==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-FEB-13 4JEP . COMPND 2 MOLECULE: NUCLEOSIDE-TRIPHOSPHATASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: TOXOPLASMA GONDII; . AUTHOR U.KRUG,R.TOTZAUER,N.STRATER . 1126 11 13 6 7 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 54729.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 737 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 112 9.9 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 . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 78 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 355 31.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 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 1 1 2 3 3 2 2 4 5 0 3 2 0 2 0 0 0 1 0 0 1 1 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 4 2 4 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 0 PARALLEL BRIDGES PER LADDER . 2 7 7 7 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 5 1 3 4 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 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 33 A G > 0 0 94 0, 0.0 4,-1.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0-121.3 -85.8 -27.6 -74.3 2 34 A V H > + 0 0 110 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.828 360.0 51.4 -69.9 -33.8 -83.4 -26.7 -77.2 3 35 A D H > S+ 0 0 130 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.857 110.2 48.2 -71.0 -39.2 -83.1 -23.1 -75.9 4 36 A A H > S+ 0 0 65 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.794 113.2 49.0 -70.5 -32.4 -82.3 -24.2 -72.3 5 37 A D H X S+ 0 0 96 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.905 114.2 44.2 -71.9 -47.1 -79.6 -26.6 -73.7 6 38 A T H X S+ 0 0 68 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.905 113.2 50.0 -65.8 -47.4 -77.9 -24.0 -76.0 7 39 A E H X S+ 0 0 157 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.828 114.4 44.5 -62.9 -37.2 -77.9 -21.2 -73.4 8 40 A K H X S+ 0 0 132 -4,-1.2 4,-2.0 2,-0.2 -1,-0.2 0.899 111.6 52.5 -73.9 -43.1 -76.3 -23.4 -70.6 9 41 A R H X S+ 0 0 186 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.844 111.7 46.5 -59.8 -39.8 -73.7 -24.9 -73.1 10 42 A I H X S+ 0 0 90 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.906 110.9 53.4 -67.9 -44.3 -72.6 -21.4 -74.1 11 43 A N H X S+ 0 0 87 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.835 108.2 49.3 -59.7 -40.0 -72.5 -20.3 -70.4 12 44 A V H X S+ 0 0 85 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.903 114.3 45.7 -66.9 -42.8 -70.2 -23.2 -69.5 13 45 A G H X S+ 0 0 36 -4,-1.5 4,-1.1 2,-0.2 -2,-0.2 0.807 114.3 48.8 -68.3 -33.9 -67.9 -22.3 -72.4 14 46 A K H X S+ 0 0 131 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.903 111.5 47.7 -72.8 -44.9 -68.0 -18.6 -71.5 15 47 A T H X S+ 0 0 63 