 3,-1.4 1,-0.1 2,-0.1 -0.339 45.1 -79.8 -77.8 163.2 -7.4 -31.4 -1.0 4 6 A E T 3 S+ 0 0 99 1,-0.3 76,-0.3 2,-0.1 -1,-0.1 -0.422 117.7 16.3 -66.5 134.0 -5.3 -29.1 -3.1 5 7 A G T 3 S+ 0 0 1 74,-1.8 -1,-0.3 -2,-0.1 76,-0.2 0.712 79.5 141.3 75.2 21.3 -4.7 -25.7 -1.6 6 8 A Y < + 0 0 58 -3,-1.4 154,-2.7 74,-0.5 155,-2.1 0.869 66.3 48.5 -59.6 -38.3 -5.8 -27.0 1.9 7 9 A V E S-ab 81 161A 0 73,-2.0 75,-2.5 152,-0.2 2,-0.4 -0.911 72.4-172.9-110.7 129.5 -3.0 -24.9 3.5 8 10 A F E +ab 82 162A 1 153,-2.8 155,-2.2 -2,-0.5 2,-0.3 -0.969 6.0 173.7-124.3 137.4 -2.5 -21.2 2.7 9 11 A G E -ab 83 163A 0 73,-2.2 75,-1.6 -2,-0.4 2,-0.3 -0.979 11.6-168.7-134.2 150.0 0.2 -18.8 3.7 10 12 A M E +a 84 0A 0 153,-0.6 155,-0.4 -2,-0.3 2,-0.3 -0.986 32.9 117.1-129.5 147.0 1.2 -15.2 2.8 11 13 A G E -a 85 0A 0 73,-2.0 75,-0.5 -2,-0.3 131,-0.1 -0.920 62.0 -47.0-173.9-161.1 4.5 -13.7 3.8 12 14 A N - 0 0 9 -2,-0.3 2,-0.7 73,-0.1 53,-0.2 -0.852 41.9-153.2-102.4 104.9 7.8 -12.1 3.0 13 15 A P + 0 0 0 0, 0.0 106,-0.5 0, 0.0 2,-0.3 -0.686 31.2 168.7 -79.2 115.9 9.7 -14.1 0.3 14 16 A L E -I 61 0B 11 -2,-0.7 47,-3.3 47,-0.6 2,-0.6 -0.878 37.1-122.3-130.9 157.0 13.4 -13.3 1.0 15 17 A L E -Ij 60 120B 5 104,-1.7 106,-3.2 -2,-0.3 2,-0.5 -0.891 25.0-142.2 -98.3 123.5 16.8 -14.5 0.0 16 18 A D E -Ij 59 121B 6 43,-2.8 43,-2.2 -2,-0.6 2,-0.6 -0.738 10.2-165.0 -82.3 129.4 19.1 -15.6 2.9 17 19 A I E -Ij 58 122B 8 104,-3.1 106,-2.5 -2,-0.5 2,-0.6 -0.892 12.4-162.6-113.0 97.5 22.7 -14.6 2.5 18 20 A I E +Ij 57 123B 16 39,-2.7 39,-1.9 -2,-0.6 2,-0.4 -0.728 14.6 172.8 -91.7 119.7 24.6 -16.7 5.0 19 21 A V E - j 0 124B 1 104,-2.8 106,-3.4 -2,-0.6 2,-1.2 -0.950 41.0-122.1-128.7 140.1 28.1 -15.6 5.9 20 22 A D E - j 0 125B 109 -2,-0.4 2,-0.2 34,-0.3 106,-0.2 -0.716 47.6-154.9 -72.1 99.8 30.8 -16.5 8.4 21 23 A A - 0 0 10 104,-1.4 2,-0.1 -2,-1.2 29,-0.0 -0.515 10.1-122.3 -86.8 146.6 31.0 -13.1 10.0 22 24 A D > - 0 0 66 -2,-0.2 3,-0.8 1,-0.1 4,-0.5 -0.410 30.3-110.3 -75.7 161.8 34.0 -11.6 11.8 23 25 A D T >> S+ 0 0 79 1,-0.2 3,-1.0 2,-0.2 4,-0.9 0.825 113.5 64.1 -65.3 -32.6 33.5 -10.4 15.4 24 26 A F H 3> S+ 0 0 81 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.796 90.2 69.1 -63.2 -27.6 33.8 -6.7 14.5 25 27 A M H <> S+ 0 0 6 -3,-0.8 4,-2.2 1,-0.2 -1,-0.2 0.852 96.8 51.2 -57.5 -38.7 30.7 -7.0 12.4 26 28 A Y H <4>S+ 0 0 8 -3,-1.0 5,-3.1 -4,-0.5 -1,-0.2 0.850 115.6 40.3 -72.7 -35.1 28.5 -7.5 15.5 27 29 A R H ><5S+ 0 0 186 -4,-0.9 