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.725 106.0 61.1 -68.5 -24.1 -67.2 -19.2 -67.8 16 48 A H H X S+ 0 0 118 -4,-1.2 4,-1.5 2,-0.2 -1,-0.2 0.907 108.9 40.8 -67.6 -44.7 -64.3 -21.6 -68.8 17 49 A L H X S+ 0 0 95 -4,-1.1 4,-2.6 2,-0.2 -2,-0.2 0.844 111.5 57.2 -71.4 -37.6 -62.5 -18.7 -70.7 18 50 A Q H X S+ 0 0 112 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.871 109.2 45.5 -60.1 -41.6 -63.3 -16.2 -67.8 19 51 A T H X S+ 0 0 81 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.869 114.5 48.7 -69.2 -40.7 -61.6 -18.5 -65.3 20 52 A L H X S+ 0 0 81 -4,-1.5 4,-0.8 1,-0.2 -2,-0.2 0.858 111.0 49.1 -68.0 -40.0 -58.6 -19.0 -67.7 21 53 A R H X S+ 0 0 168 -4,-2.6 4,-1.1 1,-0.2 -1,-0.2 0.797 108.9 54.9 -69.1 -31.9 -58.2 -15.2 -68.4 22 54 A N H X S+ 0 0 65 -4,-1.3 4,-3.2 1,-0.2 -2,-0.2 0.855 99.8 59.4 -69.2 -39.1 -58.3 -14.5 -64.6 23 55 A L H < S+ 0 0 92 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.808 106.4 48.4 -59.2 -35.5 -55.4 -16.9 -63.8 24 56 A E H < S+ 0 0 149 -4,-0.8 -1,-0.2 -3,-0.1 -2,-0.2 0.847 121.7 33.2 -73.2 -39.9 -53.1 -14.8 -66.1 25 57 A T H < S+ 0 0 97 -4,-1.1 -2,-0.2 -3,-0.1 -3,-0.1 0.854 103.0 80.1 -87.0 -43.8 -54.0 -11.4 -64.6 26 58 A R S < S- 0 0 170 -4,-3.2 2,-0.2 -5,-0.1 29,-0.0 -0.284 85.7-100.9 -69.9 154.2 -54.7 -12.2 -60.9 27 59 A a - 0 0 55 29,-0.1 2,-0.4 30,-0.0 29,-0.2 -0.498 31.8-139.4 -75.9 142.2 -51.9 -12.6 -58.2 28 60 A H E -A 55 0A 87 27,-2.3 27,-2.8 -2,-0.2 2,-0.5 -0.897 6.7-143.0-109.1 132.3 -50.9 -16.2 -57.2 29 61 A D E +A 54 0A 86 -2,-0.4 2,-0.4 25,-0.2 25,-0.2 -0.831 20.6 179.9 -97.8 126.2 -50.1 -17.2 -53.5 30 62 A S E -A 53 0A 28 23,-2.0 23,-3.1 -2,-0.5 2,-0.3 -0.982 26.7-121.9-128.0 137.7 -47.3 -19.7 -52.9 31 63 A L E -A 52 0A 36 -2,-0.4 2,-0.3 21,-0.2 116,-0.2 -0.626 31.7-174.4 -80.4 132.6 -46.0 -21.0 -49.5 32 64 A Q E -A 51 0A 2 19,-3.0 19,-2.5 -2,-0.3 2,-0.3 -0.971 16.5-136.5-130.4 144.6 -42.3 -20.4 -48.7 33 65 A A E -A 50 0A 0 -2,-0.3 2,-0.4 111,-0.3 17,-0.2 -0.776 13.4-163.1-101.3 143.6 -40.1 -21.6 -45.8 34 66 A L E -A 49 0A 0 15,-1.8 15,-2.9 -2,-0.3 2,-0.4 -0.998 4.5-156.2-128.9 128.1 -37.6 -19.4 -44.0 35 67 A V E -Ab 48 151A 2 115,-2.3 117,-2.4 -2,-0.4 2,-0.4 -0.916 10.4-178.9-110.4 129.6 -34.7 -20.7 -41.8 36 68 A V E -Ab 47 152A 0 11,-2.4 11,-1.1 -2,-0.4 2,-0.7 -0.995 14.9-152.1-126.6 119.1 -33.1 -18.7 -38.9 37 69 A I E -Ab 46 153A 5 115,-1.1 117,-2.1 -2,-0.4 2,-1.1 -0.866 6.5-150.1 -99.3 112.5 -30.2 -20.3 -37.0 38 70 A D E -Ab 45 154A 30 7,-2.8 7,-2.5 -2,-0.7 2,-0.6 -0.714 19.6-177.7 -83.1 93.6 -29.9 -19.0 -33.4 39 71 A A E +Ab 44 155A 0 115,-1.8 117,-2.0 -2,-1.1 5,-0.2 -0.877 14.8 157.2 -98.4 117.2 -26.2 -19.2 -32.7 40 72 A G - 0 0 9 3,-1.9 40,-0.5 -2,-0.6 41,-0.5 -0.614 56.9 -90.9-127.4-172.7 -25.3 -18.2 -29.1 41 73 A S S S+ 0 0 37 116,-0.3 38,-0.2 -2,-0.2 41,-0.1 0.786 125.3 32.0 -72.1 -31.5 -22.8 -18.5 -26.3 42 74 A S S S- 0 0 108 1,-0.3 37,-0.6 36,-0.1 2,-0.3 0.867 128.8 -1.6 -93.1 -47.8 -24.6 -21.5 -24.8 43 75 A S E - C 0 78A 26 35,-0.2 -3,-1.9 2,-0.0 2,-0.5 -0.987 48.2-136.7-150.3 158.1 -26.2 -23.2 -27.9 44 76 A T E +AC 39 77A 0 33,-2.4 33,-1.6 -2,-0.3 2,-0.3 -0.971 38.6 168.0-115.2 109.3 -26.7 -23.2 -31.7 45 77 A R E -A 38 0A 37 -7,-2.5 -7,-2.8 -2,-0.5 2,-0.2 -0.948 29.3-123.5-129.3 149.6 -30.3 -24.1 -32.7 46 78 A T E -A 37 0A 0 29,-0.4 28,-3.1 -2,-0.3 2,-0.4 -0.531 14.5-162.2 -88.1 154.0 -32.5 -23.9 -35.9 47 79 A N E -AD 36 73A 3 -11,-1.1 -11,-2.4 26,-0.2 2,-0.5 -0.957 6.8-157.8-139.0 112.7 -35.8 -22.0 -36.3 48 80 A V E -AD 35 72A 0 24,-2.0 23,-2.4 -2,-0.4 24,-0.9 -0.852 15.1-176.2 -98.3 126.7 -38.1 -23.0 -39.2 49 81 A F E -AD 34 70A 2 -15,-2.9 -15,-1.8 -2,-0.5 2,-0.4 -0.772 15.1-142.4-117.9 162.3 -40.7 -20.3 -40.3 50 82 A L E +AD 33 69A 15 19,-2.8 19,-2.4 -2,-0.2 2,-0.3 -0.982 20.0 174.6-128.7 140.0 -43.5 -20.2 -42.9 51 83 A A E -A 32 0A 2 -19,-2.5 -19,-3.0 -2,-0.4 2,-0.5 -0.984 28.6-124.6-145.4 152.3 -44.6 -17.3 -45.1 52 84 A K E -A 31 0A 68 12,-0.4 12,-2.7 -2,-0.3 2,-0.4 -0.878 25.3-153.2-100.7 122.5 -47.1 -16.6 -48.0 53 85 A T E -AE 30 63A 0 -23,-3.1 -23,-2.0 -2,-0.5 2,-0.6 -0.820 4.5-145.2 -99.0 135.4 -45.6 -15.1 -51.2 54 86 A R E -AE 29 62A 93 8,-3.1 8,-1.2 -2,-0.4 2,-0.8 -0.897 10.7-166.8-104.3 110.6 -47.6 -12.9 -53.6 55 87 A S E +AE 28 61A 36 -27,-2.8 -27,-2.3 -2,-0.6 6,-0.2 -0.850 15.7 173.7-101.0 98.6 -46.7 -13.4 -57.3 56 88 A a E >> - E 0 60A 24 4,-1.9 4,-1.7 -2,-0.8 3,-1.0 -0.812 38.7 -96.8-104.5 145.0 -48.3 -10.5 -59.3 57 89 A P T 34 S- 0 0 59 0, 0.0 -30,-0.0 0, 0.0 -1,-0.0 -0.395 104.6 -4.6 -66.6 136.0 -47.7 -9.8 -63.1 58 90 A N T 34 S+ 0 0 181 1,-0.1 0, 0.0 -2,-0.1 0, 0.0 0.281 126.1 76.7 65.0 -5.2 -45.0 -7.2 -63.9 59 91 A K T <4 S- 0 0 159 -3,-1.0 2,-0.2 1,-0.2 -1,-0.1 0.719 86.4-148.0-100.8 -31.1 -44.7 -6.6 -60.0 60 92 A G E < -E 56 0A 40 -4,-1.7 -4,-1.9 2,-0.0 2,-0.4 -0.599 33.8 -38.1 97.2-156.5 -42.7 -9.7 -59.0 61 93 A R E +E 55 0A 65 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.946 54.2 170.2-116.8 132.7 -42.7 -11.8 -55.8 62 94 A S E -E 54 0A 31 -8,-1.2 -8,-3.1 -2,-0.4 2,-0.4 -0.997 31.0-120.3-141.9 142.0 -43.1 -10.4 -52.2 63 95 A I E -E 53 0A 7 -2,-0.3 -10,-0.2 494,-0.3 3,-0.1 -0.676 26.5-124.0 -84.0 131.3 -43.6 -12.0 -48.8 64 96 A D > - 0 0 32 -12,-2.7 3,-0.6 -2,-0.4 4,-0.4 -0.632 19.5-149.1 -71.5 116.9 -46.8 -10.9 -46.8 65 97 A P G > S+ 0 0 15 0, 0.0 3,-1.3 0, 0.0 -1,-0.2 0.912 94.7 51.3 -59.7 -42.0 -45.3 -9.6 -43.5 66 98 A D G 3 S+ 0 0 78 1,-0.2 -2,-0.0 -3,-0.1 -3,-0.0 0.707 100.1 65.9 -66.0 -23.0 -48.4 -10.7 -41.4 67 99 A S G < S+ 0 0 29 -3,-0.6 2,-0.3 -15,-0.2 -1,-0.2 0.620 71.2 115.7 -74.0 -17.3 -48.2 -14.3 -42.9 68 100 