3,-0.7 3,-0.2 -2,-0.2 0.874 114.0 54.9 -77.0 -40.1 29.9 -4.5 17.3 28 30 A K H 3<5S+ 0 0 115 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.913 119.8 29.8 -60.7 -47.4 30.0 -2.4 14.1 29 31 A Y T 3<5S- 0 0 9 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.261 109.2-120.2 -97.8 12.7 26.3 -2.9 13.3 30 32 A N T < 5 + 0 0 112 -3,-0.7 2,-0.4 1,-0.2 -3,-0.2 0.947 48.4 176.5 45.6 63.5 25.3 -3.2 17.0 31 33 A L < - 0 0 8 -5,-3.1 -1,-0.2 -6,-0.1 2,-0.2 -0.848 17.9-147.2-105.9 132.4 23.9 -6.7 16.6 32 34 A K > - 0 0 127 -2,-0.4 3,-1.4 1,-0.1 2,-0.1 -0.496 34.4 -80.6 -93.8 162.5 22.5 -8.8 19.4 33 35 A K T 3 S- 0 0 124 1,-0.3 98,-0.2 -2,-0.2 -1,-0.1 -0.393 108.9 -9.0 -64.4 130.8 22.6 -12.6 19.9 34 36 A D T 3 S+ 0 0 99 96,-2.5 -1,-0.3 1,-0.2 97,-0.2 0.704 104.8 142.7 56.1 23.8 19.9 -14.5 18.0 35 37 A N E < -k 131 0B 43 -3,-1.4 97,-2.2 95,-0.7 2,-0.4 -0.554 42.8-148.4 -99.5 159.3 18.3 -11.2 17.1 36 38 A I E -k 132 0B 26 -2,-0.2 2,-0.4 95,-0.2 162,-0.2 -0.989 16.4-178.8-125.2 131.8 16.5 -10.0 14.1 37 39 A V E -k 133 0B 32 95,-1.9 97,-3.3 -2,-0.4 2,-0.5 -0.985 28.7-128.3-130.4 142.8 16.5 -6.3 12.9 38 40 A L E -k 134 0B 56 -2,-0.4 97,-0.2 95,-0.2 5,-0.1 -0.794 47.9-105.2 -81.5 125.9 14.9 -4.5 10.0 39 41 A A - 0 0 21 95,-3.3 2,-0.2 -2,-0.5 97,-0.1 -0.203 37.9-172.8 -59.1 137.5 17.7 -2.6 8.3 40 42 A E >> - 0 0 111 95,-0.0 3,-1.4 -3,-0.0 4,-0.9 -0.605 48.1 -84.6-111.3-177.1 17.9 1.1 8.8 41 43 A E G >4 S+ 0 0 159 1,-0.3 3,-1.0 -2,-0.2 4,-0.4 0.893 128.0 59.4 -58.0 -42.0 20.4 3.4 6.9 42 44 A K G 34 S+ 0 0 144 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.710 108.0 47.5 -59.6 -21.2 23.1 2.7 9.5 43 45 A H G X4 S+ 0 0 10 -3,-1.4 3,-2.6 1,-0.1 4,-0.3 0.706 85.5 91.9 -89.2 -21.8 22.9 -1.0 8.5 44 46 A M T XX S+ 0 0 45 -3,-1.0 3,-0.8 -4,-0.9 4,-0.5 0.682 75.0 63.2 -56.6 -27.8 22.9 -0.6 4.7 45 47 A T H 3> S+ 0 0 80 -4,-0.4 4,-2.1 1,-0.2 -1,-0.3 0.694 84.6 80.4 -68.4 -17.8 26.6 -1.0 4.2 46 48 A I H <> S+ 0 0 0 -3,-2.6 4,-2.6 1,-0.2 5,-0.2 0.873 85.8 56.7 -58.4 -37.6 26.5 -4.5 5.6 47 49 A Y H <> S+ 0 0 11 -3,-0.8 4,-0.9 -4,-0.3 -1,-0.2 0.896 112.0 39.1 -67.5 -41.5 25.2 -6.0 2.3 48 50 A D H X S+ 0 0 120 -4,-0.5 4,-0.6 -3,-0.2 -1,-0.2 0.842 114.6 57.3 -73.2 -31.5 28.2 -4.7 0.2 49 51 A E H >< S+ 0 0 32 -4,-2.1 3,-0.8 1,-0.2 4,-0.4 0.900 107.0 45.2 -67.9 -41.6 30.5 -5.5 3.1 50 52 A I H >< S+ 0 0 3 -4,-2.6 3,-1.1 1,-0.2 -1,-0.2 0.759 101.0 68.8 -74.5 -22.6 29.6 -9.2 3.3 51 53 A Q H 