A I < + 0 0 3 -3,-1.3 2,-0.3 -4,-0.4 -17,-0.2 -0.426 41.1 165.3 -60.9 113.5 -44.8 -14.9 -41.1 69 101 A Q E -D 50 0A 68 -19,-2.4 -19,-2.8 -2,-0.3 2,-0.3 -0.998 34.9-128.3-138.8 131.4 -45.4 -17.8 -38.6 70 102 A L E -D 49 0A 35 473,-2.4 -21,-0.3 -2,-0.3 3,-0.1 -0.604 19.7-175.6 -77.7 134.2 -42.9 -20.0 -36.7 71 103 A I E - 0 0 33 -23,-2.4 2,-0.3 1,-0.3 -1,-0.1 0.896 63.7 -14.6 -95.0 -54.0 -43.6 -23.8 -37.1 72 104 A R E -D 48 0A 148 -24,-0.9 -24,-2.0 0, 0.0 2,-0.5 -0.987 53.7-135.1-154.1 143.4 -41.0 -25.4 -34.7 73 105 A E E -D 47 0A 56 -2,-0.3 -26,-0.2 -26,-0.2 -24,-0.0 -0.886 35.1-124.5-101.1 126.1 -37.8 -24.4 -32.9 74 106 A G - 0 0 5 -28,-3.1 2,-0.1 -2,-0.5 -1,-0.1 0.070 30.3 -77.9 -64.8 173.2 -34.9 -26.9 -33.2 75 107 A K - 0 0 111 1,-0.1 2,-0.8 -30,-0.1 -29,-0.4 -0.393 49.4 -99.6 -75.2 149.7 -32.8 -28.8 -30.6 76 108 A R + 0 0 155 -31,-0.1 -31,-0.2 -2,-0.1 2,-0.2 -0.626 47.3 179.6 -76.5 102.4 -29.9 -27.1 -28.7 77 109 A F E -C 44 0A 45 -33,-1.6 -33,-2.4 -2,-0.8 43,-0.0 -0.512 42.6 -62.9 -96.5 168.2 -26.6 -28.2 -30.3 78 110 A T E -C 43 0A 83 -35,-0.2 -35,-0.2 -2,-0.2 -1,-0.1 -0.242 60.7-110.5 -55.7 133.3 -23.0 -27.1 -29.3 79 111 A G >> - 0 0 0 -37,-0.6 4,-1.3 -38,-0.2 3,-0.5 -0.202 17.2-116.7 -65.4 155.3 -22.3 -23.3 -29.6 80 112 A L H 3> S+ 0 0 8 -40,-0.5 4,-1.6 1,-0.2 5,-0.2 0.731 113.5 64.0 -63.1 -26.7 -19.9 -21.7 -32.2 81 113 A R H 3> S+ 0 0 27 -41,-0.5 4,-1.6 1,-0.2 -1,-0.2 0.898 104.5 45.0 -63.3 -43.4 -17.7 -20.5 -29.3 82 114 A V H <> S+ 0 0 53 -3,-0.5 4,-2.5 2,-0.2 5,-0.2 0.837 106.5 61.2 -69.2 -37.6 -16.9 -24.2 -28.3 83 115 A V H X S+ 0 0 20 -4,-1.3 4,-0.9 1,-0.2 -2,-0.2 0.906 113.4 35.5 -55.8 -48.0 -16.3 -25.1 -32.0 84 116 A L H X S+ 0 0 5 -4,-1.6 4,-1.4 2,-0.2 -1,-0.2 0.790 113.8 58.8 -77.4 -32.7 -13.4 -22.6 -32.3 85 117 A E H X S+ 0 0 11 -4,-1.6 4,-1.1 2,-0.2 -2,-0.2 0.887 107.5 46.0 -64.0 -41.6 -12.2 -23.3 -28.7 86 118 A E H X S+ 0 0 121 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.799 110.5 54.6 -69.4 -31.5 -11.7 -27.0 -29.4 87 119 A W H X S+ 0 0 12 -4,-0.9 4,-1.5 -5,-0.2 -2,-0.2 0.787 109.8 47.3 -70.4 -31.4 -9.9 -26.0 -32.7 88 120 A L H X S+ 0 0 4 -4,-1.4 4,-0.8 2,-0.2 5,-0.3 0.703 111.3 51.0 -82.3 -24.4 -7.5 -23.7 -30.5 89 121 A D H < S+ 0 0 25 -4,-1.1 5,-0.4 3,-0.2 4,-0.2 0.844 117.7 36.9 -79.6 -38.4 -6.9 -26.6 -28.0 90 122 A T H < S+ 0 0 104 -4,-1.7 -2,-0.2 3,-0.2 -3,-0.1 0.850 129.3 29.7 -82.2 -41.8 -6.0 -29.2 -30.6 91 123 A Y H < S+ 0 0 82 -4,-1.5 -3,-0.2 -5,-0.2 -2,-0.1 0.564 135.4 24.0-100.7 -10.7 -4.1 -27.0 -33.1 92 124 A A S < S- 0 0 23 -4,-0.8 -3,-0.2 -5,-0.1 3,-0.1 0.485 109.6-109.5-127.6 -13.5 -2.6 -24.3 -30.9 93 125 A G > - 0 0 22 -5,-0.3 3,-2.0 -4,-0.2 -3,-0.2 0.242 29.8 -83.9 91.0 147.6 -2.4 -26.0 -27.5 94 126 A K G > S+ 0 0 137 -5,-0.4 3,-0.8 1,-0.3 -1,-0.1 0.608 118.6 75.0 -56.1 -18.3 -4.4 -25.5 -24.2 95 127 A D G >> + 0 0 62 1,-0.2 4,-2.4 -3,-0.1 3,-1.5 0.581 66.0 98.4 -71.6 -13.4 -2.0 -22.6 -23.2 96 128 A W G <4 S+ 0 0 50 -3,-2.0 5,-0.3 1,-0.3 -1,-0.2 0.681 72.1 63.7 -47.3 -31.7 -3.8 -20.3 -25.8 97 129 A E G <4 S+ 0 0 42 -3,-0.8 -1,-0.3 3,-0.1 -2,-0.1 0.830 126.8 5.9 -65.8 -37.8 -6.0 -18.6 -23.1 98 130 A S T <4 S+ 0 0 93 -3,-1.5 -2,-0.2 1,-0.1 -3,-0.1 0.770 117.2 72.6-112.7 -51.1 -2.9 -17.1 -21.2 99 131 A R S < S- 0 0 168 -4,-2.4 2,-0.3 1,-0.1 -1,-0.1 -0.508 90.6-108.3 -71.1 132.2 0.2 -17.8 -23.3 100 132 A P - 0 0 129 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.481 36.9-168.3 -69.8 127.1 0.5 -15.6 -26.5 101 133 A V - 0 0 49 -2,-0.3 2,-0.2 -5,-0.3 -9,-0.0 -0.963 23.8-115.9-118.3 132.3 -0.0 -17.7 -29.7 102 134 A D - 0 0 82 -2,-0.4 4,-0.4 1,-0.1 3,-0.1 -0.485 14.0-155.1 -68.4 128.6 0.7 -16.4 -33.3 103 135 A A S > S+ 0 0 8 -2,-0.2 3,-0.5 1,-0.2 4,-0.3 0.778 92.0 61.6 -74.0 -31.4 -2.4 -16.1 -35.5 104 136 A R G > S+ 0 0 173 1,-0.2 3,-1.0 2,-0.2 -1,-0.2 0.836 99.7 55.5 -63.7 -37.2 -0.4 -16.4 -38.8 105 137 A L G > S+ 0 0 89 1,-0.2 3,-0.6 2,-0.1 -1,-0.2 0.706 101.6 57.9 -69.0 -24.5 0.8 -20.0 -37.7 106 138 A L G X S+ 0 0 2 -3,-0.5 3,-1.3 -4,-0.4 -1,-0.2 0.524 81.9 85.7 -84.1 -7.5 -2.9 -21.1 -37.3 107 139 A F G X S+ 0 0 116 -3,-1.0 3,-0.5 -4,-0.3 -1,-0.2 0.559 80.2 64.6 -68.9 -11.4 -3.7 -20.3 -41.0 108 140 A Q G < S+ 0 0 126 -3,-0.6 -1,-0.2 1,-0.2 -2,-0.1 0.645 92.9 61.6 -84.5 -18.4 -2.4 -23.8 -42.0 109 141 A Y G <> + 0 0 66 -3,-1.3 4,-0.8 1,-0.2 -1,-0.2 -0.040 68.2 116.9 -98.5 28.5 -5.2 -25.5 -40.0 110 142 A V H X> S+ 0 0 46 -3,-0.5 4,-1.6 1,-0.2 3,-1.2 0.935 73.7 48.6 -64.8 -50.0 -8.1 -23.9 -42.1 111 143 A P H 3> S+ 0 0 78 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.762 107.7 59.0 -63.9 -20.3 -9.5 -27.2 -43.6 112 144 A Q H 3> S+ 0 0 64 2,-0.2 4,-1.0 1,-0.2 -2,-0.2 0.756 105.0 48.0 -74.2 -28.3 -9.5 -28.6 -40.0 113 145 A M H - 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0 0 77 1,-0.1 4,-1.4 53,-0.0 5,-0.1 -0.429 360.0-138.1 -71.5 141.4 11.2 14.3 -42.4 1043 515 B V H > S+ 0 0 28 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.887 102.5 46.4 -66.2 -43.5 10.8 14.2 -38.6 1044 516 B E H > S+ 0 0 153 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.852 112.0 50.4 -68.7 -39.7 14.6 13.9 -37.9 1045 517 B E H > S+ 0 0 145 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.831 114.2 45.2 -67.1 -36.4 15.6 16.7 -40.3 1046 518 B L H X S+ 0 0 24 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.848 113.6 49.2 -75.1 -38.8 12.9 19.0 -38.7 1047 519 B A H X S+ 0 0 3 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.792 108.5 54.2 -70.9 -32.2 14.0 18.1 -35.1 1048 520 B E H X S+ 0 0 128 -4,-1.7 4,-0.6 2,-0.2 -1,-0.2 0.888 113.2 41.0 -68.7 -43.7 17.7 18.7 -35.9 1049 521 B A H X S+ 0 0 24 -4,-1.2 4,-1.2 1,-0.2 3,-0.4 0.854 115.2 50.2 -73.7 -39.0 17.1 22.3 -37.2 1050 522 B A H X S+ 0 0 3 -4,-1.8 4,-1.4 1,-0.2 -2,-0.2 0.767 100.8 64.1 -71.4 -28.9 14.5 23.3 -34.5 1051 523 B R H X S+ 0 0 94 -4,-1.3 4,-0.5 2,-0.2 -77,-0.3 0.819 105.1 46.0 -63.0 -36.0 16.8 22.1 -31.6 1052 524 B E H >< S+ 0 0 125 -4,-0.6 3,-0.6 -3,-0.4 -2,-0.2 0.927 114.3 44.5 -73.2 -51.2 19.4 24.8 -32.5 1053 525 B F H >< S+ 0 0 65 -4,-1.2 3,-0.6 1,-0.2 -2,-0.2 0.638 107.4 59.0 -72.6 -17.8 17.0 27.8 -32.9 1054 526 B m H 3< S+ 0 0 2 -4,-1.4 -161,-0.2 1,-0.2 -1,-0.2 0.697 99.9 56.7 -83.6 -20.8 15.0 27.0 -29.7 1055 527 B S T << S+ 0 0 44 -3,-0.6 -1,-0.2 -4,-0.5 -2,-0.1 0.118 83.9 133.6 -94.1 18.2 18.1 27.3 -27.4 1056 528 B S < - 0 0 45 -3,-0.6 -163,-1.2 1,-0.1 2,-0.1 -0.412 58.7-111.7 -73.4 144.1 18.7 30.9 -28.7 1057 529 B E B l 893 0O 179 -165,-0.1 -163,-0.2 -2,-0.1 -1,-0.1 -0.360 360.0 360.0 -74.2 154.0 19.5 33.8 -26.4 1058 530 B V 0 0 122 -165,-1.3 -164,-0.1 -2,-0.1 -1,-0.1 0.998 360.0 360.0 -67.1 360.0 17.1 36.7 -25.8 1059 ! 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 1060 546 B G 0 0 92 0, 0.0 2,-0.3 0, 0.0 -24,-0.1 0.000 360.0 360.0 360.0 170.3 21.2 33.8 -36.9 1061 547 B E + 0 0 178 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.968 360.0 150.4-147.0 125.7 19.4 37.1 -36.0 1062 548 B Q - 0 0 104 -2,-0.3 2,-0.1 -26,-0.0 0, 0.0 -0.965 34.5-123.7-156.7 139.6 15.6 37.7 -35.3 1063 549 B K - 0 0 189 -2,-0.3 2,-0.3 1,-0.1 -2,-0.0 -0.412 29.7-109.8 -82.2 157.9 13.6 40.2 -33.2 1064 550 B L + 0 0 69 -2,-0.1 2,-0.3 -158,-0.1 -156,-0.1 -0.729 43.6 153.8 -94.5 138.6 11.0 39.4 -30.5 1065 551 B N >> - 0 0 61 -2,-0.3 3,-1.4 -162,-0.0 4,-1.2 -0.919 56.7 -93.0-151.5 170.6 7.2 39.9 -30.8 1066 552 B S T 34 S+ 0 0 49 -162,-0.3 4,-0.2 -2,-0.3 -161,-0.0 0.701 123.3 49.5 -60.4 -26.9 3.9 38.5 -29.5 1067 553 B L T 34 S+ 0 0 72 1,-0.1 -1,-0.3 2,-0.1 -164,-0.0 0.371 113.1 46.1 -95.3 0.8 3.6 36.0 -32.4 1068 554 B N T X4 S+ 0 0 37 -3,-1.4 3,-1.0 2,-0.1 4,-0.3 0.626 89.6 73.4-118.6 -20.2 7.2 34.6 -32.0 1069 555 B F T 3< S+ 0 0 4 -4,-1.2 -177,-0.4 1,-0.2 3,-0.3 0.783 104.4 41.6 -68.7 -28.8 7.8 33.8 -28.3 1070 556 B D T 3> S+ 0 0 35 -4,-0.2 4,-0.8 1,-0.2 3,-0.5 0.132 84.3 104.2-102.6 16.7 5.5 30.7 -28.3 1071 557 B L H <> S+ 0 0 7 -3,-1.0 4,-1.9 1,-0.2 3,-0.2 0.807 73.5 59.0 -67.6 -33.7 6.8 29.4 -31.7 1072 558 B m H > S+ 0 0 2 -182,-0.4 4,-1.7 -3,-0.3 -1,-0.2 0.753 100.5 56.1 -67.6 -27.6 8.9 26.7 -30.1 1073 559 B K H > S+ 0 0 12 -3,-0.5 4,-0.8 -183,-0.3 -1,-0.2 0.815 112.4 42.4 -71.4 -33.5 5.8 25.1 -28.4 1074 560 B T H X S+ 0 0 2 -4,-0.8 4,-1.8 -3,-0.2 -2,-0.2 0.785 109.7 58.4 -80.4 -32.8 4.2 24.9 -32.0 1075 561 B M H X S+ 0 0 13 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.879 107.0 47.4 -62.3 -42.2 7.6 23.6 -33.4 1076 