3< S+ 0 0 91 -4,-0.9 -1,-0.2 1,-0.3 -2,-0.2 0.736 91.6 62.4 -64.4 -21.5 29.8 -9.5 -0.5 52 54 A K T << S+ 0 0 166 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.756 90.9 87.5 -73.3 -24.6 33.5 -9.1 -0.1 53 55 A K S < S- 0 0 61 -3,-1.1 3,-0.3 -4,-0.4 -32,-0.0 -0.477 74.8-130.9 -80.2 145.6 33.6 -12.3 1.9 54 56 A K S S+ 0 0 121 1,-0.2 -34,-0.3 -2,-0.2 -1,-0.1 -0.210 81.0 46.2 -80.2 177.0 34.1 -15.7 0.4 55 57 A K S S+ 0 0 156 1,-0.2 -1,-0.2 -36,-0.1 2,-0.2 0.744 71.8 171.9 63.4 28.1 32.0 -18.8 1.1 56 58 A L - 0 0 19 -3,-0.3 2,-0.6 379,-0.2 -1,-0.2 -0.480 21.6-151.1 -70.6 137.6 28.6 -17.0 0.8 57 59 A N E -I 18 0B 53 -39,-1.9 -39,-2.7 -2,-0.2 2,-0.6 -0.937 7.2-165.2-113.7 110.8 25.6 -19.3 0.8 58 60 A Y E +I 17 0B 20 -2,-0.6 2,-0.3 -41,-0.2 -41,-0.2 -0.855 22.8 157.3 -94.9 119.2 22.6 -17.9 -1.1 59 61 A I E -I 16 0B 12 -43,-2.2 -43,-2.8 -2,-0.6 277,-0.1 -0.999 46.3 -94.9-146.8 139.9 19.4 -19.8 -0.2 60 62 A A E +I 15 0B 0 -2,-0.3 276,-0.3 -45,-0.2 -45,-0.2 -0.208 53.8 162.4 -50.9 136.3 15.6 -19.1 -0.3 61 63 A G E +I 14 0B 0 -47,-3.3 -47,-0.6 274,-0.1 -1,-0.1 -0.493 20.4 132.6-136.9-154.1 14.2 -17.8 3.0 62 64 A G > - 0 0 6 -49,-0.2 4,-3.1 -2,-0.2 5,-0.2 0.464 53.4-118.7 97.8 118.0 11.3 -16.0 4.5 63 65 A A H > S+ 0 0 15 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.925 111.4 41.3 -55.1 -57.1 9.7 -17.3 7.7 64 66 A T H > S+ 0 0 3 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.924 116.9 50.3 -58.3 -45.2 6.2 -18.0 6.4 65 67 A L H > S+ 0 0 0 -53,-0.2 4,-2.4 1,-0.2 5,-0.3 0.906 108.0 52.7 -59.5 -46.0 7.6 -19.4 3.1 66 68 A N H X S+ 0 0 3 -4,-3.1 4,-1.2 2,-0.2 -1,-0.2 0.925 114.4 42.8 -53.7 -49.2 9.9 -21.7 5.0 67 69 A T H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.2 3,-0.3 0.959 115.5 45.3 -64.6 -55.7 7.1 -23.1 7.1 68 70 A V H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.881 113.7 49.1 -62.7 -38.4 4.4 -23.5 4.3 69 71 A K H X S+ 0 0 5 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.2 0.797 110.2 51.5 -74.8 -24.5 6.8 -25.1 1.8 70 72 A M H X S+ 0 0 0 -4,-1.2 4,-2.9 -3,-0.3 -2,-0.2 0.846 106.6 53.9 -77.8 -32.8 8.0 -27.6 4.4 71 73 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.950 111.1 46.9 -57.8 -47.4 4.4 -28.5 5.2 72 74 A Q H X S+ 0 0 3 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.912 112.4 49.7 -57.7 -44.5 4.1 -29.1 1.4 73 75 A W H < S+ 0 0 20 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.894 112.4 47.4 -64.3 -41.2 7.4 -31.1 1.5 74 76 A I H < S+ 0 0 11 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.934 112.0 47.8 -65.6 -47.8 6.2 -33.2 4.5 75 77 A I H < S- 0 0 20 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.779 85.8-159.3 -68.9 -28.0 2.8 -34.0 3.1 76 78 A Q < + 0 0 114 -4,-1.7 -1,-0.1 -5,-0.2 -3,-0.1 0.202 49.5 123.6 68.7 -17.4 4.2 -35.0 -0.4 77 79 A K > - 0 0 71 -5,-0.1 3,-1.4 1,-0.1 4,-0.3 -0.674 69.8-113.3 -77.1 119.5 0.8 -34.5 -2.1 78 80 A P T 3 S+ 0 0 56 0, 0.0 27,-0.1 0, 0.0 26,-0.1 -0.176 89.2 5.0 -56.0 138.9 1.4 -32.0 -4.9 79 81 A F T 3 S+ 0 0 83 25,-1.9 -74,-1.8 24,-0.1 26,-0.1 0.606 83.7 126.6 68.0 15.6 -0.3 -28.5 -4.7 80 82 A V < + 0 0 0 -3,-1.4 -73,-2.0 -76,-0.3 -74,-0.5 0.848 69.0 54.3 -70.7 -31.0 -1.7 -29.1 -1.2 81 83 A C E -a 7 0A 0 23,-0.3 25,-1.9 -4,-0.3 2,-0.4 -0.798 67.3-167.6-105.8 144.6 0.0 -25.8 -0.1 82 84 A S E -ac 8 106A 0 -75,-2.5 -73,-2.2 -2,-0.3 2,-0.4 -0.983 3.6-167.5-131.2 146.4 -0.3 -22.4 -1.6 83 85 A Y E -ac 9 107A 0 23,-2.4 25,-1.8 -2,-0.4 2,-0.4 -0.977 7.6-165.4-136.3 143.5 1.8 -19.3 -0.9 84 86 A V E +a 10 0A 0 -75,-1.6 -73,-2.0 -2,-0.4 2,-0.3 -0.995 26.2 137.8-131.4 128.1 1.5 -15.6 -1.8 85 87 A G E -a 11 0A 0 -2,-0.4 25,-3.1 23,-0.3 2,-0.6 -0.960 47.1-107.0-156.5 170.3 4.3 -13.0 -1.5 86 88 A C E +m 110 0C 0 -75,-0.5 33,-0.4 -2,-0.3 2,-0.2 -0.940 37.6 168.9-112.4 117.9 5.9 -10.1 -3.3 87 89 A I E -m 111 0C 6 23,-2.1 25,-2.9 -2,-0.6 2,-0.2 -0.616 31.7-107.8-110.0 176.3 9.2 -10.5 -5.0 88 90 A G - 0 0 3 23,-0.2 2,-1.5 -2,-0.2 29,-0.2 -0.544 33.1-101.7 -98.7 170.3 11.1 -8.2 -7.4 89 91 A A S S+ 0 0 37 27,-0.5 313,-0.2 23,-0.4 2,-0.2 -0.405 87.7 104.6 -87.6 58.7 11.6 -8.6 -11.2 90 92 A D S > S- 0 0 12 -2,-1.5 4,-1.7 311,-0.1 5,-0.2 -0.762 88.5 -96.3-131.5 176.2 15.2 -9.9 -10.6 91 93 A I H > S+ 0 0 6 -2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.822 120.4 57.3 -67.1 -30.3 17.1 -13.2 -10.7 92 94 A Q H > S+ 0 0 54 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.901 107.3 48.0 -66.1 -41.9 16.8 -13.6 -6.9 93 95 A G H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.876 112.7 48.4 -65.8 -38.2 13.0 -13.4 -7.2 94 96 A K H X S+ 0 0 51 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.891 108.5 54.0 -71.5 -39.2 12.9 -15.9 -10.0 95 97 A Y H X S+ 0 0 2 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.936 111.2 46.0 -55.5 -48.5 15.2 -18.3 -8.1 96 98 A I H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.905 111.6 51.8 -61.7 -42.6 12.8 -18.2 -5.2 97 99 A K H X S+ 0 0 85 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.867 112.0 46.3 -63.9 -37.0 9.8 -18.7 -7.5 98 100 A N H X S+ 0 0 37 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.782 106.5 58.9 -75.0 -28.6 11.6 -21.7 -9.1 99 101 A D H X S+ 0 0 23 -4,-1.9 4,-0.8 -5,-0.2 -2,-0.2 0.910 108.3 46.7 -64.0 -41.8 12.4 -23.1 -5.6 100 102 A C H ><>S+ 0 0 0 -4,-1.9 5,-2.2 1,-0.2 3,-0.9 0.926 109.7 51.5 -66.1 -47.6 8.7 -23.1 -4.8 101 103 A S H ><5S+ 0 0 62 -4,-1.8 3,-1.7 1,-0.3 -1,-0.2 0.868 104.2 58.5 -58.5 -38.8 7.7 -24.8 -8.1 102 104 A A H 3<5S+ 0 0 46 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.801 106.1 49.6 -61.0 -28.9 10.3 -27.5 -7.5 103 105 A L T <<5S- 0 0 32 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.375 116.8-113.7 -91.3 4.8 8.5 -28.3 -4.3 104 106 A D T < 5 + 0 0 67 -3,-1.7 -25,-1.9 1,-0.2 2,-0.6 0.758 64.6 153.3 63.6 27.2 5.0 -28.5 -5.9 105 107 A L < - 0 0 6 -5,-2.2 2,-0.4 -6,-0.1 -1,-0.2 -0.791 43.3-134.2 -86.9 118.2 4.0 -25.4 -3.9 106 108 A V E -c 82 0A 44 -25,-1.9 -23,-2.4 -2,-0.6 2,-0.3 -0.604 33.5-177.5 -72.3 124.9 1.3 -23.4 -5.7 107 109 A T E -c 83 0A 18 -2,-0.4 -23,-0.2 -25,-0.2 2,-0.1 -0.890 32.3-168.9-125.4 155.1 2.3 -19.7 -5.7 108 110 A E - 0 0 65 -25,-1.8 -23,-0.3 -2,-0.3 2,-0.2 -0.643 25.8-169.4-134.7 78.4 0.8 -16.4 -6.8 109 111 A F - 0 0 19 -25,-0.2 2,-0.4 -2,-0.1 -23,-0.2 -0.446 16.7-138.6 -70.4 137.1 3.7 -14.0 -6.4 110 112 A Q E -m 86 0C 31 -25,-3.1 -23,-2.1 -2,-0.2 2,-0.6 -0.799 20.2-138.8 -84.8 137.8 3.1 -10.3 -6.7 111 113 A I E -m 87 0C 112 -2,-0.4 -23,-0.2 -25,-0.2 2,-0.1 -0.911 13.1-134.2-104.6 121.4 5.9 -8.7 -8.7 112 114 A A - 0 0 3 -25,-2.9 -23,-0.4 -2,-0.6 2,-0.2 -0.380 31.4 -95.8 -70.7 148.3 7.1 -5.3 -7.4 113 115 A E > - 0 0 164 -25,-0.1 3,-1.8 1,-0.1 -1,-0.1 -0.444 64.7 -70.0 -67.4 132.1 7.6 -2.5 -9.8 114 116 A E T 3 S+ 0 0 42 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.299 113.2 28.7 -60.4 147.9 11.2 -2.2 -11.0 115 117 A P T 3 S+ 0 0 102 0, 0.0 2,-0.5 0, 0.0 -1,-0.3 -0.827 89.5 106.1-100.4 32.9 13.8 -1.4 -9.7 116 118 A L < - 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0 0 6 -3,-1.2 2,-0.3 -4,-0.2 33,-0.1 -0.465 46.2-165.5 -59.2 121.0 36.5 -26.9 -15.2 487 145 B S > - 0 0 42 -2,-0.3 4,-1.3 1,-0.1 3,-0.5 -0.768 36.4-123.4-117.7 158.3 39.5 -29.1 -14.6 488 146 B L H > S+ 0 0 42 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.860 111.2 63.2 -61.3 -36.4 