562 B A H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.798 108.6 55.1 -68.7 -34.3 7.5 20.7 -31.0 1077 563 B L H X S+ 0 0 13 -4,-0.8 4,-2.4 2,-0.2 -2,-0.2 0.887 106.1 51.3 -65.8 -42.1 3.8 20.0 -31.9 1078 564 B T H X S+ 0 0 2 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.868 112.5 46.3 -62.3 -40.9 4.8 19.7 -35.6 1079 565 B V H X S+ 0 0 0 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.913 112.5 50.7 -67.1 -46.2 7.6 17.2 -34.7 1080 566 B S H X S+ 0 0 0 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.876 110.2 48.6 -60.0 -44.7 5.2 15.2 -32.4 1081 567 B L H X S+ 0 0 12 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.893 112.9 47.2 -64.5 -43.1 2.4 14.9 -35.1 1082 568 B L H X S+ 0 0 10 -4,-1.6 4,-1.1 1,-0.2 -1,-0.2 0.764 107.8 57.7 -68.6 -29.3 4.9 13.7 -37.8 1083 569 B R H X S+ 0 0 104 -4,-1.6 4,-1.4 1,-0.2 -1,-0.2 0.865 108.7 44.7 -68.4 -39.6 6.4 11.2 -35.3 1084 570 B H H X S+ 0 0 27 -4,-1.5 4,-1.0 2,-0.2 -2,-0.2 0.704 107.0 60.9 -76.9 -22.5 2.9 9.6 -34.9 1085 571 B M H < S+ 0 0 7 -4,-1.0 -2,-0.2 2,-0.2 -1,-0.2 0.814 111.7 38.4 -71.4 -33.9 2.4 9.7 -38.7 1086 572 B A H < S+ 0 0 46 -4,-1.1 -2,-0.2 1,-0.1 -1,-0.2 0.765 110.6 59.9 -85.5 -32.5 5.5 7.4 -39.2 1087 573 B A H < S+ 0 0 78 -4,-1.4 -2,-0.2 -5,-0.1 -3,-0.1 0.731 92.7 87.3 -68.0 -27.3 4.8 5.2 -36.1 1088 574 B G S < S- 0 0 11 -4,-1.0 -77,-0.2 2,-0.2 -76,-0.1 -0.177 96.1 -99.8 -71.8 166.1 1.4 4.1 -37.5 1089 575 B E S S+ 0 0 145 -79,-0.4 2,-0.3 -78,-0.3 -78,-0.1 0.847 106.1 31.0 -52.5 -45.7 0.7 1.2 -39.9 1090 576 B N S S- 0 0 50 -80,-0.3 -75,-0.4 -5,-0.0 -2,-0.2 -0.926 70.6-148.6-123.2 145.6 0.5 3.4 -43.0 1091 577 B Q - 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0 0 15 9,-0.4 8,-0.5 -2,-0.3 9,-0.4 -0.639 33.8-118.0 -79.0 127.4 -3.6 25.9 -53.3 1102 588 B A - 0 0 67 -2,-0.4 5,-0.2 6,-0.2 -1,-0.1 -0.364 28.4-137.7 -65.7 139.7 -2.7 27.3 -56.8 1103 589 B G > - 0 0 14 4,-0.5 3,-0.8 3,-0.3 -1,-0.1 -0.419 24.6-102.7 -93.8 171.6 -5.4 27.3 -59.4 1104 590 B P T 3 S+ 0 0 94 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.814 117.5 63.8 -66.2 -27.1 -5.3 26.4 -63.1 1105 591 B D T 3 S- 0 0 149 2,-0.3 2,-1.7 1,-0.1 -2,-0.0 -0.159 118.9-107.0 -89.2 40.9 -5.3 30.1 -64.1 1106 592 B G S < S+ 0 0 53 -3,-0.8 -3,-0.3 -2,-0.4 -1,-0.1 -0.531 96.8 71.9 76.4 -76.8 -1.9 30.6 -62.4 1107 593 B K S S- 0 0 168 -2,-1.7 -4,-0.5 -5,-0.2 -2,-0.3 -0.282 96.8 -89.5 -69.8 153.4 -2.9 32.6 -59.3 1108 594 B P - 0 0 67 0, 0.0 -6,-0.2 0, 0.0 -1,-0.1 -0.474 26.3-150.8 -72.8 137.4 -4.9 30.9 -56.4 1109 595 B L S S- 0 0 37 -8,-0.5 -464,-2.7 1,-0.2 2,-0.3 0.885 72.2 -0.2 -70.2 -46.8 -8.7 30.9 -56.6 1110 596 B A S S- 0 0 4 -9,-0.4 -9,-0.4 -466,-0.2 -1,-0.2 -0.996 73.9-101.7-151.2 150.7 -9.5 30.9 -52.8 1111 597 B D - 0 0 30 -2,-0.3 2,-0.4 -11,-0.1 5,-0.3 -0.402 47.4 -98.7 -71.6 143.9 -7.8 30.8 -49.3 1112 598 B L S S+ 0 0 17 -13,-1.2 2,-0.3 -2,-0.1 -1,-0.1 -0.521 77.9 85.8 -71.0 118.5 -7.6 27.5 -47.4 1113 599 B G S S- 0 0 5 -2,-0.4 4,-0.3 -333,-0.1 -329,-0.3 -0.919 92.0 -66.1-178.8-159.9 -10.4 27.2 -44.7 1114 600 B W S > S+ 0 0 8 -2,-0.3 4,-1.6 1,-0.1 5,-0.2 0.576 105.0 88.7 -88.9 -14.5 -14.0 26.2 -44.1 1115 601 B Q H > S+ 0 0 15 1,-0.2 4,-1.5 2,-0.2 3,-0.3 0.890 90.4 40.3 -49.6 -57.7 -15.4 29.0 -46.4 1116 602 B V H > S+ 0 0 2 -5,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.825 112.1 59.2 -65.2 -34.5 -15.3 27.2 -49.8 1117 603 B G H > S+ 0 0 0 -4,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.833 105.2 48.0 -62.4 -37.9 -16.6 24.0 -48.0 1118 604 B V H X S+ 0 0 3 -4,-1.6 4,-0.8 -3,-0.3 -1,-0.2 0.871 111.1 51.3 -71.6 -39.5 -19.8 25.8 -46.8 1119 605 B I H >X S+ 0 0 0 -4,-1.5 4,-3.2 1,-0.2 3,-1.3 0.973 113.8 43.3 -60.2 -56.0 -20.4 27.3 -50.3 1120 606 B L H 3X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.3 5,-0.3 0.761 102.7 68.7 -60.5 -31.1 -20.1 23.8 -52.0 1121 607 B H H 3< S+ 0 0 27 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.787 119.8 19.5 -59.2 -30.7 -22.2 22.2 -49.1 1122 608 B H H << S+ 0 0 26 -3,-1.3 3,-0.4 -4,-0.8 7,-0.2 0.760 123.1 57.6-106.6 -40.6 -25.3 24.2 -50.5 1123 609 B V H < S+ 0 0 5 -4,-3.2 -485,-0.3 1,-0.2 -3,-0.2 0.873 98.2 58.7 -60.5 -47.4 -24.1 25.0 -54.2 1124 610 B L S < S+ 0 0 5 -4,-1.8 2,-1.9 1,-0.2 -1,-0.2 0.772 83.4 84.2 -58.1 -32.5 -23.5 21.4 -55.3 1125 611 B F > - 0 0 28 -3,-0.4 4,-2.8 -5,-0.3 5,-0.2 -0.565 66.8-172.6 -76.3 80.7 -27.2 20.3 -54.6 1126 612 B T H > S+ 0 0 54 -2,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.792 76.5 44.2 -43.4 -49.5 -28.4 21.6 -58.1 1127 613 B E H > S+ 0 0 137 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.902 118.3 41.3 -69.5 -45.9 -32.2 21.1 -57.4 1128 614 B E H > S+ 0 0 66 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.859 110.9 56.5 -71.3 -40.4 -32.3 22.5 -53.8 1129 615 B W H X S+ 0 0 5 -4,-2.8 4,-3.1 -7,-0.2 5,-0.4 0.853 105.1 52.2 -59.9 -41.0 -29.9 25.5 -54.5 1130 616 B G H X>S+ 0 0 16 -4,-1.2 4,-1.2 -5,-0.2 5,-0.7 0.839 110.3 47.8 -64.1 -37.6 -32.2 26.8 -57.3 1131 617 B R H <5S+ 0 0 141 -4,-0.9 -1,-0.2 3,-0.2 -2,-0.2 0.733 121.0 37.5 -74.9 -27.2 -35.3 26.8 -55.1 1132 618 B T H <5S+ 0 0 40 -4,-1.3 -2,-0.2 -3,-0.1 -3,-0.2 0.797 128.5 27.2 -95.1 -37.5 -33.4 28.6 -52.2 1133 619 B A H <5S+ 0 0 2 -4,-3.1 -3,-0.2 -5,-0.1 -2,-0.1 0.662 130.4 32.5-102.1 -22.6 -31.1 31.1 -54.1 1134 620 B Y T <5S+ 0 0 50 -4,-1.2 2,-1.0 -5,-0.4 -3,-0.2 0.626 104.8 70.5-109.4 -19.3 -33.0 31.8 -57.4 1135 621 B E < 0 0 144 -5,-0.7 -1,-0.2 1,-0.2 -4,-0.0 -0.691 360.0 360.0-100.5 75.3 -36.7 31.5 -56.2 1136 622 B A 0 0 124 -2,-1.0 -1,-0.2 -3,-0.1 -2,-0.1 0.445 360.0 360.0-138.9 360.0 -36.9 34.7 -54.1