40.5 -32.7 -15.2 489 147 B A H > S+ 0 0 64 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.826 100.5 50.8 -60.4 -35.0 41.2 -33.0 -11.4 490 148 B H H >4 S+ 0 0 17 -3,-0.5 3,-0.5 1,-0.2 -1,-0.2 0.895 111.9 47.0 -69.7 -40.9 37.5 -32.3 -10.6 491 149 B I H 3< S+ 0 0 0 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.862 107.4 57.0 -68.4 -35.5 36.3 -35.0 -13.1 492 150 B E H 3< S+ 0 0 88 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.627 77.7 115.4 -76.4 -12.8 38.9 -37.5 -11.8 493 151 B Q S XX S- 0 0 82 -4,-0.6 4,-3.4 -3,-0.5 3,-2.1 -0.403 76.3-123.0 -58.4 130.4 37.5 -37.2 -8.2 494 152 B P H 3> S+ 0 0 107 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.806 109.9 50.9 -47.1 -44.4 36.0 -40.6 -7.3 495 153 B H H 34 S+ 0 0 101 1,-0.2 -2,-0.1 2,-0.2 4,-0.1 0.669 119.3 38.5 -74.1 -15.5 32.6 -39.3 -6.4 496 154 B V H X> S+ 0 0 0 -3,-2.1 3,-1.2 -6,-0.2 4,-0.7 0.794 112.6 53.8 -97.7 -40.8 32.5 -37.5 -9.8 497 155 B W H >X S+ 0 0 37 -4,-3.4 4,-2.2 1,-0.3 3,-0.6 0.810 97.7 66.5 -65.8 -27.8 34.2 -40.2 -11.9 498 156 B S H 3X S+ 0 0 46 -4,-1.8 4,-1.7 -5,-0.3 -1,-0.3 0.746 94.6 58.8 -65.8 -21.7 31.6 -42.8 -10.7 499 157 B L H <> S+ 0 0 11 -3,-1.2 4,-0.8 2,-0.2 -1,-0.3 0.831 106.7 48.1 -71.7 -32.6 29.0 -40.8 -12.6 500 158 B V H << S+ 0 0 0 -4,-0.7 3,-0.4 -3,-0.6 -2,-0.2 0.932 112.1 48.2 -69.5 -45.7 31.1 -41.4 -15.7 501 159 B E H < S+ 0 0 109 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.824 110.6 50.0 -67.6 -34.1 31.5 -45.1 -15.1 502 160 B K H < S+ 0 0 90 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.709 95.1 91.6 -79.3 -19.5 27.8 -45.7 -14.4 503 161 B A < - 0 0 0 -4,-0.8 -151,-0.2 -3,-0.4 -150,-0.2 -0.453 48.7-175.1 -76.3 147.3 26.7 -43.9 -17.6 504 162 B Q S S+ 0 0 73 -152,-2.8 29,-2.5 1,-0.2 2,-0.4 0.428 74.7 49.0-113.9 -6.3 26.2 -45.8 -20.9 505 163 B V E -oq 353 533D 4 -153,-1.8 -151,-2.9 27,-0.2 2,-0.4 -0.999 65.9-166.7-140.0 129.5 25.6 -42.6 -22.9 506 164 B Y E -oq 354 534D 0 27,-3.1 29,-2.7 -2,-0.4 2,-0.4 -0.919 6.4-172.1-119.2 145.0 27.5 -39.4 -23.1 507 165 B Y E +oq 355 535D 1 -153,-2.1 -151,-0.7 -2,-0.4 2,-0.4 -0.956 15.0 161.2-132.8 119.5 26.7 -36.0 -24.6 508 166 B I E - q 0 536D 0 27,-2.0 29,-1.0 -2,-0.4 -151,-0.1 -0.983 30.9-134.0-137.1 125.0 29.3 -33.2 -24.8 509 167 B A E > - q 0 537D 0 -2,-0.4 3,-1.9 -153,-0.4 4,-0.2 -0.447 23.6-119.6 -71.9 148.6 29.2 -30.2 -27.1 510 168 B G G > S+ 0 0 0 27,-2.2 3,-1.8 1,-0.3 4,-0.3 0.672 107.2 80.8 -58.9 -18.3 32.2 -29.2 -29.1 511 169 B F G > S+ 0 0 43 1,-0.3 3,-1.3 2,-0.2 4,-0.3 0.775 78.4 68.7 -56.2 -27.9 32.1 -26.0 -27.1 512 170 B V G X> S+ 0 0 1 -3,-1.9 4,-2.6 1,-0.3 3,-0.9 0.628 76.2 82.4 -74.1 -11.9 33.8 -27.8 -24.2 513 171 B I H <> S+ 0 0 10 -3,-1.8 4,-0.5 1,-0.2 -1,-0.3 0.865 93.0 49.1 -55.7 -35.8 37.0 -28.0 -26.3 514 172 B N H <4 S+ 0 0 60 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.2 0.633 120.0 33.3 -80.4 -16.1 37.7 -24.4 -25.2 515 173 B T H <4 S- 0 0 15 -3,-0.9 -2,-0.2 -4,-0.3 -3,-0.1 0.791 136.7 -2.0-111.3 -41.8 37.1 -25.0 -21.4 516 174 B C H X + 0 0 8 -4,-2.6 4,-1.9 1,-0.1 5,-0.2 -0.412 62.7 156.6-153.5 72.4 38.2 -28.6 -20.6 517 175 B Y H X S+ 0 0 37 -4,-0.5 4,-2.7 1,-0.2 5,-0.2 0.887 78.0 56.5 -67.1 -40.3 39.4 -30.6 -23.5 518 176 B E H > S+ 0 0 131 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.905 107.9 50.4 -57.1 -43.3 41.4 -33.0 -21.4 519 177 B G H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.944 113.1 42.5 -59.8 -52.7 38.3 -33.8 -19.5 520 178 B M H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.853 113.4 54.1 -66.5 -33.6 36.1 -34.6 -22.5 521 179 B L H X S+ 0 0 25 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.897 108.1 49.5 -65.3 -40.9 39.0 -36.5 -24.1 522 180 B K H X S+ 0 0 74 -4,-2.2 4,-1.7 -5,-0.2 -2,-0.2 0.890 112.0 48.0 -65.5 -40.3 39.3 -38.7 -21.1 523 181 B I H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.900 111.5 51.3 -66.5 -38.6 35.6 -39.4 -21.0 524 182 B A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.930 108.6 49.2 -64.4 -48.2 35.6 -40.2 -24.8 525 183 B K H X S+ 0 0 99 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.884 113.4 49.5 -57.7 -39.0 38.5 -42.6 -24.5 526 184 B H H X S+ 0 0 24 -4,-1.7 4,-1.4 -5,-0.2 -2,-0.2 0.892 108.6 51.7 -66.4 -43.2 36.6 -44.3 -21.7 527 185 B S H <>S+ 0 0 0 -4,-2.5 5,-3.6 1,-0.2 -2,-0.2 0.911 113.4 44.0 -60.2 -44.9 33.4 -44.4 -23.7 528 186 B L H ><5S+ 0 0 3 -4,-2.4 3,-1.6 3,-0.2 -2,-0.2 0.899 109.8 54.5 -70.4 -41.5 35.0 -46.1 -26.6 529 187 B E H 3<5S+ 0 0 162 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.803 116.1 40.6 -62.8 -28.1 37.0 -48.6 -24.5 530 188 B N T 3<5S- 0 0 83 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.197 112.9-117.1-106.3 15.4 33.8 -49.6 -22.9 531 189 B E T < 5 + 0 0 121 -3,-1.6 -3,-0.2 1,-0.1 2,-0.1 0.875 61.7 153.6 51.1 44.2 31.7 -49.6 -26.1 532 190 B K < - 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